OPTIMADE-PropertyDefinitions-0.1.0/0000775000200400020040000000000015112031047016602 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/dist.ini0000644000200400020040000000067515112031047020254 0ustar andriusandriusname = OPTIMADE-PropertyDefinitions author = Andrius Merkys license = BSD copyright_holder = Andrius Merkys copyright_year = 2024-2025 version = 0.1.0 [@Filter] -bundle = @Basic -remove = License [AutoMetaResources] homepage = https://search.cpan.org/dist/%{dist} repository.github = user:merkys bugtracker.github = user:merkys [MetaJSON] [OurPkgVersion] [Prereqs] YAML = 0 [Prereqs / Test] -phase = test YAML = 0 OPTIMADE-PropertyDefinitions-0.1.0/LICENSE0000644000200400020040000000270715112031047017613 0ustar andriusandriusCopyright (c) 2024-2025 Andrius Merkys All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: 1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. 2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. 3. Neither the name of the University nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE REGENTS AND CONTRIBUTORS ``AS IS'' AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE REGENTS OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. OPTIMADE-PropertyDefinitions-0.1.0/Changes0000644000200400020040000000005115112031047020067 0ustar andriusandrius0.1.0 2025-11-13 - Initial release. OPTIMADE-PropertyDefinitions-0.1.0/README0000644000200400020040000000051215112031047017456 0ustar andriusandriusThis archive contains the distribution OPTIMADE-PropertyDefinitions, version 0.1.0: Top-level Property Definition class This software is Copyright (c) 2024-2025 by Andrius Merkys. This is free software, licensed under: The (three-clause) BSD License This README file was generated by Dist::Zilla::Plugin::Readme v6.012. OPTIMADE-PropertyDefinitions-0.1.0/externals/0000775000200400020040000000000015112031047020607 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/0000775000200400020040000000000015112031047022011 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/0000775000200400020040000000000015112031047023434 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/tests/0000775000200400020040000000000015112031047024576 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/tests/example-structures.optimade0000644000200400020040000000266515112031047032205 0ustar andriusandrius{ "data": { "attributes": { "chemical_formula_descriptive": "As2Cd4I3P2", "dimension_types": [ 1, 1, 1 ], "elements": [ "As", "Cd", "I", "P" ], "lattice_vectors": [ [ 12.955, 0.0, 0.0 ], [ 0.0, 12.955, 0.0 ], [ 0.0, 0.0, 12.955 ] ], "nelements": 4, "nperiodic_dimensions": 3, "structure_features": [] }, "id": "747", "type": "structures" }, "meta": { "api_version": "1.0.0", "data_available": 68566, "data_returned": 1, "implementation": { "homepage": "https://example.com/", "name": "example", "version": "1.0.0" }, "more_data_available": false, "provider": { "description": "Example provider", "name": "exmpl", "prefix": "exmpl" }, "query": { "representation": "v1/structures/747" }, "time_stamp": "2023-03-16T22:44:00.531930" } } OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/README.md0000644000200400020040000004247115112031047024721 0ustar andriusandrius# OPTIMADE Property Definitions and other schemas ## OPTIMADE Property Definitions The section `Property Definitions` of the OPTIMADE specification defines an output format-agnostic way to declare properties that can be communicated via OPTIMADE to describe physical quantities and related data. The format uses a subset of JSON Schema extended with OPTIMADE-specific identifiers, as allowed by the JSON Schema standard with identifiers prefixed with `x-optimade-`. Hence, they can be used as schemas to validate data items using standard tools for JSON Schema. As described in more detail below, the OPTIMADE consortium publishes the current and past standardized sets of Property Definitions, with an index available at the following URL: - https://schemas.optimade.org/defs/ Anyone can, of course, publish their own sets of Property Definitions under any URL they like. See [Creating database-specific definitions](#creating-database-specific-definitions) and [Contributing standard definitions to OPTIMADE](#contributing-standard-definitions-to-optimade) below for more information. ### Using the definitions The primary purpose of Property Definitions is to include them in the info endpoint responses in an implementation of the OPTIMADE API to describe precisely what data a database makes available. For example, the URI IDs in the definitions may tell a client interacting with two databases that these databases communicate the same property in the same way. However, they can also be used in other contexts since they provide stable URI IDs that unambiguously define both a data format and the meaning of the data represented using that format. These URIs are user-friendly in the sense they are resolvable URLs that give a human-readable definition of the defined entity. A researcher who uploads research data in, say, CSV format, to an online data repository (e.g., figshare) can use the Property Definition URIs and/or the JSON definition files to unambiguously communicate the format and content of the cells in the CSV file. The definitions can be referenced, for example, by using the stable URIs as column headers in the CSV file or by using the definition names as column headers and giving the full URIs in accompanying information (e.g., an attached README file). The full JSON-formatted definition files can also be included in the upload to make the upload completely self-contained. Instead of using individual URIs or definition files for each property, it is also possible to instead give the URI to an OPTIMADE entry type or standard definition, which groups multiple Property Definitions. Since the JSON representations of the definitions always are non-referential (i.e., they contain all the information inline with no references to external definitions), it is safe to include a single JSON file for each entity being referenced (i.e., each property, entry type, or just the one file to reference any set of properties part of the OPTIMADE standard). ### Physical unit definitions As part of standardizing property definitions, OPTIMADE also includes stable URIs for physical units (see below). Similarly to the possible use of Property Definitions outside of the OPTIMADE API, the unit definitions may be useful for referring to specific units in other contexts unambiguously. For example, the stable URIs and/or the JSON definition files can be used in software to carefully communicate exactly the definition of the units of the values being returned. ## Property Definitions in the OPTIMADE repository The OPTIMADE repository: - https://github.com/Materials-Consortia/OPTIMADE contains a subdirectory `schemas/src/defs/`, followed by version number directories, under which source files from which the Property Definitions for the standard OPTIMADE properties are generated. The primary source files for properties reside under `properties`. They are organized with one subdirectory per category, of which we presently use: - `core` for the most core Property Definitions of the OPTIMADE API protocol. - `optimade` for property definitions integral to the OPTIMADE standard. The `optimade` category is further partitioned using subdirectories according to OPTIMADE entry types (which correspond to endpoints in the REST API). In addition, common definitions reused across the definition source files are sorted in a special subdirectory, `common`. These directories contain YAML-formatted property definition source files with `.yaml` extensions. The source files are processed with the tool `tests/scripts/process_propdefs.py` into standards-conformant JSON files where inline copies of the corresponding definitions replace references to other files to adhere to the OPTIMADE standard format for Property Definitions. The following makefile target processes all Property Definitions (and other schema definitions, see below) into the output directory `schemas/output`: ``` make schemas ``` This command also generates documentation in markdown and HTML meant to be kept alongside the JSON definition files. Once the generation is complete, the property definitions are found under `schemas/output/defs/` using the same directory structure as under `schemas/src`. You can browse the definitions by starting a browser with the generated index page, e.g.: ``` firefox schemas/output/defs/index.html ``` The generation places extension-less HTML files alongside the JSON definition files, which this index page links to. This should work with most browsers. The `make schemas` commands take two optional parameters: - `schemas_html_pretty=true` creates html output that is arguably styled more nicely. - `schemas_html_ext=true` creates files with `.html` extensions also for the HTML files that are meant to be served without extensions. To generate the files with these extensions may be useful for some hosting solutions (e.g., GitHub pages) that automatically forward URLs without extensions. Unless the files are served using such a solution, links to the definitions (e.g., from the index page) will be broken. ### Stable Property Definition URIs Properties standardized by OPTIMADE are given stable URIs that are URLs with the following format: ``` https://schemas.optimade.org/defs//properties/// ``` where: - `` is the minor version of the property on format "vMAJOR.MINOR", e.g. "v1.2", which is the minor OPTIMADE version in which the property was created or functionally changed. Functionally changed means that the definition of the property is not just amended or clarified, but altered in a way that changes its interpretation. In accordance with [semantic versioning](https://semver.org/), if only the minor version number is increased, the change MUST be backward compatible (e.g., the changed definition may add a non-mandatory field to a dictionary.) - `` is a particular namespace for the Property Definitions. The namespace `optimade` is used for property definitions integral to the OPTIMADE standard. - `` is the OPTIMADE entry type that the property belongs to in OPTIMADE. - `` is an identifier of lowercase Latin characters and the underscore character identifying the property. The URIs are URLs that can be retrieved to fetch a human-readable description of the definition in HTML format. Every URI can also be suffixed with the extension `.json` to obtain the machine-readable JSON definition file. These URIs are stable in the sense that they will always refer to a single specific definition. However, the definition description that the URL resolves to may be amended and clarified in ways that do not functionally alter the definition. When this happens, the version number in the definition file (in the field `x-optimade-definition -> version`) will be updated to match the corresponding release of OPTIMADE. The URI (and thus the `$id` in the JSON definition) will be retained as long as the definition functionally remains the same. Historical versions of the definitions are retained unmodified under URLs using the following format: ``` https://schemas.optimade.org/releases///properties/// ``` where `` refers to a version string on the format "vMAJOR.MINOR.PATCH", e.g., "v1.2.0" referring to the full version number of the definition and `` still refers to the format "vMAJOR.MINOR". These URLs collect all historical versions corresponding to the OPTIMADE release with the same version. The double URL segments for versions may look redundant. However, they take this form to keep a complete historical record that preserves any amendments and clarifications of the older definition files. ### Entry type definitions In OPTIMADE, an entry type consists of a set of property definitions. Machine-readable definition of these entry types are provided analgous to the property definitions with stable URIs that are URLs and historical URLs with the following formats: ``` https://schemas.optimade.org/defs//entrytypes// https://schemas.optimade.org/releases//entrytypes// ``` The corresponding source files are found in the OPTIMADE repository in `schemas/output/defs//entrytypes`. ### Standards definitions A set of entry types can be bundled to define a standard. There is presently only a single standard published by OPTIMADE, which is provided with a stable URI and historical URL with the following formats: ``` https://schemas.optimade.org/defs//standards/optimade https://schemas.optimade.org/releases//standards/optimade ``` (In the future, OPTIMADE may use this feature for implementations to be able to indicate the support of data beyond what is included in the core optimade standard.) ### Unit, constant, and prefix definitions To support the definition of properties, OPTIMADE also provide definition files for units, constants, and prefixes under the corresponding subdirectories of `schemas/src/defs/`. The format for these definitions is described in the subsection `Physical Units in Property Definitions` of `Property Definitions` in the OPTIMADE specification. These are also given stable URIs using the following URLs: ``` https://schemas.optimade.org/defs//units//// https://schemas.optimade.org/defs//constants//// https://schemas.optimade.org/defs//prefixes// ``` They are distinguished according to the following conventions: - A unit defines a reference for expressing the magnitude of a quantity. - A constant defines a known measurement, i.e., a specific dimensioned or dimensionless quantity, possibly along with a specified standard uncertainty. - A prefix defines a dimensionless constant whose symbols are commonly used prepended to unit symbols to express a correspondingly rescaled unit. For example, the Bohr magneton *unit* (defined, e.g., in Rev. Mod. Phys 41, 375 (1969)) refers to the reference magnetic moment used to express a measure in multiples of the magnetic dipole moment of an electron which orbits an atom in the orbit of lowest energy in the Bohr model. Various experimentally determined relations of this magnetic moment to the SI base units are represented as constants in OPTIMADE. For example, one such Bohr magneton constant is the "2018 CODATA recommended value" published in Rev. Mod. Phys. 93, 025010 (2021), which is 9.2740100783(28) x 10^(-24) J/T. Another is the "1973 CODATA recommended value" published in J. Phys. Chem. Ref. Data 2, 663 (1973), which is 9.274078(36) x 10^(-24) J/T. The Bohr magneton constants can be used to express an approximate relationship between the Bohr magneton unit and the SI base units. Analogous to how property definitions are grouped into entry types and standards, unit, constant and prefix definitions are grouped into unit systems. Unit systems are accssible using URIs and historical URLs with the following formats: ``` https://schemas.optimade.org/defs//unitsystems// https://schemas.optimade.org/releases//unitsystems// ``` ## Versioning of definitions The property definition URIs are meant to be kept as static as possible to improve interoperability. The properties standardized by OPTIMADE use OPTIMADE version numbers. The URIs omit the PATCH version number since it is not possible for a definition to functionally change between patch releases. The exact Property Definition files released as part of a specific version of OPTIMADE are found using the URLs with the version number on the format "vMAJOR.MINOR.PATCH". For example, a full list of the Property Definitions (including their version numbers) that are part of OPTIMADE release v1.2.0 is found at: ``` https://schemas.optimade.org/properties/v1.2.0/index.html ``` ## JSON-Schema for OPTIMADE response validation The definition files under `schemas/src/defs` are used in combination with supplied [JSON Schema](https://json-schema.org/) schemas for [JSON:API](https://jsonapi.org/) to generate JSON Schema files that can validate OPTIMADE responses. The corresponding source file is found in `schemas/src/json-schema//optimade.yaml`. After generating the schemas with `make schemas`, the generated JSON Schema is found in `schemas/output/json-schema//optimade.json`. ## JSON-LD definitions The definition files under `schemas/src/defs` are also used to generate definition files for [JSON-LD](https://json-ld.org/) that can be used to annotate JSON:API-formatted responses from OPTIMADE so that the containing data is compatible with JSON-LD. The corresponding source file is found under `schemas/src/json-ld/`. After generating the schemas with `make schemas` the generated JSON-LD context and supporting files are found under `schemas/output/json-schema/`. The JSON-LD context is hosted at: ``` https://schemas.optimade.org/json-ld//optimade.json ``` For example, if a standard JSON:API-formatted OPTIMADE v1.2 response includes a top-level field `"@context": "https://schemas.optimade.org/json-ld/v1.2/optimade.json"`, the resulting response will be parsable using standard JSON-LD tools. To generate JSON-LD contexts that include database-specific properties, see [Creating database-specific definitions](#creating_database_specific_definitions) below. ## Creating database-specific definitions Database providers may want to use the OPTIMADE repository framework for property definitions to generate their own definition files for database-specific properties. There is a repository provided via OPTIMADE that contains example files for this: - https://github.com/Materials-Consortia/optimade-property-tools Please see the instructions provided in the README.md file of that repository. ## Contributing standard definitions to OPTIMADE To propose new definitions, or modifications to existing definitions: - Clone the OPTIMADE repository from GitHub. - Compose or edit the YAML files for the definitions under `schemas/src`. The format is described in the OPTIMADE standard. You can also look at the files in `schemas/example` as examples. - Execute `make schemas` to process them info `schemas/output`. If you want to integrate these definitions into the OPTIMADE standard: - Decide what namespace to use and ensure your definition files are placed in appropriate directories under `schemas/src/defs/`. For proporties to be included in the central part of the OPTIMADE standard, use `optimade` for ``. - Edit the `$id` fields to use the corresponding locations under `https://schemas.optimade.org/`. - Make a GitHub pull request from your repository to the `develop` OPTIMADE repository branch. When the pull request is merged, the properties will become part of the next release of the OPTIMADE standard and published under `https://schemas.optimade.org/properties/` ## Updating schemas.optimade.org (for OPTIMADE maintainers) This is the workflow to update the schemas at `https://schemas.optimade.org/`: - Make sure to have cloned the OPTIMADE main and schema repositories. - Execute in the main OPTIMADE repository: ``` make clean make schemas schemas_html_pretty=true schemas_html_ext=true ``` - From the OPTIMADE repository execute the following command to see what files are about to be uploaded and modified in the schemas repository: ``` rsync -ia --no-t --checksum --dry-run schemas/output/ /path/to/repo/for/schemas/ | tests/scripts/filter_rsync_itemize_output.sh ``` Be careful to include the trailing slash on `schemas/output/`. The arguments `--no-t --checksum` makes sure to only update files only if the contents differ (not if only the modification time is different because the files have been regenerated). You should see a new release directory being uploaded and only modified files under `defs` for the definitions we have amended or clarified since the previous release, and the occasional update of a version symlink. Check that the output matches your expectations. - If all looks well: ``` rsync -av --no-t --checksum schemas/output/ /path/to/repo/for/schemas/ ``` - Check that the changes look reasonable also from the perspective of git: ``` cd /path/to/repo/for/schemas/ git status ``` - Stage, commit and push the changes to the schema repo: ``` git add . git commit -m "Update schemas for release" git push ``` OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/0000775000200400020040000000000015112031047024223 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/json-schema/0000775000200400020040000000000015112031047026432 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/json-schema/v1.2/0000775000200400020040000000000015112031047027120 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/json-schema/v1.2/optimade.yaml0000644000200400020040000000147215112031047031610 0ustar andriusandrius$schema: "https://json-schema.org/draft/2020-12/schema" $$inherit: "jsonapi.json" title: "OPTIMADE schema" description: "This is a schema for responses in the JSON output format from the OPTIMADE API. It is directly based on the schema for JSON:API." definitions: resource: oneOf: - type: "object" properties: type: const: "structures" attributes: $ref: "#endpoints/entrytypes/structures" - type: "object" properties: type: const: "files" attributes: $ref: "#endpoints/entrytypes/files" - type: "object" properties: type: const: "references" attributes: $ref: "#endpoints/entrytypes/references" endpoints: $$inherit: "/v1.2/standards/optimade" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/json-schema/v1.2/jsonapi.json0000644000200400020040000002624015112031047031460 0ustar andriusandrius{ "$schema": "http://json-schema.org/draft-06/schema#", "title": "JSON:API Schema", "description": "This is a schema for responses in the JSON:API format. For more, see http://jsonapi.org", "oneOf": [ { "$ref": "#/definitions/success" }, { "$ref": "#/definitions/failure" }, { "$ref": "#/definitions/info" } ], "definitions": { "success": { "type": "object", "required": [ "data" ], "properties": { "data": { "$ref": "#/definitions/data" }, "included": { "description": "To reduce the number of HTTP requests, servers **MAY** allow responses that include related resources along with the requested primary resources. Such responses are called \"compound documents\".", "type": "array", "items": { "$ref": "#/definitions/resource" }, "uniqueItems": true }, "meta": { "$ref": "#/definitions/meta" }, "links": { "description": "Link members related to the primary data.", "allOf": [ { "$ref": "#/definitions/links" }, { "$ref": "#/definitions/pagination" } ] }, "jsonapi": { "$ref": "#/definitions/jsonapi" } }, "additionalProperties": false }, "failure": { "type": "object", "required": [ "errors" ], "properties": { "errors": { "type": "array", "items": { "$ref": "#/definitions/error" }, "uniqueItems": true }, "meta": { "$ref": "#/definitions/meta" }, "jsonapi": { "$ref": "#/definitions/jsonapi" }, "links": { "$ref": "#/definitions/links" } }, "additionalProperties": false }, "info": { "type": "object", "required": [ "meta" ], "properties": { "meta": { "$ref": "#/definitions/meta" }, "links": { "$ref": "#/definitions/links" }, "jsonapi": { "$ref": "#/definitions/jsonapi" } }, "additionalProperties": false }, "meta": { "description": "Non-standard meta-information that can not be represented as an attribute or relationship.", "type": "object", "additionalProperties": true }, "data": { "description": "The document's \"primary data\" is a representation of the resource or collection of resources targeted by a request.", "oneOf": [ { "$ref": "#/definitions/resource" }, { "description": "An array of resource objects, an array of resource identifier objects, or an empty array ([]), for requests that target resource collections.", "type": "array", "items": { "$ref": "#/definitions/resource" }, "uniqueItems": true }, { "description": "null if the request is one that might correspond to a single resource, but doesn't currently.", "type": "null" } ] }, "resource": { "description": "\"Resource objects\" appear in a JSON:API document to represent resources.", "type": "object", "required": [ "type", "id" ], "properties": { "type": { "type": "string" }, "id": { "type": "string" }, "attributes": { "$ref": "#/definitions/attributes" }, "relationships": { "$ref": "#/definitions/relationships" }, "links": { "$ref": "#/definitions/links" }, "meta": { "$ref": "#/definitions/meta" } }, "additionalProperties": false }, "relationshipLinks": { "description": "A resource object **MAY** contain references to other resource objects (\"relationships\"). Relationships may be to-one or to-many. Relationships can be specified by including a member in a resource's links object.", "type": "object", "properties": { "self": { "description": "A `self` member, whose value is a URL for the relationship itself (a \"relationship URL\"). This URL allows the client to directly manipulate the relationship. For example, it would allow a client to remove an `author` from an `article` without deleting the people resource itself.", "$ref": "#/definitions/link" }, "related": { "$ref": "#/definitions/link" } }, "additionalProperties": true }, "links": { "type": "object", "additionalProperties": { "$ref": "#/definitions/link" } }, "link": { "description": "A link **MUST** be represented as either: a string containing the link's URL or a link object.", "oneOf": [ { "description": "A string containing the link's URL.", "type": "string", "format": "uri-reference" }, { "type": "object", "required": [ "href" ], "properties": { "href": { "description": "A string containing the link's URL.", "type": "string", "format": "uri-reference" }, "meta": { "$ref": "#/definitions/meta" } } } ] }, "attributes": { "description": "Members of the attributes object (\"attributes\") represent information about the resource object in which it's defined.", "type": "object", "patternProperties": { "^[a-zA-Z0-9](?:[-\\w]*[a-zA-Z0-9])?$": { "description": "Attributes may contain any valid JSON value." } }, "not": { "anyOf": [ {"required": ["relationships"]}, {"required": ["links"]}, {"required": ["id"]}, {"required": ["type"]} ] }, "additionalProperties": false }, "relationships": { "description": "Members of the relationships object (\"relationships\") represent references from the resource object in which it's defined to other resource objects.", "type": "object", "patternProperties": { "^[a-zA-Z0-9](?:[-\\w]*[a-zA-Z0-9])?$": { "properties": { "links": { "$ref": "#/definitions/relationshipLinks" }, "data": { "description": "Member, whose value represents \"resource linkage\".", "oneOf": [ { "$ref": "#/definitions/relationshipToOne" }, { "$ref": "#/definitions/relationshipToMany" } ] }, "meta": { "$ref": "#/definitions/meta" } }, "anyOf": [ {"required": ["data"]}, {"required": ["meta"]}, {"required": ["links"]} ], "not": { "anyOf": [ {"required": ["id"]}, {"required": ["type"]} ] }, "additionalProperties": false } }, "additionalProperties": false }, "relationshipToOne": { "description": "References to other resource objects in a to-one (\"relationship\"). Relationships can be specified by including a member in a resource's links object.", "anyOf": [ { "$ref": "#/definitions/empty" }, { "$ref": "#/definitions/linkage" } ] }, "relationshipToMany": { "description": "An array of objects each containing \"type\" and \"id\" members for to-many relationships.", "type": "array", "items": { "$ref": "#/definitions/linkage" }, "uniqueItems": true }, "empty": { "description": "Describes an empty to-one relationship.", "type": "null" }, "linkage": { "description": "The \"type\" and \"id\" to non-empty members.", "type": "object", "required": [ "type", "id" ], "properties": { "type": { "type": "string" }, "id": { "type": "string" }, "meta": { "$ref": "#/definitions/meta" } }, "additionalProperties": false }, "pagination": { "type": "object", "properties": { "first": { "description": "The first page of data", "oneOf": [ { "$ref": "#/definitions/link" }, { "type": "null" } ] }, "last": { "description": "The last page of data", "oneOf": [ { "$ref": "#/definitions/link" }, { "type": "null" } ] }, "prev": { "description": "The previous page of data", "oneOf": [ { "$ref": "#/definitions/link" }, { "type": "null" } ] }, "next": { "description": "The next page of data", "oneOf": [ { "$ref": "#/definitions/link" }, { "type": "null" } ] } } }, "jsonapi": { "description": "An object describing the server's implementation", "type": "object", "properties": { "version": { "type": "string" }, "meta": { "$ref": "#/definitions/meta" } }, "additionalProperties": false }, "error": { "type": "object", "properties": { "id": { "description": "A unique identifier for this particular occurrence of the problem.", "type": "string" }, "links": { "$ref": "#/definitions/links" }, "status": { "description": "The HTTP status code applicable to this problem, expressed as a string value.", "type": "string" }, "code": { "description": "An application-specific error code, expressed as a string value.", "type": "string" }, "title": { "description": "A short, human-readable summary of the problem. It **SHOULD NOT** change from occurrence to occurrence of the problem, except for purposes of localization.", "type": "string" }, "detail": { "description": "A human-readable explanation specific to this occurrence of the problem.", "type": "string" }, "source": { "type": "object", "properties": { "pointer": { "description": "A JSON Pointer [RFC6901] to the associated entity in the request document [e.g. \"/data\" for a primary data object, or \"/data/attributes/title\" for a specific attribute].", "type": "string" }, "parameter": { "description": "A string indicating which query parameter caused the error.", "type": "string" } } }, "meta": { "$ref": "#/definitions/meta" } }, "additionalProperties": false } } } OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/0000775000200400020040000000000015112031047025144 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/0000775000200400020040000000000015112031047025632 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/0000775000200400020040000000000015112031047030026 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/0000775000200400020040000000000015112031047031630 5ustar andriusandrius././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/common/OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/comm0000775000200400020040000000000015112031047032504 5ustar andriusandrius././@LongLink0000644000000000000000000000021700000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/common/space_group_symmetry_operation_xyz.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/comm0000644000200400020040000000347615112031047032516 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/common/space_group_symmetry_operation_xyz" title: "space group symmetry operation" x-optimade-type: "string" x-optimade-definition: label: "space_group_symmetry_operation_xyz_optimade_common" kind: "property" version: "1.2.0" format: "1.2" name: "space_group_symmetry_operation_xyz" type: - "string" description: |- A single symmetry operation. **Requirements/Conventions**: - The symmetry operation is described in Jones' faithful representation (Bradley & Cracknell, 1972: pp. 35-37), adapted for computer string notation. - The interpretation of the string MUST follow the conventions of the IUCr CIF core dictionary (IUCr, 2023). - The letters `x`, `y` and `z` that are typesetted with overbars in printed text represent coordinate values multiplied by -1 and are encoded as `-x`, `-y` and `-z`, respectively. - The syntax of the string representing a symmetry operation MUST conform to regular expressions given in the OPTIMADE specification appendix 'The Symmetry Operation String Regular Expressions'. **Bibliographic References** - Bradley, C. J. and Cracknell, A. P. (1972) The Mathematical Theory of Symmetry in Solids. Oxford, Clarendon Press (paperback edition 2010) 745 p. [ISBN 978-0-19-958258-7](https://isbnsearch.org/isbn/9780199582587>). - IUCr (2023) Core dictionary (coreCIF) version 2.4.5; data name `_space_group_symop_operation_xyz`. Available from: [https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_symop_operation_xyz.html](https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_symop_operation_xyz.html) [Accessed 2023-06-18T16:46+03:00]. examples: - "x,y,z" - "-x,y,-z" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000016400000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/common/element.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/comm0000644000200400020040000000254115112031047032506 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/common/element" title: "element" x-optimade-type: "string" x-optimade-definition: label: "element_optimade_common" kind: "property" version: "1.2.0" format: "1.2" name: "element" description: |- The chemical symbol of an element **Requirements/Conventions:** - The strings are the chemical symbols, i.e., either a single uppercase letter or an uppercase letter followed by a number of lowercase letters. x-optimade-unit: inapplicable type: - "string" maxLength: 3 enum: ["X", "H", "He", "Li", "Be", "B", "C", "N", "O", "F", "Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca", "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As", "Se", "Br", "Kr", "Rb", "Sr", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Ag", "Cd", "In", "Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "At", "Rn", "Fr", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es", "Fm", "Md", "No", "Lr", "Rf", "Db", "Sg", "Bh", "Hs", "Mt", "Ds", "Rg", "Cn", "Uut", "Uuq", "Uup", "Uuh", "Uus", "Uuo", "Nh", "Fl", "Mc", "Lv", "Ts", "Og"] ././@LongLink0000644000000000000000000000020300000000000011576 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/common/symmetry_operation_xyz.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/comm0000644000200400020040000000216615112031047032511 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/common/symmetry_operation_xyz" title: "symmetry operation" x-optimade-type: "string" x-optimade-definition: label: "symmetry_operation_xyz_optimade_common" kind: "property" version: "1.2.0" format: "1.2" name: "symmetry_operation_xyz" description: |- A symmetry operation given as general position x, y, z coordinates in algebraic form. **Requirements/Conventions:** - The symmetry operation is described by a string that gives that symmetry operation in Jones' faithful representation (Bradley & Cracknell, 1972: pp. 35-37), adapted for computer string notation. - The letters `x`, `y` and `z` that are typesetted with overbars in printed text represent coordinate values multiplied by -1 and are encoded as `-x`, `-y` and `-z`, respectively. - The syntax of the strings representing symmetry operations MUST conform to regular expressions given in appendix `The Symmetry Operation String Regular Expressions`_. x-optimade-unit: inapplicable type: - "string" maxLength: 3 ././@LongLink0000644000000000000000000000017400000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/common/chemical_symbol.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/comm0000644000200400020040000000266315112031047032513 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/common/chemical_symbol" title: "chemical symbol" x-optimade-type: "string" x-optimade-definition: label: "chemical_symbol_optimade_common" kind: "property" version: "1.2.0" format: "1.2" name: "chemical_symbol" description: |- A chemical symbol referring to an element or a non-chemical element. **Requirements/Conventions:** - Must be one of the following: - a valid chemical-element symbol, or - the special value `"X"` to represent a non-chemical element. x-optimade-unit: inapplicable examples: - "He" - "X" type: - "string" enum: ["X", "H", "He", "Li", "Be", "B", "C", "N", "O", "F", "Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca", "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As", "Se", "Br", "Kr", "Rb", "Sr", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Ag", "Cd", "In", "Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "At", "Rn", "Fr", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es", "Fm", "Md", "No", "Lr", "Rf", "Db", "Sg", "Bh", "Hs", "Mt", "Ds", "Rg", "Cn", "Uut", "Uuq", "Uup", "Uuh", "Uus", "Uuo", "Nh", "Fl", "Mc", "Lv", "Ts", "Og"] ././@LongLink0000644000000000000000000000016300000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/common/person.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/comm0000644000200400020040000000215115112031047032503 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/common/person" title: "person" x-optimade-type: "dictionary" x-optimade-definition: label: "person_optimade_common" kind: "property" version: "1.2.0" format: "1.2" name: "person" type: - "object" - "null" description: |- A dictionary with name information about a person. **Requirements/Conventions**: - The dictionary MUST adhere to the following format: - **name**: Full name of the person, REQUIRED. - **firstname**, **lastname**: Parts of the person's name, OPTIONAL. required: ["name"] properties: name: x-optimade-type: "string" x-optimade-unit: "inapplicable" type: - string firstname: x-optimade-type: "string" x-optimade-unit: "inapplicable" type: - string lastname: x-optimade-type: "string" x-optimade-unit: "inapplicable" type: - string examples: - {"name": "John Smith"} - {"name": "Arthur Dent", "firstname": "Arthur", "lastname": "Dent"} x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000020700000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/common/chemical_symbol_or_vacancy.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/comm0000644000200400020040000000315615112031047032511 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/common/chemical_symbol_or_vacancy" title: "chemical symbol or vacancy" x-optimade-type: "string" x-optimade-definition: label: "chemical_symbol_or_vacancy_optimade_common" kind: "property" version: "1.2.0" format: "1.2" name: "chemical_symbol_or_vacancy" description: |- A chemical symbol referring to an element, a non-chemical element, or a vacancy. **Requirements/Conventions:** - Must be one of the following: - a valid chemical-element symbol, or - the special value `"X"` to represent a non-chemical element, or - the special value `"vacancy"` to represent that this site has a non-zero probability of having a vacancy. x-optimade-unit: inapplicable examples: - "He" - "X" - "vacancy" type: - "string" enum: ["X", "H", "He", "Li", "Be", "B", "C", "N", "O", "F", "Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca", "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As", "Se", "Br", "Kr", "Rb", "Sr", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Ag", "Cd", "In", "Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "At", "Rn", "Fr", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es", "Fm", "Md", "No", "Lr", "Rf", "Db", "Sg", "Bh", "Hs", "Mt", "Ds", "Rg", "Cn", "Uut", "Uuq", "Uup", "Uuh", "Uus", "Uuo", "Nh", "Fl", "Mc", "Lv", "Ts", "Og"] ././@LongLink0000644000000000000000000000017100000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/common/species_name.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/comm0000644000200400020040000000076515112031047032514 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/common/species_name" title: "name of the species" x-optimade-type: "string" x-optimade-definition: label: "species_name_optimade_common" kind: "property" version: "1.2.0" format: "1.2" name: "species_name" type: - "string" description: |- The name of the species. examples: - "Na" - "Si[32982]" - "quop" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000775000200400020040000000000015112031047032546 5ustar andriusandrius././@LongLink0000644000000000000000000000021500000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/chemical_formula_descriptive.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000361415112031047032552 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/chemical_formula_descriptive" title: "descriptive chemical formula" x-optimade-type: "string" x-optimade-definition: label: "chemical_formula_descriptive_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "chemical_formula_descriptive" type: - "string" - "null" description: |- The chemical formula for a structure as a string in a form chosen by the API implementation. **Requirements/Conventions**: - The chemical formula is given as a string consisting of properly capitalized element symbols followed by integers or decimal numbers, balanced parentheses, square, and curly brackets `(`,\ `)`, `[`,\ `]`, `{`, `}`, commas, the `+`, `-`, `:` and `=` symbols. The parentheses are allowed to be followed by a number. Spaces are allowed anywhere except within chemical symbols. The order of elements and any groupings indicated by parentheses or brackets are chosen freely by the API implementation. - The string SHOULD be arithmetically consistent with the element ratios in the `chemical_formula_reduced` property. - It is RECOMMENDED, but not mandatory, that symbols, parentheses and brackets, if used, are used with the meanings prescribed by [IUPAC's Nomenclature of Organic Chemistry](https://www.qmul.ac.uk/sbcs/iupac/bibliog/blue.html). **Query examples**: - Note: the free-form nature of this property is likely to make queries on it across different databases inconsistent. - A filter that matches an exactly given formula: `chemical_formula_descriptive="(H2O)2 Na"`. - A filter that does a partial match: `chemical_formula_descriptive CONTAINS "H2O"`. examples: - "(H2O)2 Na" - "NaCl" - "CaCO3" - "CCaO3" - "(CH3)3N+ - [CH2]2-OH = Me3N+ - CH2 - CH2OH" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000021300000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/chemical_formula_anonymous.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000144615112031047032553 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/chemical_formula_anonymous" title: "anonymous chemical formula" x-optimade-type: "string" x-optimade-definition: label: "chemical_formula_anonymous_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "chemical_formula_anonymous" type: - "string" - "null" description: |- The anonymous formula is the chemical_formula_reduced, but where the elements are instead first ordered by their chemical proportion number, and then, in order left to right, replaced by anonymous symbols A, B, C, ..., Z, Aa, Ba, ..., Za, Ab, Bb, ... and so on. examples: - "A2B" - "A42B42C16D12E10F9G5" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000020000000000000011573 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/lattice_vectors.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000457715112031047032563 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/lattice_vectors" title: "lattice vectors" x-optimade-definition: label: "lattice_vectors_optimade_structures" kind: "property" version: "1.2.1" format: "1.2" name: "lattice_vectors" x-optimade-type: "list" x-optimade-dimensions: names: ["dim_lattice", "dim_spatial"] sizes: [3, 3] x-optimade-unit-definitions: - $$inherit: "/v1.2/units/si/general/angstrom" type: - "array" - "null" description: |- The three lattice vectors in Cartesian coordinates, in ångström (Å). **Requirements/Conventions**: - MUST be a list of three vectors *a*, *b*, and *c*, where each of the vectors MUST BE a list of the vector's coordinates along the x, y, and z Cartesian coordinates. (Therefore, the first index runs over the three lattice vectors and the second index runs over the x, y, z Cartesian coordinates). - For databases that do not define an absolute Cartesian system (e.g., only defining the length and angles between vectors), the first lattice vector SHOULD be set along *x* and the second on the *xy*-plane. - MUST always contain three vectors of three coordinates each, independently of the elements of property `dimension_types`. The vectors SHOULD by convention be chosen so the determinant of the `lattice_vectors` matrix is different from zero. The vectors in the non-periodic directions have no significance beyond fulfilling these requirements. - The coordinates of the lattice vectors of non-periodic dimensions (i.e., those dimensions for which `dimension_types` is `0`) MAY be given as a list of all `null` values. If a lattice vector contains the value `null`, all coordinates of that lattice vector MUST be `null`. **Explained examples**: - `[[4.0,0.0,0.0],[0.0,4.0,0.0],[0.0,1.0,4.0]]` represents a cell, where the first vector is (4, 0, 0), i.e., a vector aligned along the x axis of length 4 Å; the second vector is (0, 4, 0); and the third vector is (0, 1, 4). examples: - [[4.0,0.0,0.0],[0.0,4.0,0.0],[0.0,1.0,4.0]] x-optimade-unit: "inapplicable" items: x-optimade-type: "list" x-optimade-dimensions: names: ["dim_spatial"] sizes: [3] type: - "array" x-optimade-unit: "inapplicable" items: x-optimade-type: "float" type: - "number" x-optimade-unit: "angstrom" ././@LongLink0000644000000000000000000000017100000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/elements.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000313115112031047032544 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/elements" title: "elements" x-optimade-type: "list" x-optimade-definition: label: "elements_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "elements" x-optimade-dimensions: names: ["dim_elements"] type: - "array" - "null" description: |- The chemical symbols of the different elements present in the structure. **Requirements/Conventions**: - The strings are the chemical symbols, i.e., either a single uppercase letter or an uppercase letter followed by a number of lowercase letters. - The order MUST be alphabetical. - MUST refer to the same elements in the same order, and therefore be of the same length, as `elements_ratios`, if the latter is provided. - Note: This property SHOULD NOT contain the string "X" to indicate non-chemical elements or "vacancy" to indicate vacancies (in contrast to the field `chemical_symbols` for the species property). **Query examples**: - A filter that matches all records of structures that contain Si, Al **and** O, and possibly other elements: `elements HAS ALL "Si", "Al", "O"`. - To match structures with exactly these three elements, use `elements HAS ALL "Si", "Al", "O" AND elements LENGTH 3`. - Note: length queries on this property can be equivalently formulated by filtering on the `nelements` property directly. examples: - ['Al', 'Si', 'O'] - ['He'] x-optimade-unit: "inapplicable" items: $$inherit: "/v1.2/properties/optimade/common/element" ././@LongLink0000644000000000000000000000020000000000000011573 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/elements_ratios.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000277015112031047032554 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/elements_ratios" title: "elements ratios" x-optimade-type: "list" x-optimade-definition: label: "elements_ratios_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "elements_ratios" x-optimade-dimensions: names: ["dim_elements"] type: - "array" - "null" description: |- Relative proportions of different elements in the structure. **Requirements/Conventions**: - Composed by the proportions of elements in the structure as a list of floating point numbers. - The sum of the numbers MUST be 1.0 (within floating point accuracy) - MUST refer to the same elements in the same order, and therefore be of the same length, as `elements`, if the latter is provided. **Query examples**: - Note: Useful filters can be formulated using the set operator syntax for correlated values. However, since the values are floating point values, the use of equality comparisons is generally inadvisable. - OPTIONAL: a filter that matches structures where approximately 1/3 of the atoms in the structure are the element Al is: `elements:elements_ratios HAS ALL "Al":>0.3333, "Al":<0.3334`. examples: - [1.0] - [0.3333333333333333, 0.2222222222222222, 0.4444444444444444] x-optimade-unit: "inapplicable" items: x-optimade-type: "float" type: - "number" x-optimade-unit: "dimensionless" minimum: 0.0 maximum: 1.0 ././@LongLink0000644000000000000000000000020100000000000011574 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/species_at_sites.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000372315112031047032553 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/species_at_sites" title: "species at sites" x-optimade-type: "list" x-optimade-definition: label: "species_at_sites_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "species_at_sites" x-optimade-dimensions: names: ["dim_sites"] type: - "array" - "null" description: |- Name of the species at each site (where values for sites are specified with the same order of the property `cartesian_site_positions`). The properties of the species are found in the property `species`. **Requirements/Conventions**: - MUST have length equal to the number of sites in the structure (first dimension of the list property `cartesian_site_positions`). - Each species name mentioned in the `species_at_sites` list MUST be described in the list property `species` (i.e. for each value in the `species_at_sites` list there MUST exist exactly one dictionary in the `species` list with the `name` attribute equal to the corresponding `species_at_sites` value). - Each site MUST be associated only to a single species. **Note**: However, species can represent mixtures of atoms, and multiple species MAY be defined for the same chemical element. This latter case is useful when different atoms of the same type need to be grouped or distinguished, for instance in simulation codes to assign different initial spin states. **Explained examples**: - `["Ti","O2"]` indicates that the first site is hosting a species labeled `"Ti"` and the second a species labeled `"O2"` - `["Ac", "Ac", "Ag", "Ir"]` indicates that the first two sites contain the `"Ac"` species, while the third and fourth sites contain the `"Ag"` and `"Ir"` species, respectively. examples: - ["Ti","O2"] - ["Ac", "Ac", "Ag", "Ir"] x-optimade-unit: "inapplicable" items: $$inherit: "/v1.2/properties/optimade/common/species_name" ././@LongLink0000644000000000000000000000020500000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/nperiodic_dimensions.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000244315112031047032551 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/nperiodic_dimensions" title: "number of periodic dimensions" x-optimade-type: "integer" x-optimade-definition: label: "nperiodic_dimensions_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "nperiodic_dimensions" type: - "integer" - "null" description: |- An integer specifying the number of periodic dimensions in the structure, equivalent to the number of non-zero entries in `dimension_types`. **Requirements/Conventions**: - The integer value MUST be between 0 and 3 inclusive and MUST be equal to the sum of the items in the dimension_types property. - This property only reflects the treatment of the lattice vectors provided for the structure, and not any physical interpretation of the dimensionality of its contents. **Explained examples** - `2` should be indicated in cases where dimension_types is any of `[1, 1, 0]`, `[1, 0, 1]`, `[0, 1, 1]`. **Query examples**: - Match only structures with exactly 3 periodic dimensions: `nperiodic_dimensions=3` - Match all structures with 2 or fewer periodic dimensions: `nperiodic_dimensions<=2` examples: - 2 x-optimade-unit: "dimensionless" ././@LongLink0000644000000000000000000000020600000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/space_group_it_number.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000135215112031047032547 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/space_group_it_number" title: "space group IT number" x-optimade-type: "integer" x-optimade-definition: label: "space_group_it_number_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "space_group_it_number" type: - "integer" - "null" description: |- Space group number for the structure assigned by the International Tables for Crystallography Vol. A. **Requirements/Conventions**: - The integer value MUST be between 1 and 230. - MUST be `null` if `nperiodic_dimensions` is not equal to 3. examples: - 42 x-optimade-unit: "unapplicable" ././@LongLink0000644000000000000000000000020600000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/chemical_formula_hill.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000404315112031047032547 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/chemical_formula_hill" title: "Hill chemical formula" x-optimade-type: "string" x-optimade-definition: label: "chemical_formula_hill_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "chemical_formula_hill" type: - "string" - "null" description: |- The chemical formula for a structure in [Hill form](https://dx.doi.org/10.1021/ja02046a005) with element symbols followed by integer chemical proportion numbers. The proportion number MUST be omitted if it is 1. **Requirements/Conventions**: - The overall scale factor of the chemical proportions is chosen such that the resulting values are integers that indicate the most chemically relevant unit of which the system is composed. For example, if the structure is a repeating unit cell with four hydrogens and four oxygens that represents two hydroperoxide molecules, `chemical_formula_hill` is `"H2O2"` (i.e., not `"HO"`, nor `"H4O4"`). - If the chemical insight needed to ascribe a Hill formula to the system is not present, the property MUST be handled as unset. - Element symbols MUST have proper capitalization (e.g., `"Si"`, not `"SI"` for "silicon"). - Elements MUST be placed in [Hill order](https://dx.doi.org/10.1021/ja02046a005>), followed by their integer chemical proportion number. Hill order means: if carbon is present, it is placed first, and if also present, hydrogen is placed second. After that, all other elements are ordered alphabetically. If carbon is not present, all elements are ordered alphabetically. - If the system has sites with partial occupation and the total occupations of each element do not all sum up to integers, then the Hill formula SHOULD be handled as unset. - No spaces or separators are allowed. **Query examples**: - A filter that matches an exactly given formula is `chemical_formula_hill="H2O2"`. examples: - H2O2 x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000022400000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/space_group_symmetry_operations_xyz.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000753215112031047032555 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/space_group_symmetry_operations_xyz" title: "space group symmetry operations" x-optimade-type: "list" x-optimade-definition: label: "space_group_symmetry_operations_xyz_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "space_group_symmetry_operations_xyz" type: - "array" - "null" description: |- A list of symmetry operations given as general position x, y and z coordinates in algebraic form. **Requirements/Conventions**: - MUST be `null` if the property `nperiodic_dimensions` is equal to 0. - Each symmetry operation is described by a string that gives that symmetry operation in Jones' faithful representation (Bradley & Cracknell, 1972: pp. 35-37), adapted for computer string notation. - The letters `x`, `y` and `z` that are typesetted with overbars in printed text represent coordinate values multiplied by -1 and are encoded as `-x`, `-y` and `-z`, respectively. - The syntax of the string representing a symmetry operation MUST conform to regular expressions given in the OPTIMADE specification appendix 'The Symmetry Operation String Regular Expressions'. - The interpretation of the strings MUST follow the conventions of the IUCr CIF core dictionary (IUCr, 2023). - In particular, this property MUST explicitly provide all symmetry operations needed to generate all the atoms in the unit cell from the atoms in the asymmetric unit, for the setting used. - This symmetry operation set MUST always include the `x,y,z` identity operation. - The symmetry operations are to be applied to fractional atom coordinates. - In case only Cartesian coordinates are available, these Cartesian coordinates must be converted to fractional coordinates before the application of the provided symmetry operations. - If the symmetry operation list is present, it MUST be compatible with other space group specifications (e.g. the ITC space group number, the Hall symbol, the Hermann-Mauguin symbol) if these are present. **Notes**: - The list of space group symmetry operations applies to the whole periodic array of atoms and together with the lattice translations given in the `lattice_vectors` property provides the necessary information to reconstruct all atom site positions of the periodic material. - Thus, the symmetry operations described in this property are only applicable to material models with at least one periodic dimension. - This property is not meant to represent arbitrary symmetries of molecules, non-periodic (finite) collections of atoms or non-crystallographic symmetry. **Explained examples**: - Space group operations for the space group with ITC number 3 (H-M symbol `P 2`, extended H-M symbol `P 1 2 1`, Hall symbol `P 2y`): `["x,y,z", "-x,y,-z"]` - Space group operations for the space group with ITC number 5 (H-M symbol `C 2`, extended H-M symbol `C 1 2 1`, Hall symbol `C 2y`): `["x,y,z", "-x,y,-z", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z"]` **Bibliographic References** - Bradley, C. J. and Cracknell, A. P. (1972) The Mathematical Theory of Symmetry in Solids. Oxford, Clarendon Press (paperback edition 2010) 745 p. [ISBN 978-0-19-958258-7](https://isbnsearch.org/isbn/9780199582587>). - IUCr (2023) Core dictionary (coreCIF) version 2.4.5; data name `_space_group_symop_operation_xyz`. Available from: [https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_symop_operation_xyz.html](https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_symop_operation_xyz.html) [Accessed 2023-06-18T16:46+03:00]. examples: - ["x,y,z", "-x,y,-z"] - ["x,y,z", "-x,y,-z", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z"] x-optimade-unit: "unapplicable" items: $$inherit: "/v1.2/properties/optimade/common/space_group_symmetry_operation_xyz" ././@LongLink0000644000000000000000000000020000000000000011573 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/dimension_types.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000331515112031047032550 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/dimension_types" title: "dimension types" x-optimade-type: "list" x-optimade-definition: label: "dimension_types_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "dimension_types" x-optimade-dimensions: names: ["dim_lattice"] type: - "array" - "null" description: |- List of three integers describing the periodicity of the boundaries of the unit cell. For each direction indicated by the three lattice_vectors, this list indicates if the direction is periodic (value 1) or non-periodic (value 0). Note: the elements in this list each refer to the direction of the corresponding entry in lattice_vectors and not the Cartesian x, y, z directions. **Requirements/Conventions**: - MUST be a list of length 3. - Each integer element MUST assume only the value 0 or 1. **Explained examples**: - A nonperiodic structure, for example, for a single molecule : `[0, 0, 0]` - A unit cell that is periodic in the direction of the third lattice vector, for example for a carbon nanotube: `[0, 0, 1]` - For a 2D surface/slab, with a unit cell that is periodic in the direction of the first and third lattice vectors: `[1, 0, 1]` - For a bulk 3D system with a unit cell that is periodic in all directions: `[1, 1, 1]` examples: - [0, 0, 0] - [0, 0, 1] - [1, 0, 1] x-optimade-unit: "inapplicable" items: x-optimade-type: integer type: - "integer" x-optimade-unit: "inapplicable" description: "The integers 0 and 1 are used to mean false/true in a boolean flag indicating a periodic direction." enum: - 0 - 1 ././@LongLink0000644000000000000000000000017600000000000011607 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/last_modified.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000020115112031047032537 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $$inherit: "/v1.2/properties/core/last_modified" ././@LongLink0000644000000000000000000000017200000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/nelements.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000203015112031047032541 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/nelements" title: "number of elements" x-optimade-type: "integer" x-optimade-definition: label: "nelements_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "nelements" type: - "integer" - "null" description: |- Number of different elements in the structure as an integer. **Requirements/Conventions**: - MUST be equal to the lengths of the list properties elements and elements_ratios, if they are provided. **Querying**: - Queries on this property can equivalently be formulated using `elements LENGTH`. - A filter that matches structures that have exactly 4 elements: `nelements=4`. - A filter that matches structures that have between 2 and 7 elements: `nelements>=2 AND nelements<=7`. examples: - 3 x-optimade-unit: "dimensionless" x-optimade-requirements: support: "should" sortable: false query-support: "all mandatory" ././@LongLink0000644000000000000000000000021100000000000011575 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/chemical_formula_reduced.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000313615112031047032551 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/chemical_formula_reduced" title: "reduced chemical formula" x-optimade-type: "string" x-optimade-definition: label: "chemical_formula_reduced_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "chemical_formula_reduced" type: - "string" - "null" description: |- The reduced chemical formula for a structure as a string with element symbols and integer chemical proportion numbers. **Requirements/Conventions**: - Intricate queries on formula components are suggested to be formulated using set-type filter operators on the multi valued `elements` and `elements_ratios` properties. - Element symbols MUST have proper capitalization (e.g., `"Si"`, not `"SI"` for "silicon"). - Elements MUST be placed in alphabetical order, followed by their integer chemical proportion number. - For structures with no partial occupation, the chemical proportion numbers are the smallest integers for which the chemical proportion is exactly correct. - For structures with partial occupation, the chemical proportion numbers are integers that within reasonable approximation indicate the correct chemical proportions. The precise details of how to perform the rounding is chosen by the API implementation. - No spaces or separators are allowed. **Query examples**: - A filter that matches an exactly given formula is `chemical_formula_reduced="H2NaO"`. examples: - "H2NaO" - "ClNa" - "CCaO3" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000021100000000000011575 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/cartesian_site_positions.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000333715112031047032554 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/cartesian_site_positions" title: "Cartesian site positions" x-optimade-type: "list" x-optimade-definition: label: "cartesian_site_positions_optimade_structures" kind: "property" version: "1.2.1" format: "1.2" name: "cartesian_site_positions" x-optimade-unit-definitions: - $$inherit: "/v1.2/units/si/general/angstrom" x-optimade-dimensions: names: ["dim_sites", "dim_spatial"] sizes: [null, 3] type: - "array" - "null" description: |- Cartesian positions of each site in the structure. A site is usually used to describe positions of atoms; what atoms can be encountered at a given site is conveyed by the `species_at_sites` property, and the species themselves are described in the `species` property. **Requirements/Conventions**: - It MUST be a list of length equal to the number of sites in the structure, where every element is a list of the three Cartesian coordinates of a site expressed as float values in the unit angstrom (Å). - An entry MAY have multiple sites at the same Cartesian position (for a relevant use of this, see e.g., the property `assemblies`). **Explained examples**: - `[[0,0,0],[0,0,2]]` indicates a structure with two sites, one sitting at the origin and one along the (positive) *z*-axis, 2 Å away from the origin. examples: - [[0,0,0],[0,0,2]] x-optimade-unit: "inapplicable" items: x-optimade-type: "list" x-optimade-dimensions: names: ["dim_spatial"] sizes: [3] type: - "array" x-optimade-unit: "inapplicable" items: x-optimade-type: "float" type: - "number" x-optimade-unit: "angstrom" ././@LongLink0000644000000000000000000000020300000000000011576 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/structure_features.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000344015112031047032547 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/structure_features" title: "structure features" $$inherit: "/v1.2/properties/core/features" x-optimade-definition: label: "structure_features_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "structure_features" description: |- A list of strings that flag which special features are used by the structure. **Requirements/Conventions:** - MUST be an empty list if no special features are used. - MUST be sorted alphabetically. - If a special feature listed below is used, the list MUST contain the corresponding string. - If a special feature listed below is not used, the list MUST NOT contain the corresponding string. - **List of strings used to indicate special structure features:** - `disorder`: this flag MUST be present if any one entry in the species list has a `chemical_symbols` list that is longer than 1 element. - `implicit_atoms`: this flag MUST be present if the structure contains atoms that are not assigned to sites via the property `species_at_sites` (e.g., because their positions are unknown). When this flag is present, the properties related to the chemical formula will likely not match the type and count of atoms represented by the `species_at_sites`, `species`, and `assemblies` properties. - `site_attachments`: this flag MUST be present if any one entry in the species list includes `attached` and `nattached`. - `assemblies`: this flag MUST be present if the property assemblies is present. **Explained examples**: - A structure having implicit atoms and using assemblies: `["assemblies", "implicit_atoms"]` examples: - ["assemblies", "implicit_atoms"] ././@LongLink0000644000000000000000000000017000000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/species.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000003327715112031047032562 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/species" title: "species" x-optimade-type: "list" x-optimade-definition: label: "species_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "species" x-optimade-dimensions: names: ["dim_species"] x-optimade-unit-definitions: - $$inherit: "/v1.2/units/si/general/atomicmassunit" type: - "array" - "null" description: |- A list describing the species of the sites of this structure. Species can represent pure chemical elements, virtual-crystal atoms representing a statistical occupation of a given site by multiple chemical elements, and/or a location to which there are attached atoms, i.e., atoms whose precise location are unknown beyond that they are attached to that position (frequently used to indicate hydrogen atoms attached to another element, e.g., a carbon with three attached hydrogens might represent a methyl group, -CH3). **Requirements/Conventions**: - Each list member MUST be a dictionary with the following keys: - **name**: REQUIRED; gives the name of the species; the **name** value MUST be unique in the `species` list; - **chemical\_symbols**: REQUIRED; MUST be a list of strings of all chemical elements composing this species. Each item of the list MUST be one of the following: - a valid chemical-element symbol, or - the special value `"X"` to represent a non-chemical element, or - the special value `"vacancy"` to represent that this site has a non-zero probability of having a vacancy (the respective probability is indicated in the `concentration` list, see below). If any one entry in the `species` list has a `chemical_symbols` list that is longer than 1 element, the correct flag MUST be set in the list `structure_features` (see property `structure_features`). - **concentration**: REQUIRED; MUST be a list of floats, with same length as `chemical_symbols`. The numbers represent the relative concentration of the corresponding chemical symbol in this species. The numbers SHOULD sum to one. Cases in which the numbers do not sum to one typically fall only in the following two categories: - Numerical errors when representing float numbers in fixed precision, e.g. for two chemical symbols with concentrations `1/3` and `2/3`, the concentration might look something like `[0.33333333333, 0.66666666666]`. If the client is aware that the sum is not one because of numerical precision, it can renormalize the values so that the sum is exactly one. - Experimental errors in the data present in the database. In this case, it is the responsibility of the client to decide how to process the data. Note that concentrations are uncorrelated between different sites (even of the same species). - **attached**: OPTIONAL; if provided MUST be a list of length 1 or more of strings of chemical symbols for the elements attached to this site, or "X" for a non-chemical element. - **nattached**: OPTIONAL; if provided MUST be a list of length 1 or more of integers indicating the number of attached atoms of the kind specified in the value of the `attached` key. The implementation MUST include either both or none of the `attached` and `nattached` keys, and if they are provided, they MUST be of the same length. Furthermore, if they are provided, the `structure_features` property MUST include the string `site_attachments`. - **mass**: OPTIONAL. If present MUST be a list of floats, with the same length as `chemical_symbols`, providing element masses expressed in a.m.u. Elements denoting vacancies MUST have masses equal to 0. - **original\_name**: OPTIONAL. Can be any valid Unicode string, and SHOULD contain (if specified) the name of the species that is used internally in the source database. **Note**: With regard to "source database", we refer to the immediate source being queried via the OPTIMADE API implementation. The main use of this field is for source databases that use species names, containing characters that are not allowed (see description of the list property `species_at_sites`). - For systems that have only species formed by a single chemical symbol, and that have at most one species per chemical symbol, SHOULD use the chemical symbol as species name (e.g., `"Ti"` for titanium, `"O"` for oxygen, etc.) However, note that this is OPTIONAL, and client implementations MUST NOT assume that the key corresponds to a chemical symbol, nor assume that if the species name is a valid chemical symbol, that it represents a species with that chemical symbol. This means that a species `{"name": "C", "chemical_symbols": ["Ti"], "concentration": [1.0]}` is valid and represents a titanium species (and *not* a carbon species). - It is NOT RECOMMENDED that a structure includes species that do not have at least one corresponding site. **Explained examples**: - `[ {"name": "Ti", "chemical_symbols": ["Ti"], "concentration": [1.0]} ]`: any site with this species is occupied by a Ti atom. - `[ {"name": "Ti", "chemical_symbols": ["Ti", "vacancy"], "concentration": [0.9, 0.1]} ]`: any site with this species is occupied by a Ti atom with 90 % probability, and has a vacancy with 10 % probability. - `[ {"name": "BaCa", "chemical_symbols": ["vacancy", "Ba", "Ca"], "concentration": [0.05, 0.45, 0.5], "mass": [0.0, 137.327, 40.078]} ]`: any site with this species is occupied by a Ba atom with 45 % probability, a Ca atom with 50 % probability, and by a vacancy with 5 % probability. - `[ {"name": "C12", "chemical_symbols": ["C"], "concentration": [1.0], "mass": [12.0]} ]`: any site with this species is occupied by a carbon isotope with mass 12. - `[ {"name": "C13", "chemical_symbols": ["C"], "concentration": [1.0], "mass": [13.0]} ]`: any site with this species is occupied by a carbon isotope with mass 13. - `[ {"name": "CH3", "chemical_symbols": ["C"], "concentration": [1.0], "attached": ["H"], "nattached": [3]} ]`: any site with this species is occupied by a methyl group, -CH3, which is represented without specifying precise positions of the hydrogen atoms. examples: - [ {"name": "Ti", "chemical_symbols": ["Ti"], "concentration": [1.0]} ] - [ {"name": "Ti", "chemical_symbols": ["Ti", "vacancy"], "concentration": [0.9, 0.1]} ] - [ {"name": "BaCa", "chemical_symbols": ["vacancy", "Ba", "Ca"], "concentration": [0.05, 0.45, 0.5], "mass": [0.0, 137.327, 40.078]} ] - [ {"name": "C12", "chemical_symbols": ["C"], "concentration": [1.0], "mass": [12.0]} ] - [ {"name": "C13", "chemical_symbols": ["C"], "concentration": [1.0], "mass": [13.0]} ] - [ {"name": "CH3", "chemical_symbols": ["C"], "concentration": [1.0], "attached": ["H"], "nattached": [3]} ] x-optimade-unit: "inapplicable" items: title: "species declaration" x-optimade-type: "dictionary" description: |- A declaration of a species of the sites of this structure. Species can represent pure chemical elements, virtual-crystal atoms representing a statistical occupation of a given site by multiple chemical elements, and/or a location to which there are attached atoms, i.e., atoms whose precise location are unknown beyond that they are attached to that position (frequently used to indicate hydrogen atoms attached to another element, e.g., a carbon with three attached hydrogens might represent a methyl group, -CH3). x-optimade-unit: inapplicable type: - "object" properties: name: $$inherit: "/v1.2/properties/optimade/common/species_name" chemical_symbols: title: "chemical symbols" x-optimade-type: "list" x-optimade-dimensions: names: ["dim_species_chemical_symbols"] type: - "array" description: |- The chemical symbols for the elements composing this species. **Requirements/Conventions**: - MUST be a list of strings of all chemical elements composing this species. Each item of the list MUST be one of the following: - a valid chemical-element symbol, or - the special value `"X"` to represent a non-chemical element, or - the special value `"vacancy"` to represent that this site has a non-zero probability of having a vacancy (the respective probability is indicated in the `concentration` list, see below). If any one entry in the `species` list has a `chemical_symbols` list that is longer than 1 element, the correct flag MUST be set in the list `structure_features` (see property `structure_features`). examples: - ["Na", "Cl"] - ["Si", "Mn", "X", "vacancy"] x-optimade-unit: "inapplicable" items: $$inherit: "/v1.2/properties/optimade/common/chemical_symbol_or_vacancy" concentration: title: "concentration" x-optimade-type: "list" x-optimade-dimensions: names: ["dim_species_chemical_symbols"] type: - "array" description: |- A list of the relative concentrations of the elements composing this species. **Requirements/Conventions**: - MUST be a list of floats, with same length as `chemical_symbols`. The numbers represent the relative concentration of the corresponding chemical symbol in this species. - The numbers SHOULD sum to one. Cases in which the numbers do not sum to one typically fall only in the following two categories: - Numerical errors when representing float numbers in fixed precision, e.g. for two chemical symbols with concentrations `1/3` and `2/3`, the concentration might look something like `[0.33333333333, 0.66666666666]`. If the client is aware that the sum is not one because of numerical precision, it can renormalize the values so that the sum is exactly one. - Experimental errors in the data present in the database. In this case, it is the responsibility of the client to decide how to process the data. Note that concentrations are uncorrelated between different sites (even of the same species). examples: - [1.0] - [0.3333333333333333, 0.2222222222222222, 0.4444444444444444] x-optimade-unit: "inapplicable" items: x-optimade-type: "float" type: - "number" x-optimade-unit: "dimensionless" minimum: 0.0 maximum: 1.0 attached: title: "attached chemical symbols" x-optimade-type: "list" x-optimade-dimensions: names: ["dim_species_attached"] type: - "array" description: |- The chemical symbols of the elements or non-chemical elements attached to a site that has been assinged this species. **Requirements/Conventions**: - MUST be a list of strings of all chemical elements composing this species. Each item of the list MUST be one of the following: - a valid chemical-element symbol. - the special value `"X"` to represent a non-chemical element. If any one entry in the `species` list has a `attached` list that is longer than 1 element, the correct flag MUST be set in the list `structure_features` (see property `structure_features`). examples: - ["Na", "Cl"] - ["Si", "Mn", "X"] x-optimade-unit: "inapplicable" items: $$inherit: "/v1.2/properties/optimade/common/chemical_symbol" nattached: title: "number of attached entities" x-optimade-type: "list" x-optimade-dimensions: names: ["dim_species_attached"] type: - "array" description: |- MUST be a list of length 1 or more of integers indicating the number of attached atoms of the kind specified in the value of the `attached` key. **Requirements/Conventions**: - The implementation MUST include either both or none of the `attached` and `nattached` keys, and if they are provided, they MUST be of the same length. Furthermore, if they are provided, the `structure_features` property MUST include the string `site_attachments`. examples: - [1, 2, 5, 7] x-optimade-unit: "inapplicable" items: x-optimade-type: "integer" type: - "integer" x-optimade-unit: "dimensionless" minimum: 0 mass: title: "masses of the entities composing the species" x-optimade-type: "list" x-optimade-dimensions: names: ["dim_species_chemical_symbols"] type: - "array" description: |- MUST be a list of floats, with the same length as `chemical_symbols`, providing element masses expressed in a.m.u. **Requirements/Conventions**: - Elements denoting vacancies MUST have masses equal to 0. examples: - [58.933195, 28.0855] x-optimade-unit: "inapplicable" items: x-optimade-type: "float" type: - "number" x-optimade-unit: "dalton" minimum: 0.0 original_name: title: "original name" x-optimade-type: "string" type: - "string" description: |- A name for the species that derives from the source database. **Requirements/Conventions**: - Can be any valid Unicode string, and SHOULD contain (if specified) the name of the species that is used internally in the source database. **Note**: With regard to "source database", we refer to the immediate source being queried via the OPTIMADE API implementation. The main use of this field is for source databases that use species names, containing characters that are not allowed (see description of the list property `species_at_sites`). examples: - "Na[49385]" x-optimade-unit: "inapplicable" required: - "name" - "chemical_symbols" - "concentration" ././@LongLink0000644000000000000000000000016700000000000011607 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/nsites.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000147515112031047032555 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/nsites" title: "number of sites" x-optimade-type: "integer" x-optimade-definition: label: "nsites_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "nsites" type: - "integer" - "null" description: |- An integer specifying the length of the `cartesian_site_positions` property. **Requirements/Conventions**: - MUST be equal to the lengths of the list properties elements and elements_ratios, if they are provided. **Query examples**: - Match only structures with exactly 4 sites: `nsites=4` - Match structures that have between 2 and 7 sites: `nsites>=2 AND nsites<=7` examples: - 42 x-optimade-unit: "dimensionless" ././@LongLink0000644000000000000000000000017500000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/immutable_id.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000020015112031047032536 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $$inherit: "/v1.2/properties/core/immutable_id" ././@LongLink0000644000000000000000000000016500000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/type.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000017015112031047032544 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $$inherit: "/v1.2/properties/core/type" ././@LongLink0000644000000000000000000000016300000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/id.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000016615112031047032551 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $$inherit: "/v1.2/properties/core/id" ././@LongLink0000644000000000000000000000022300000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/space_group_symbol_hermann_mauguin.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000370615112031047032554 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/space_group_symbol_hermann_mauguin" title: "Hermann-Mauguin space group symbol" x-optimade-type: "string" x-optimade-definition: label: "space_group_symbol_hermann_mauguin_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "space_group_symbol_hermann_mauguin" type: - "string" - "null" description: |- A human- and machine-readable string containing the short Hermann-Mauguin (H-M) symbol which specifies the space group of the structure in the response. **Requirements/Conventions**: - The H-M symbol SHOULD aim to convey the closest representation of the symmetry information that can be specified using the short format used in the International Tables for Crystallography vol. A (IUCr, 2005), Table 4.3.2.1 as described in the accompanying text. - The symbol MAY be a non-standard short H-M symbol. - The H-M symbol does not unambiguously communicate the axis, cell, and origin choice, and the given symbol SHOULD NOT be amended to convey this information. - To encode as character strings, the following adaptations MUST be made when representing H-M symbols given in their typesetted form: - the overbar above the numbers MUST be changed to the minus sign in front of the digit (e.g. `-2`); - subscripts that denote screw axes are written as digits immediately after the axis designator without a space (e.g. `P 32`); - the space group generators MUST be separated by a single space (e.g. `P 21 21 2`); - there MUST be no spaces in the space group generator designation (i.e. use `P 21/m`, not the `P 21 / m`); **Bibliographic References** - IUCr (2005). International Tables for Crystallography vol. A. Space-Group Symmetry. Ed. Theo Hahn. 5-th edition. Dordrecht, Springer. examples: - "C 2" - "P 21 21 21" x-optimade-unit: "unapplicable" ././@LongLink0000644000000000000000000000023400000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/space_group_symbol_hermann_mauguin_extended.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000335515112031047032554 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/space_group_symbol_hermann_mauguin_extended" title: "extended Hermann-Mauguin space group symbol" x-optimade-type: "string" x-optimade-definition: label: "space_group_symbol_hermann_mauguin_extended_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "space_group_symbol_hermann_mauguin_extended" type: - "string" - "null" description: |- A human- and machine-readable string containing the extended Hermann-Mauguin (H-M) symbol which specifies the space group of the structure in the response. **Requirements/Conventions**: - The H-M symbols SHOULD be given as specified in the International Tables for Crystallography vol. A (IUCr, 2005), Table 4.3.2.1. - The change-of-basis operation SHOULD be provided for the non-standard axis and cell choices. - The extended H-M symbol does not unambiguously communicate the origin choice, and the given symbol SHOULD NOT be amended to convey this information. - The description of the change-of-basis SHOULD follow conventions of the ITC Vol. B, Sect. 1.4, Appendix A1.4.2 (IUCr, 2001). - The same character string encoding conventions MUST be used as for the specification of the `space_group_symbol_hermann_mauguin` property. **Bibliographic References** - IUCr (2001). International Tables for Crystallography vol. B. Reciprocal Space. Ed. U. Shmueli. 2-nd edition. Dordrecht/Boston/London, Kluwer Academic Publishers. - IUCr (2005). International Tables for Crystallography vol. A. Space-Group Symmetry. Ed. Theo Hahn. 5-th edition. Dordrecht, Springer. examples: - "C 1 2 1" x-optimade-unit: "unapplicable" ././@LongLink0000644000000000000000000000021000000000000011574 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/space_group_symbol_hall.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000000406215112031047032550 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/space_group_symbol_hall" title: "Hall space group symbol" x-optimade-type: "string" x-optimade-definition: label: "space_group_symbol_hall_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "space_group_symbol_hall" type: - "string" - "null" description: |- A Hall space group symbol representing the symmetry of the structure as defined in Hall, S. R. (1981), Acta Cryst. A37, 517-525 and erratum (1981), A37, 921. **Requirements/Conventions**: - The change-of-basis operations are used as defined in the International Tables of Crystallography (ITC) Vol. B, Sect. 1.4, Appendix A1.4.2 (IUCr, 2001). - Each component of the Hall symbol MUST be separated by a single space symbol. - If there exists a standard Hall symbol which represents the symmetry it SHOULD be used. - MUST be `null` if `nperiodic_dimensions` is not equal to 3. **Explained examples**: - Space group symbols with explicit origin (the Hall symbols): - `P 2c -2ac` - `-I 4bd 2ab 3` - Space group symbols with change-of-basis operations: - `P 2yb (-1/2*x+z,1/2*x,y)` - `-I 4 2 (1/2*x+1/2*y,-1/2*x+1/2*y,z)` **Bibliographic References** - Hall, S. R. (1981) Space-group notation with an explicit origin. Acta Crystallographica Section A, 37, 517-525, International Union of Crystallography (IUCr), DOI: https://doi.org/10.1107/s0567739481001228 - Hall, S. R. (1981a) Space-group notation with an explicit origin; erratum. Acta Crystallographica Section A, 37, 921-921, International Union of Crystallography (IUCr), DOI: https://doi.org/10.1107/s0567739481001976 - IUCr (2001). International Tables for Crystallography vol. B. Reciprocal Space. Ed. U. Shmueli. 2-nd edition. Dordrecht/Boston/London, Kluwer Academic Publishers. examples: - "P 2c -2ac" - "-I 4db 2ab 3" - "P 2yb (-1/2*x+z,1/2*x,y)" - "-I 4 2 (1/2*x+1/2*y,-1/2*x+1/2*y,z)" x-optimade-unit: "unapplicable" ././@LongLink0000644000000000000000000000017300000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/structures/assemblies.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/stru0000644000200400020040000002033115112031047032545 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/assemblies" title: "assemblies" x-optimade-type: "dictionary" x-optimade-definition: label: "assemblies_optimade_structures" kind: "property" version: "1.2.0" format: "1.2" name: "assemblies" type: - "object" - "null" description: |- A description of groups of sites that are statistically correlated. **Requirements/Conventions**: - The property SHOULD be `null` for entries that have no partial occupancies. - If present, the correct flag MUST be set in the list `structure_features` (see property `structure_features`). - Client implementations MUST check its presence (as its presence changes the interpretation of the structure). - If present, it MUST be a list of dictionaries, each of which represents an assembly and MUST have the following two keys: - **sites_in_groups**: Index of the sites (0-based) that belong to each group for each assembly. Example: `[[1], [2]]`: two groups, one with the second site, one with the third. Example: `[[1,2], [3]]`: one group with the second and third site, one with the fourth. - **group_probabilities**: Statistical probability of each group. It MUST have the same length as `sites_in_groups`. It SHOULD sum to one. See below for examples of how to specify the probability of the occurrence of a vacancy. The possible reasons for the values not to sum to one are the same as already specified above for the `concentration` of each `species`, see property `species`. - If a site is not present in any group, it means that it is present with 100 % probability (as if no assembly was specified). - A site MUST NOT appear in more than one group. **Explained examples**: - `{"sites_in_groups": [[0], [1]], "group_probabilities": [0.3, 0.7]}`: the first site and the second site never occur at the same time in the unit cell. Statistically, 30 % of the times the first site is present, while 70 % of the times the second site is present. - `{"sites_in_groups": [[1,2], [3]], "group_probabilities": [0.3, 0.7]}`: the second and third sites are either present together or not present; they form the first group of atoms for this assembly. The second group is formed by the fourth site. Sites of the first group (the second and the third) are never present at the same time as the fourth site. 30 % of times sites 1 and 2 are present (and site 3 is absent); 70 % of times site 3 is present (and sites 1 and 2 are absent). **Notes**: - Assemblies are essential to represent, for instance, the situation where an atom can statistically occupy two different positions (sites). - By defining groups, it is possible to represent, e.g., the case where a functional molecule (and not just one atom) is either present or absent (or the case where it is present in two conformations). - Considerations on virtual alloys and on vacancies: In the special case of a virtual alloy, these specifications allow two different, equivalent ways of specifying them. For instance, for a site at the origin with 30 % probability of being occupied by Si, 50 % probability of being occupied by Ge, and 20 % of being a vacancy, the following two representations are possible: - Using a single species: { "cartesian_site_positions": [[0,0,0]], "species_at_sites": ["SiGe-vac"], "species": [ { "name": "SiGe-vac", "chemical_symbols": ["Si", "Ge", "vacancy"], "concentration": [0.3, 0.5, 0.2] } ] // ... } - Using multiple species and the assemblies: { "cartesian_site_positions": [ [0,0,0], [0,0,0], [0,0,0] ], "species_at_sites": ["Si", "Ge", "vac"], "species": [ { "name": "Si", "chemical_symbols": ["Si"], "concentration": [1.0] }, { "name": "Ge", "chemical_symbols": ["Ge"], "concentration": [1.0] }, { "name": "vac", "chemical_symbols": ["vacancy"], "concentration": [1.0] } ], "assemblies": [ { "sites_in_groups": [ [0], [1], [2] ], "group_probabilities": [0.3, 0.5, 0.2] } ] // ... } - It is up to the database provider to decide which representation to use, typically depending on the internal format in which the structure is stored. However, given a structure identified by a unique ID, the API implementation MUST always provide the same representation for it. - The probabilities of occurrence of different assemblies are uncorrelated. So, for instance in the following case with two assemblies: { "assemblies": [ { "sites_in_groups": [ [0], [1] ], "group_probabilities": [0.2, 0.8] }, { "sites_in_groups": [ [2], [3] ], "group_probabilities": [0.3, 0.7] } ] } Site 0 is present with a probability of 20 % and site 1 with a probability of 80 %. These two sites are correlated (either site 0 or 1 is present). Similarly, site 2 is present with a probability of 30 % and site 3 with a probability of 70 %. These two sites are correlated (either site 2 or 3 is present). However, the presence or absence of sites 0 and 1 is not correlated with the presence or absence of sites 2 and 3 (in the specific example, the pair of sites (0, 2) can occur with 0.2·0.3 = 6% probability; the pair (0, 3) with 0.2·0.7 = 14% probability; the pair (1, 2) with 0.8·0.3 = 24 % probability; and the pair (1, 3) with 0.8·0.7 = 56 % probability). examples: - {"sites_in_groups": [[0], [1]], "group_probabilities": [0.3, 0.7]} - {"sites_in_groups": [[1,2], [3]], "group_probabilities": [0.3, 0.7]} x-optimade-unit: "inapplicable" properties: sites_in_groups: title: "sites in groups" x-optimade-type: "list" x-optimade-dimensions: names: ["dim_assembly_groups", "dim_assembly_groups_sites"] type: - "array" description: |- Index of the sites (0-based) that belong to each group for each assembly. **Explained examples**: - `[[1], [2]]`: two groups, one with the second site, one with the third. - `[[1,2], [3]]`: one group with the second and third site, one with the fourth. examples: - [[1], [2]] - [[1,2], [3]] x-optimade-unit: "inapplicable" items: title: "group of sites" x-optimade-type: "list" x-optimade-dimensions: names: ["dim_assembly_groups_sites"] type: - "array" description: |- A list of sites that belong to one group in the assembly. examples: - [1] - [1,2] x-optimade-unit: "inapplicable" items: title: "a site reference" x-optimade-type: "integer" type: - "integer" description: |- An integer that refers to a site by index (0-based). examples: - 2 x-optimade-unit: "inapplicable" group_probabilities: title: "group probabilities" x-optimade-type: "list" x-optimade-dimensions: names: ["dim_assembly_groups"] type: - "array" description: |- Statistical probability of each group. **Requirements/Conventions**: - It MUST have the same length as `sites_in_groups`. - It SHOULD sum to one. - The possible reasons for the values not to sum to one are the same as specified in the `concentration` field of the `species` property. examples: - [0.3, 0.7] x-optimade-unit: "inapplicable" items: title: "a concentration" x-optimade-type: "float" type: - "number" description: |- A float that specifies the statistical probability of a group in the description of assemblies. examples: - 0.4 x-optimade-unit: "dimensionless" required: - "sites_in_groups" - "group_probabilities" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/references/OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/refe0000775000200400020040000000000015112031047032472 5ustar andriusandrius././@LongLink0000644000000000000000000000016600000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/references/month.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/refe0000644000200400020040000000104615112031047032473 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/month" title: "month" x-optimade-type: "string" x-optimade-definition: label: "month_optimade_references" kind: "property" version: "1.2.0" format: "1.2" name: "month" type: - "string" - "null" description: |- The three-letter abbreviation of the month of publication or writing (the month field in the BibTeX specification). examples: - "jul" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000016600000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/references/pages.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/refe0000644000200400020040000000101215112031047032464 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/pages" title: "pages" x-optimade-type: "string" x-optimade-definition: label: "pages_optimade_references" kind: "property" version: "1.2.0" format: "1.2" name: "pages" type: - "string" - "null" description: |- The page number(s) of the reference (the pages field in the BibTeX specification). examples: - "147--154" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000017100000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/references/crossref.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/refe0000644000200400020040000000105315112031047032471 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/crossref" title: "crossref" x-optimade-type: "string" x-optimade-definition: label: "crossref_optimade_references" kind: "property" version: "1.2.0" format: "1.2" name: "crossref" type: - "string" - "null" description: |- The database key of the entry being cross referenced (the crossref field in the BibTeX specification). examples: - "smith2022" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000016700000000000011607 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/references/series.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/refe0000644000200400020040000000105115112031047032467 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/series" title: "series" x-optimade-type: "string" x-optimade-definition: label: "series_optimade_references" kind: "property" version: "1.2.0" format: "1.2" name: "series" type: - "string" - "null" description: |- The name of a series or set of books (the series field in the BibTeX specification). examples: - "Lecture Notes in Computer Science" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000017500000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/references/organization.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/refe0000644000200400020040000000114615112031047032474 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/organization" title: "organization" x-optimade-type: "string" x-optimade-definition: label: "organization_optimade_references" kind: "property" version: "1.2.0" format: "1.2" name: "organization" type: - "string" - "null" description: |- The organization sponsoring a conference or publishing a manual (the organization field in the BibTeX specification) examples: - "International Association of Engineers" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000017200000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/references/booktitle.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/refe0000644000200400020040000000116415112031047032474 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/booktitle" title: "booktitle" x-optimade-type: "string" x-optimade-definition: label: "booktitle_optimade_references" kind: "property" version: "1.2.0" format: "1.2" name: "booktitle" type: - "string" - "null" description: |- The title of a book being cited; for parts of a book, use the title field instead (the booktitle field in the BibTeX specification). examples: - "Density-functional Theory of Atoms and Molecules" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000017600000000000011607 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/references/last_modified.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/refe0000644000200400020040000000020115112031047032463 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $$inherit: "/v1.2/properties/core/last_modified" ././@LongLink0000644000000000000000000000016400000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/references/url.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/refe0000644000200400020040000000076215112031047032477 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/url" title: "URL" x-optimade-type: "string" x-optimade-definition: label: "url_optimade_references" kind: "property" version: "1.2.0" format: "1.2" name: "url" type: - "string" - "null" description: |- The URL of the object being referenced. examples: - "https://example.com/papers/my_paper" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000016700000000000011607 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/references/school.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/refe0000644000200400020040000000105015112031047032466 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/school" title: "school" x-optimade-type: "string" x-optimade-definition: label: "school_optimade_references" kind: "property" version: "1.2.0" format: "1.2" name: "school" type: - "string" - "null" description: |- The name of the school where a thesis was written (the school field in the BibTeX specification). examples: - "Stanford University" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000016600000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/references/title.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/refe0000644000200400020040000000107015112031047032470 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/title" title: "title" x-optimade-type: "string" x-optimade-definition: label: "title_optimade_references" kind: "property" version: "1.2.0" format: "1.2" name: "title" type: - "string" - "null" description: |- The title of the work (the title field in the BibTeX specification). examples: - "A Study on the Effects of Sleep Deprivation on Cognitive Performance" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000016700000000000011607 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/references/number.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/refe0000644000200400020040000000105515112031047032473 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/number" title: "number" x-optimade-type: "string" x-optimade-definition: label: "number_optimade_references" kind: "property" version: "1.2.0" format: "1.2" name: "number" type: - "string" - "null" description: |- The number of a journal, magazine, technical report, or work in a series (the number field in the BibTeX specification). examples: - "3" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000016500000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/references/note.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/refe0000644000200400020040000000103015112031047032464 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/note" title: "note" x-optimade-type: "string" x-optimade-definition: label: "note_optimade_references" kind: "property" version: "1.2.0" format: "1.2" name: "note" type: - "string" - "null" description: |- Additional information about the reference (the note field in the BibTeX specification). examples: - "Accessed: 2022-11-04" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000016700000000000011607 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/references/volume.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/refe0000644000200400020040000000103015112031047032464 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/volume" title: "volume" x-optimade-type: "string" x-optimade-definition: label: "volume_optimade_references" kind: "property" version: "1.2.0" format: "1.2" name: "volume" type: - "string" - "null" description: |- The volume number of a journal or multivolume book (the volume field in the BibTeX specification). examples: - "14" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000016500000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/references/year.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/refe0000644000200400020040000000072315112031047032474 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/year" title: "year" x-optimade-type: "string" x-optimade-definition: label: "year_optimade_references" kind: "property" version: "1.2.0" format: "1.2" name: "year" type: - 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Indefinite support could be communicated by providing a date sufficiently far in the future, for example, 9999-12-31. examples: - "2052-04-05T14:30:20Z" x-optimade-unit: "inapplicable" format: "date-time" ././@LongLink0000644000000000000000000000016000000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/files/size.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/file0000644000200400020040000000163115112031047032471 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/size" title: "size" x-optimade-type: "integer" x-optimade-definition: label: "size_optimade_files" kind: "property" version: "1.2.0" format: "1.2" name: "size" x-optimade-unit-definitions: - $$inherit: "/v1.2/units/iso-iec-80000/2008/information_science_and_technology/byte" type: - "integer" - "null" description: |- Size of a file in bytes. **Requirements/Conventions:** - If provided, it MUST be guaranteed that either exact size of a file is given or its upper bound. This way if a client reserves a static buffer or truncates the download stream after this many bytes the whole file would be received. Such provision is included to allow the providers to serve on-the-fly compressed files. examples: - 4711 x-optimade-unit: "byte" ././@LongLink0000644000000000000000000000016600000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/files/media_type.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/file0000644000200400020040000000117315112031047032472 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/media_type" title: "media type" x-optimade-type: "string" x-optimade-definition: label: "media_type_optimade_files" kind: "property" version: "1.2.0" format: "1.2" name: "media_type" type: - "string" - "null" description: |- Media type identifier (also known as MIME type), for a file as per [RFC 6838 Media Type Specifications and Registration Procedures](https://datatracker.ietf.org/doc/html/rfc6838). examples: - "chemical/x-cif" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000017100000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/files/last_modified.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/file0000644000200400020040000000020115112031047032461 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $$inherit: "/v1.2/properties/core/last_modified" ././@LongLink0000644000000000000000000000015700000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/files/url.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/file0000644000200400020040000000132315112031047032467 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/url" title: "URL" x-optimade-type: "string" x-optimade-definition: label: "url_optimade_files" kind: "property" version: "1.2.0" format: "1.2" name: "url" type: - "string" description: |- The URL to get the contents of a file. **Requirements/Conventions:** - The URL MUST point to the actual contents of a file (i.e. byte stream), not an intermediate (preview) representation. For example, if referring to a file on GitHub, a link should point to raw contents. examples: - "https://example.org/files/cifs/1000000.cif" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000020200000000000011575 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/files/modification_timestamp.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/file0000644000200400020040000000152215112031047032470 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/modification_timestamp" title: "modification timestamp" x-optimade-type: "timestamp" x-optimade-definition: label: "modification_timestamp_optimade_files" kind: "property" version: "1.2.0" format: "1.2" name: "modification_timestamp" type: - "string" - "null" description: |- Timestamp of the last modification of file contents. A modification is understood as an addition, change or deletion of one or more bytes, resulting in file contents different from the previous. **Requirements/Conventions:** - Timestamps of subsequent file modifications SHOULD be increasing (not earlier than previous timestamps). examples: - "2020-04-05T14:30:20Z" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000016700000000000011607 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/files/description.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/file0000644000200400020040000000076015112031047032473 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/description" title: "description" x-optimade-type: "string" x-optimade-definition: label: "description_optimade_files" kind: "property" version: "1.2.0" format: "1.2" name: "description" type: - "string" - "null" description: |- Free-form description of a file. examples: - "POSCAR format file" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000016100000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/files/atime.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/file0000644000200400020040000000101315112031047032463 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/atime" title: "access time" x-optimade-type: "timestamp" x-optimade-definition: label: "atime_optimade_files" kind: "property" version: "1.2.0" format: "1.2" name: "atime" type: - "string" - "null" format: "date-time" description: |- Time of last access of a file as per POSIX standard. examples: - "2007-04-05T14:30:20Z" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000016500000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/files/checksums.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/file0000644000200400020040000000263215112031047032473 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/checksums" title: "checksums" x-optimade-type: "dictionary" x-optimade-definition: label: "checksums_optimade_files" kind: "property" version: "1.2.0" format: "1.2" name: "checksums" type: - "object" - "null" description: |- Dictionary providing checksums of file contents. **Requirements/Conventions:** - The keys in the dictionary identify checksum functions and the values are strings containing the corresponding checksum. - Supported dictionary keys: `md5`, `sha1`, `sha224`, `sha256`, `sha384`, `sha512`. Checksums outside this list MAY be used, but their names MUST be prefixed by database-provider-specific namespace prefix. examples: - {"sha1": "8072f787eada2c50b60a27f3f098fbac7eea08cf"} x-optimade-unit: "inapplicable" properties: md5: x-optimade-type: "string" x-optimade-unit: "inapplicable" type: - "string" sha1: x-optimade-type: "string" x-optimade-unit: "inapplicable" type: - "string" sha224: x-optimade-type: "string" x-optimade-unit: "inapplicable" type: - "string" sha384: x-optimade-type: "string" x-optimade-unit: "inapplicable" type: - "string" sha512: x-optimade-type: "string" x-optimade-unit: "inapplicable" type: - "string" ././@LongLink0000644000000000000000000000016100000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/files/mtime.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/file0000644000200400020040000000210115112031047032462 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/mtime" title: "modification time" x-optimade-type: "timestamp" x-optimade-definition: label: "mtime_optimade_files" kind: "property" version: "1.2.0" format: "1.2" name: "mtime" type: - "string" - "null" format: "date-time" description: |- Time of last modification of a file as per POSIX standard. **Requirements/Conventions:** - It should be noted that the values of `last_modified`, `modification_timestamp` and `mtime` do not necessary match. `last_modified` pertains to the modification of the OPTIMADE metadata, `modification_timestamp` pertains to file contents and `mtime` pertains to the modification of the file (not necessary changing its contents). For example, appending an empty string to a file would result in the change of `mtime` in some operating systems, but this would not be deemed as a modification of its contents. examples: - "2007-04-05T14:30:20Z" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000017000000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/files/immutable_id.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/file0000644000200400020040000000020015112031047032460 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $$inherit: "/v1.2/properties/core/immutable_id" ././@LongLink0000644000000000000000000000016000000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/files/type.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/file0000644000200400020040000000017015112031047032466 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $$inherit: "/v1.2/properties/core/type" ././@LongLink0000644000000000000000000000015600000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/files/id.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/file0000644000200400020040000000016615112031047032473 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $$inherit: "/v1.2/properties/core/id" ././@LongLink0000644000000000000000000000016300000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/files/version.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/optimade/file0000644000200400020040000000122415112031047032467 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/version" title: "version" x-optimade-type: "string" x-optimade-definition: label: "version_optimade_files" kind: "property" version: "1.2.0" format: "1.2" name: "version" type: - "string" - "null" description: |- Version information of a file (e.g., commit, revision, timestamp). **Requirements/Conventions:** - If provided, it MUST be guaranteed that file contents pertaining to the same combination of id and version are the same. examples: - "3.2.6" x-optimade-unit: "inapplicable" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/core/0000775000200400020040000000000015112031047030756 5ustar andriusandrius././@LongLink0000644000000000000000000000015700000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/core/last_modified.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/core/last_mod0000644000200400020040000000103115112031047032474 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/core/last_modified" title: "last modified" x-optimade-type: "timestamp" x-optimade-definition: label: "last_modified_core" kind: "property" version: "1.2.0" format: "1.2" name: "last_modified" type: - "string" - "null" format: "date-time" description: |- Date and time representing when the entry was last modified. examples: - "2007-04-05T14:30:20Z" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000015600000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/core/immutable_id.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/core/immutabl0000644000200400020040000000143415112031047032513 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/core/immutable_id" title: "immutable ID" x-optimade-type: "string" x-optimade-definition: label: "immutable_id_core" kind: "property" version: "1.2.0" format: "1.2" name: "immutable_id" type: - "string" - "null" description: |- The entry's immutable ID (e.g., a UUID). **Requirements/Conventions:** - This is important for databases having preferred IDs that point to "the latest version" of a record, but still offer access to older variants. - This ID maps to the version-specific record, in case it changes in the future. examples: - "8bd3e750-b477-41a0-9b11-3a799f21b44f" - "fjeiwoj,54;@=%<>#32" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000014600000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/core/type.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/core/type.yam0000644000200400020040000000122515112031047032445 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/core/type" title: "type" x-optimade-type: "string" x-optimade-definition: label: "type_core" kind: "property" version: "1.2.0" format: "1.2" name: "type" type: - "string" description: |- The name of the type of an entry. **Requirements/Conventions:** - MUST be an existing entry type. - The entry of type and ID MUST be returned in response to a request for // under the versioned or unversioned base URL serving the API. examples: - "structures" x-optimade-unit: "inapplicable" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/core/id.yaml0000644000200400020040000000136115112031047032235 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/core/id" title: "ID" x-optimade-type: "string" x-optimade-definition: label: "id_core" kind: "property" version: "1.2.0" format: "1.2" name: "id" type: - "string" description: |- A unique string referencing a specific entry in the database. **Requirements/Conventions:** - Taken together, the ID and entry type MUST uniquely identify the entry. - Reasonably short IDs are encouraged and SHOULD NOT be longer than 255 characters. - IDs MAY change over time. examples: - "db/1234567" - "cod/2000000" - "cod/2000000@1234567" - "nomad/L1234567890" - "42" x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/core/features.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/properties/core/features0000644000200400020040000000201515112031047032513 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.2/properties/core/features" title: "features" x-optimade-type: "list" x-optimade-definition: label: "features_core" kind: "property" version: "1.2.0" format: "1.2" name: "features" type: - "array" x-optimade-dimensions: names: ["dim_features"] description: |- A list of strings that flag which special features are used by the entry. **Requirements/Conventions:** - MUST be an empty list if no special features are used. - MUST be sorted alphabetically. - If a feature is used, the list MUST contain the corresponding string. - If a feature is not used, the list MUST NOT contain the corresponding string. - This is an abstract definition, meant to be inherited by more specific definitions that define specific strings. examples: - ["feature1", "feature2"] x-optimade-unit: "inapplicable" items: type: - "string" x-optimade-type: "string" x-optimade-unit: "inapplicable" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/0000775000200400020040000000000015112031047030241 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/0000775000200400020040000000000015112031047030654 5ustar andriusandrius././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_2006.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_2006.y0000644000200400020040000000617015112031047032132 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/unitsystem_definition" $id: "https://schemas.optimade.org/defs/v1.2/unitsystems/si/si_2006" title: "SI 2006" description: |- The SI unit system as represented in the 8th edition of the International System of Units. The International System of Units (SI) is established and maintained by the General Conference on Weights and Measures (CGPM). This represents the SI unit system described in the 8th edition of the International System of Units in 2006. x-optimade-definition: label: "si_2006_unitsystem" kind: "unitsystem" format: "1.2" version: "1.2.0" name: "si_2006" units: s: $$inherit: "/v1.2/units/si/1967/base/second" m: $$inherit: "/v1.2/units/si/1983/base/metre" kg: $$inherit: "/v1.2/units/si/1960/base/kilogram" A: $$inherit: "/v1.2/units/si/1983/base/ampere" K: $$inherit: "/v1.2/units/si/1967/base/kelvin" mol: $$inherit: "/v1.2/units/si/1971/base/mole" cd: $$inherit: "/v1.2/units/si/1983/base/candela" rad: $$inherit: "/v1.2/units/si/1960/supplementary/radian" sr: $$inherit: "/v1.2/units/si/1960/supplementary/steradian" Hz: $$inherit: "/v1.2/units/si/1967/named/hertz" N: $$inherit: "/v1.2/units/si/1983/named/newton" Pa: $$inherit: "/v1.2/units/si/1983/named/pascal" J: $$inherit: "/v1.2/units/si/1967/named/joule" W: $$inherit: "/v1.2/units/si/1967/named/watt" C: $$inherit: "/v1.2/units/si/1967/named/coulomb" V: $$inherit: "/v1.2/units/si/1983/named/volt" F: $$inherit: "/v1.2/units/si/1983/named/farad" ohm: $$inherit: "/v1.2/units/si/1983/named/ohm" S: $$inherit: "/v1.2/units/si/1983/named/siemens" Wb: $$inherit: "/v1.2/units/si/1983/named/weber" T: $$inherit: "/v1.2/units/si/1967/named/tesla" H: $$inherit: "/v1.2/units/si/1983/named/henry" degC: $$inherit: "/v1.2/units/si/1967/named/degcelsius" lm: $$inherit: "/v1.2/units/si/1979/named/lumen" lx: $$inherit: "/v1.2/units/si/1983/named/lux" Bq: $$inherit: "/v1.2/units/si/1975/named/becquerel" Gy: $$inherit: "/v1.2/units/si/1983/named/gray" Sv: $$inherit: "/v1.2/units/si/1983/named/sievert" kat: $$inherit: "/v1.2/units/si/1999/named/katal" prefixes: Y: $$inherit: "/v1.2/prefixes/si/yotta" Z: $$inherit: "/v1.2/prefixes/si/zetta" E: $$inherit: "/v1.2/prefixes/si/exa" P: $$inherit: "/v1.2/prefixes/si/peta" T: $$inherit: "/v1.2/prefixes/si/tera" G: $$inherit: "/v1.2/prefixes/si/giga" M: $$inherit: "/v1.2/prefixes/si/mega" k: $$inherit: "/v1.2/prefixes/si/kilo" h: $$inherit: "/v1.2/prefixes/si/hecto" da: $$inherit: "/v1.2/prefixes/si/deca" d: $$inherit: "/v1.2/prefixes/si/deci" c: $$inherit: "/v1.2/prefixes/si/centi" m: $$inherit: "/v1.2/prefixes/si/milli" mc: $$inherit: "/v1.2/prefixes/si/micro" n: $$inherit: "/v1.2/prefixes/si/nano" p: $$inherit: "/v1.2/prefixes/si/pico" f: $$inherit: "/v1.2/prefixes/si/femto" a: $$inherit: "/v1.2/prefixes/si/atto" z: $$inherit: "/v1.2/prefixes/si/zepto" y: $$inherit: "/v1.2/prefixes/si/yocto" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_1991.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_1991.y0000644000200400020040000000610015112031047032137 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/unitsystem_definition" $id: "https://schemas.optimade.org/defs/v1.2/unitsystems/si/si_1991" title: "SI 1991" description: |- The SI unit system as represented in the 6th edition of the International System of Units. The International System of Units (SI) is established and maintained by the General Conference on Weights and Measures (CGPM). This represents the SI unit system described in the 6th edition of the International System of Units in 1991. x-optimade-definition: label: "si_1991_unitsystem" kind: "unitsystem" format: "1.2" version: "1.2.0" name: "si_1991" units: s: $$inherit: "/v1.2/units/si/1967/base/second" m: $$inherit: "/v1.2/units/si/1983/base/metre" kg: $$inherit: "/v1.2/units/si/1960/base/kilogram" A: $$inherit: "/v1.2/units/si/1983/base/ampere" K: $$inherit: "/v1.2/units/si/1967/base/kelvin" mol: $$inherit: "/v1.2/units/si/1971/base/mole" cd: $$inherit: "/v1.2/units/si/1983/base/candela" rad: $$inherit: "/v1.2/units/si/1960/supplementary/radian" sr: $$inherit: "/v1.2/units/si/1960/supplementary/steradian" Hz: $$inherit: "/v1.2/units/si/1967/named/hertz" N: $$inherit: "/v1.2/units/si/1983/named/newton" Pa: $$inherit: "/v1.2/units/si/1983/named/pascal" J: $$inherit: "/v1.2/units/si/1967/named/joule" W: $$inherit: "/v1.2/units/si/1967/named/watt" C: $$inherit: "/v1.2/units/si/1967/named/coulomb" V: $$inherit: "/v1.2/units/si/1983/named/volt" F: $$inherit: "/v1.2/units/si/1983/named/farad" ohm: $$inherit: "/v1.2/units/si/1983/named/ohm" S: $$inherit: "/v1.2/units/si/1983/named/siemens" Wb: $$inherit: "/v1.2/units/si/1983/named/weber" T: $$inherit: "/v1.2/units/si/1967/named/tesla" H: $$inherit: "/v1.2/units/si/1983/named/henry" degC: $$inherit: "/v1.2/units/si/1967/named/degcelsius" lm: $$inherit: "/v1.2/units/si/1979/named/lumen" lx: $$inherit: "/v1.2/units/si/1983/named/lux" Bq: $$inherit: "/v1.2/units/si/1975/named/becquerel" Gy: $$inherit: "/v1.2/units/si/1983/named/gray" Sv: $$inherit: "/v1.2/units/si/1983/named/sievert" prefixes: Y: $$inherit: "/v1.2/prefixes/si/yotta" Z: $$inherit: "/v1.2/prefixes/si/zetta" E: $$inherit: "/v1.2/prefixes/si/exa" P: $$inherit: "/v1.2/prefixes/si/peta" T: $$inherit: "/v1.2/prefixes/si/tera" G: $$inherit: "/v1.2/prefixes/si/giga" M: $$inherit: "/v1.2/prefixes/si/mega" k: $$inherit: "/v1.2/prefixes/si/kilo" h: $$inherit: "/v1.2/prefixes/si/hecto" da: $$inherit: "/v1.2/prefixes/si/deca" d: $$inherit: "/v1.2/prefixes/si/deci" c: $$inherit: "/v1.2/prefixes/si/centi" m: $$inherit: "/v1.2/prefixes/si/milli" mc: $$inherit: "/v1.2/prefixes/si/micro" n: $$inherit: "/v1.2/prefixes/si/nano" p: $$inherit: "/v1.2/prefixes/si/pico" f: $$inherit: "/v1.2/prefixes/si/femto" a: $$inherit: "/v1.2/prefixes/si/atto" z: $$inherit: "/v1.2/prefixes/si/zepto" y: $$inherit: "/v1.2/prefixes/si/yocto" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_1985.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_1985.y0000644000200400020040000000561015112031047032147 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/unitsystem_definition" $id: "https://schemas.optimade.org/defs/v1.2/unitsystems/si/si_1985" title: "SI 1985" description: |- The SI unit system as represented in the 5th edition of the International System of Units. The International System of Units (SI) is established and maintained by the General Conference on Weights and Measures (CGPM). This represents the SI unit system described in the 5th edition of the International System of Units in 1985. x-optimade-definition: label: "si_1985_unitsystem" kind: "unitsystem" format: "1.2" version: "1.2.0" name: "si_1985" units: s: $$inherit: "/v1.2/units/si/1967/base/second" m: $$inherit: "/v1.2/units/si/1983/base/metre" kg: $$inherit: "/v1.2/units/si/1960/base/kilogram" A: $$inherit: "/v1.2/units/si/1983/base/ampere" K: $$inherit: "/v1.2/units/si/1967/base/kelvin" mol: $$inherit: "/v1.2/units/si/1971/base/mole" cd: $$inherit: "/v1.2/units/si/1983/base/candela" rad: $$inherit: "/v1.2/units/si/1960/supplementary/radian" sr: $$inherit: "/v1.2/units/si/1960/supplementary/steradian" Hz: $$inherit: "/v1.2/units/si/1967/named/hertz" N: $$inherit: "/v1.2/units/si/1983/named/newton" Pa: $$inherit: "/v1.2/units/si/1983/named/pascal" J: $$inherit: "/v1.2/units/si/1967/named/joule" W: $$inherit: "/v1.2/units/si/1967/named/watt" C: $$inherit: "/v1.2/units/si/1967/named/coulomb" V: $$inherit: "/v1.2/units/si/1983/named/volt" F: $$inherit: "/v1.2/units/si/1983/named/farad" ohm: $$inherit: "/v1.2/units/si/1983/named/ohm" S: $$inherit: "/v1.2/units/si/1983/named/siemens" Wb: $$inherit: "/v1.2/units/si/1983/named/weber" T: $$inherit: "/v1.2/units/si/1967/named/tesla" H: $$inherit: "/v1.2/units/si/1983/named/henry" degC: $$inherit: "/v1.2/units/si/1967/named/degcelsius" lm: $$inherit: "/v1.2/units/si/1979/named/lumen" lx: $$inherit: "/v1.2/units/si/1983/named/lux" Bq: $$inherit: "/v1.2/units/si/1975/named/becquerel" Gy: $$inherit: "/v1.2/units/si/1983/named/gray" Sv: $$inherit: "/v1.2/units/si/1983/named/sievert" prefixes: E: $$inherit: "/v1.2/prefixes/si/exa" P: $$inherit: "/v1.2/prefixes/si/peta" T: $$inherit: "/v1.2/prefixes/si/tera" G: $$inherit: "/v1.2/prefixes/si/giga" M: $$inherit: "/v1.2/prefixes/si/mega" k: $$inherit: "/v1.2/prefixes/si/kilo" h: $$inherit: "/v1.2/prefixes/si/hecto" da: $$inherit: "/v1.2/prefixes/si/deca" d: $$inherit: "/v1.2/prefixes/si/deci" c: $$inherit: "/v1.2/prefixes/si/centi" m: $$inherit: "/v1.2/prefixes/si/milli" mc: $$inherit: "/v1.2/prefixes/si/micro" n: $$inherit: "/v1.2/prefixes/si/nano" p: $$inherit: "/v1.2/prefixes/si/pico" f: $$inherit: "/v1.2/prefixes/si/femto" a: $$inherit: "/v1.2/prefixes/si/atto" ././@LongLink0000644000000000000000000000016100000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_accepted_2019.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_accept0000644000200400020040000000341315112031047032530 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/unitsystem_definition" $id: "https://schemas.optimade.org/defs/v1.2/unitsystems/si/si_accepted_2019" title: "SI accepted 2019" $$inherit: "/v1.2/unitsystems/si/si_2019" description: |- The SI 2019 unit system and units accepted to be used with the SI. The International System of Units (SI) is established and maintained by the General Conference on Weights and Measures (CGPM). In the redefinition of the SI unit system in 2019 the magnitudes of all SI units are defined from declaring exact numerical values for seven defining constants when expressed in terms of their SI units. The si_extra_2019 unit system includes the prefixes and the units designated in the International System of Units (SI), 9th ed. (2019) as "Non-SI units that are accepted for use with the SI." (The general logarithmic ratio quantities, B and dB are not included.) x-optimade-definition: label: "si_accepted_2019_unitsystem" kind: "unitsystem" format: "1.2" version: "1.2.0" name: "si_accepted_2019" units: min: $$inherit: "/v1.2/units/si/1970/accepted/minute" h: $$inherit: "/v1.2/units/si/1970/accepted/hour" day: $$inherit: "/v1.2/units/si/1970/accepted/day" au: $$inherit: "/v1.2/units/si/2019/accepted/astronomicalunit" degree: $$inherit: "/v1.2/units/si/1970/accepted/degree" arcmin: $$inherit: "/v1.2/units/si/1970/accepted/arcminute" arcsec: $$inherit: "/v1.2/units/si/1970/accepted/arcsecond" ha: $$inherit: "/v1.2/units/si/1983/temporary/hectare" l: $$inherit: "/v1.2/units/si/1983/accepted/litre" t: $$inherit: "/v1.2/units/si/2019/accepted/tonne" Da: $$inherit: "/v1.2/units/si/1998/accepted/dalton" eV: $$inherit: "/v1.2/units/si/2019/accepted/electronvolt" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_1973.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_1973.y0000644000200400020040000000520515112031047032144 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/unitsystem_definition" $id: "https://schemas.optimade.org/defs/v1.2/unitsystems/si/si_1973" title: "SI 1973" description: |- The SI unit system as represented in the 2nd edition of the International System of Units. The International System of Units (SI) is established and maintained by the General Conference on Weights and Measures (CGPM). This represents the SI unit system described in the 2nd edition of the International System of Units in 1973. x-optimade-definition: label: "si_1973_unitsystem" kind: "unitsystem" format: "1.2" version: "1.2.0" name: "si_1973" units: s: $$inherit: "/v1.2/units/si/1960/base/second" m: $$inherit: "/v1.2/units/si/1960/base/metre" kg: $$inherit: "/v1.2/units/si/1960/base/kilogram" A: $$inherit: "/v1.2/units/si/1967/base/ampere" K: $$inherit: "/v1.2/units/si/1967/base/kelvin" cd: $$inherit: "/v1.2/units/si/1967/base/candela" mol: $$inherit: "/v1.2/units/si/1971/base/mole" rad: $$inherit: "/v1.2/units/si/1960/supplementary/radian" sr: $$inherit: "/v1.2/units/si/1960/supplementary/steradian" Hz: $$inherit: "/v1.2/units/si/1967/named/hertz" N: $$inherit: "/v1.2/units/si/1967/named/newton" Pa: $$inherit: "/v1.2/units/si/1971/named/pascal" J: $$inherit: "/v1.2/units/si/1967/named/joule" W: $$inherit: "/v1.2/units/si/1967/named/watt" C: $$inherit: "/v1.2/units/si/1967/named/coulomb" V: $$inherit: "/v1.2/units/si/1967/named/volt" F: $$inherit: "/v1.2/units/si/1967/named/farad" ohm: $$inherit: "/v1.2/units/si/1967/named/ohm" S: $$inherit: "/v1.2/units/si/1971/named/siemens" Wb: $$inherit: "/v1.2/units/si/1967/named/weber" T: $$inherit: "/v1.2/units/si/1967/named/tesla" H: $$inherit: "/v1.2/units/si/1967/named/henry" degC: $$inherit: "/v1.2/units/si/1967/named/degcelsius" lm: $$inherit: "/v1.2/units/si/1967/named/lumen" lx: $$inherit: "/v1.2/units/si/1967/named/lux" prefixes: T: $$inherit: "/v1.2/prefixes/si/tera" G: $$inherit: "/v1.2/prefixes/si/giga" M: $$inherit: "/v1.2/prefixes/si/mega" k: $$inherit: "/v1.2/prefixes/si/kilo" h: $$inherit: "/v1.2/prefixes/si/hecto" da: $$inherit: "/v1.2/prefixes/si/deca" d: $$inherit: "/v1.2/prefixes/si/deci" c: $$inherit: "/v1.2/prefixes/si/centi" m: $$inherit: "/v1.2/prefixes/si/milli" mc: $$inherit: "/v1.2/prefixes/si/micro" n: $$inherit: "/v1.2/prefixes/si/nano" p: $$inherit: "/v1.2/prefixes/si/pico" f: $$inherit: "/v1.2/prefixes/si/femto" a: $$inherit: "/v1.2/prefixes/si/atto" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_2019.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_2019.y0000644000200400020040000000700515112031047032134 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/unitsystem_definition" $id: "https://schemas.optimade.org/defs/v1.2/unitsystems/si/si_2019" title: "SI 2019" description: |- The SI 2019 unit system as represented in the 9th edition (v1.06) of the International System of Units. The International System of Units (SI) is established and maintained by the General Conference on Weights and Measures (CGPM). In the redefinition of the SI unit system in 2019 the magnitudes of all SI units are defined from declaring exact numerical values for seven defining constants when expressed in terms of their SI units. The SI 2019 unit system represents the original publication of the 9th edition of the International System of Units in March 2019 (marked v1.06). The 9th edition was later updated in 2022 with new SI prefixes defined at the 27th CGPM meeting in 2022. These prefixes are not included. x-optimade-definition: label: "si_2019_unitsystem" kind: "unitsystem" format: "1.2" version: "1.2.0" name: "si_2019" units: s: $$inherit: "/v1.2/units/si/1967/base/second" m: $$inherit: "/v1.2/units/si/1983/base/metre" kg: $$inherit: "/v1.2/units/si/2019/base/kilogram" A: $$inherit: "/v1.2/units/si/2019/base/ampere" K: $$inherit: "/v1.2/units/si/2019/base/kelvin" mol: $$inherit: "/v1.2/units/si/2019/base/mole" cd: $$inherit: "/v1.2/units/si/2019/base/candela" rad: $$inherit: "/v1.2/units/si/1960/supplementary/radian" sr: $$inherit: "/v1.2/units/si/1960/supplementary/steradian" Bq: $$inherit: "/v1.2/units/si/1975/named/becquerel" C: $$inherit: "/v1.2/units/si/2019/named/coulomb" degC: $$inherit: "/v1.2/units/si/2019/named/degcelsius" F: $$inherit: "/v1.2/units/si/2019/named/farad" Gy: $$inherit: "/v1.2/units/si/1983/named/gray" H: $$inherit: "/v1.2/units/si/2019/named/henry" Hz: $$inherit: "/v1.2/units/si/1967/named/hertz" J: $$inherit: "/v1.2/units/si/2019/named/joule" kat: $$inherit: "/v1.2/units/si/2019/named/katal" lm: $$inherit: "/v1.2/units/si/2019/named/lumen" lx: $$inherit: "/v1.2/units/si/2019/named/lux" N: $$inherit: "/v1.2/units/si/2019/named/newton" ohm: $$inherit: "/v1.2/units/si/2019/named/ohm" Pa: $$inherit: "/v1.2/units/si/2019/named/pascal" S: $$inherit: "/v1.2/units/si/2019/named/siemens" Sv: $$inherit: "/v1.2/units/si/1983/named/sievert" T: $$inherit: "/v1.2/units/si/2019/named/tesla" V: $$inherit: "/v1.2/units/si/2019/named/volt" W: $$inherit: "/v1.2/units/si/2019/named/watt" Wb: $$inherit: "/v1.2/units/si/2019/named/weber" prefixes: Y: $$inherit: "/v1.2/prefixes/si/yotta" Z: $$inherit: "/v1.2/prefixes/si/zetta" E: $$inherit: "/v1.2/prefixes/si/exa" P: $$inherit: "/v1.2/prefixes/si/peta" T: $$inherit: "/v1.2/prefixes/si/tera" G: $$inherit: "/v1.2/prefixes/si/giga" M: $$inherit: "/v1.2/prefixes/si/mega" k: $$inherit: "/v1.2/prefixes/si/kilo" h: $$inherit: "/v1.2/prefixes/si/hecto" da: $$inherit: "/v1.2/prefixes/si/deca" d: $$inherit: "/v1.2/prefixes/si/deci" c: $$inherit: "/v1.2/prefixes/si/centi" m: $$inherit: "/v1.2/prefixes/si/milli" mc: $$inherit: "/v1.2/prefixes/si/micro" n: $$inherit: "/v1.2/prefixes/si/nano" p: $$inherit: "/v1.2/prefixes/si/pico" f: $$inherit: "/v1.2/prefixes/si/femto" a: $$inherit: "/v1.2/prefixes/si/atto" z: $$inherit: "/v1.2/prefixes/si/zepto" y: $$inherit: "/v1.2/prefixes/si/yocto" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_general.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_genera0000644000200400020040000001207715112031047032540 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/unitsystem_definition" $id: "https://schemas.optimade.org/defs/v1.2/unitsystems/si/si_general" title: "SI general" description: |- The SI unit system, using current or historical definitions of the SI units. The International System of Units (SI) is established and maintained by the General Conference on Weights and Measures (CGPM). The si_general unit system includes all prefixes defined by SI (including the non-SI binary ones), and all units that have either been part of the SI unit system or categorized as accepted for use with the SI. x-optimade-definition: label: "si_general_unitsystem" kind: "unitsystem" format: "1.2" version: "1.2.0" name: "si_general" units: A: $$inherit: "/v1.2/units/si/general/ampere" angstrom: $$inherit: "/v1.2/units/si/general/angstrom" arcmin: $$inherit: "/v1.2/units/si/general/arcminute" arcsec: $$inherit: "/v1.2/units/si/general/arcsecond" a: $$inherit: "/v1.2/units/si/general/are" au: $$inherit: "/v1.2/units/si/general/astronomicalunit" atm: $$inherit: "/v1.2/units/si/general/atmosphere" u: $$inherit: "/v1.2/units/si/general/atomicmassunit" b: $$inherit: "/v1.2/units/si/general/barn" bar: $$inherit: "/v1.2/units/si/general/bar" Bq: $$inherit: "/v1.2/units/si/general/becquerel" cd: $$inherit: "/v1.2/units/si/general/candela" C: $$inherit: "/v1.2/units/si/general/coulomb" Ci: $$inherit: "/v1.2/units/si/general/curie" Da: $$inherit: "/v1.2/units/si/general/dalton" day: $$inherit: "/v1.2/units/si/general/day" degC: $$inherit: "/v1.2/units/si/general/degcelsius" degree: $$inherit: "/v1.2/units/si/general/degree" eV: $$inherit: "/v1.2/units/si/general/electronvolt" F: $$inherit: "/v1.2/units/si/general/farad" Gal: $$inherit: "/v1.2/units/si/general/gal" Gy: $$inherit: "/v1.2/units/si/general/gray" ha: $$inherit: "/v1.2/units/si/general/hectare" H: $$inherit: "/v1.2/units/si/general/henry" Hz: $$inherit: "/v1.2/units/si/general/hertz" h: $$inherit: "/v1.2/units/si/general/hour" J: $$inherit: "/v1.2/units/si/general/joule" kat: $$inherit: "/v1.2/units/si/general/katal" K: $$inherit: "/v1.2/units/si/general/kelvin" kg: $$inherit: "/v1.2/units/si/general/kilogram" knot: $$inherit: "/v1.2/units/si/general/knot" l: $$inherit: "/v1.2/units/si/general/litre" lm: $$inherit: "/v1.2/units/si/general/lumen" lx: $$inherit: "/v1.2/units/si/general/lux" m: $$inherit: "/v1.2/units/si/general/metre" min: $$inherit: "/v1.2/units/si/general/minute" mol: $$inherit: "/v1.2/units/si/general/mole" M: $$inherit: "/v1.2/units/si/general/nauticalmile" N: $$inherit: "/v1.2/units/si/general/newton" ohm: $$inherit: "/v1.2/units/si/general/ohm" pc: $$inherit: "/v1.2/units/si/general/parsec" Pa: $$inherit: "/v1.2/units/si/general/pascal" rad: $$inherit: "/v1.2/units/si/general/radian" radiationunit: $$inherit: "/v1.2/units/si/general/radiationunit" rem: $$inherit: "/v1.2/units/si/general/rem" R: $$inherit: "/v1.2/units/si/general/roentgen" s: $$inherit: "/v1.2/units/si/general/second" S: $$inherit: "/v1.2/units/si/general/siemens" Sv: $$inherit: "/v1.2/units/si/general/sievert" sr: $$inherit: "/v1.2/units/si/general/steradian" T: $$inherit: "/v1.2/units/si/general/tesla" t: $$inherit: "/v1.2/units/si/general/tonne" V: $$inherit: "/v1.2/units/si/general/volt" W: $$inherit: "/v1.2/units/si/general/watt" Wb: $$inherit: "/v1.2/units/si/general/weber" prefixes: Y: $$inherit: "/v1.2/prefixes/si/yotta" Z: $$inherit: "/v1.2/prefixes/si/zetta" E: $$inherit: "/v1.2/prefixes/si/exa" P: $$inherit: "/v1.2/prefixes/si/peta" T: $$inherit: "/v1.2/prefixes/si/tera" G: $$inherit: "/v1.2/prefixes/si/giga" M: $$inherit: "/v1.2/prefixes/si/mega" k: $$inherit: "/v1.2/prefixes/si/kilo" h: $$inherit: "/v1.2/prefixes/si/hecto" da: $$inherit: "/v1.2/prefixes/si/deca" d: $$inherit: "/v1.2/prefixes/si/deci" c: $$inherit: "/v1.2/prefixes/si/centi" m: $$inherit: "/v1.2/prefixes/si/milli" mc: $$inherit: "/v1.2/prefixes/si/micro" n: $$inherit: "/v1.2/prefixes/si/nano" p: $$inherit: "/v1.2/prefixes/si/pico" f: $$inherit: "/v1.2/prefixes/si/femto" a: $$inherit: "/v1.2/prefixes/si/atto" z: $$inherit: "/v1.2/prefixes/si/zepto" y: $$inherit: "/v1.2/prefixes/si/yocto" Q: $$inherit: "/v1.2/prefixes/si/quetta" R: $$inherit: "/v1.2/prefixes/si/ronna" r: $$inherit: "/v1.2/prefixes/si/ronto" q: $$inherit: "/v1.2/prefixes/si/quecto" Ei: $$inherit: "/v1.2/prefixes/si/exbi" Gi: $$inherit: "/v1.2/prefixes/si/gibi" Ki: $$inherit: "/v1.2/prefixes/si/kibi" Mi: $$inherit: "/v1.2/prefixes/si/mebi" Pi: $$inherit: "/v1.2/prefixes/si/pebi" Ti: $$inherit: "/v1.2/prefixes/si/tebi" Yi: $$inherit: "/v1.2/prefixes/si/yobi" Zi: $$inherit: "/v1.2/prefixes/si/zebi" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_1981.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_1981.y0000644000200400020040000000561015112031047032143 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/unitsystem_definition" $id: "https://schemas.optimade.org/defs/v1.2/unitsystems/si/si_1981" title: "SI 1981" description: |- The SI unit system as represented in the 4th edition of the International System of Units. The International System of Units (SI) is established and maintained by the General Conference on Weights and Measures (CGPM). This represents the SI unit system described in the 4th edition of the International System of Units in 1981. x-optimade-definition: label: "si_1981_unitsystem" kind: "unitsystem" format: "1.2" version: "1.2.0" name: "si_1981" units: s: $$inherit: "/v1.2/units/si/1967/base/second" m: $$inherit: "/v1.2/units/si/1960/base/metre" kg: $$inherit: "/v1.2/units/si/1960/base/kilogram" A: $$inherit: "/v1.2/units/si/1967/base/ampere" K: $$inherit: "/v1.2/units/si/1967/base/kelvin" mol: $$inherit: "/v1.2/units/si/1971/base/mole" cd: $$inherit: "/v1.2/units/si/1967/base/candela" rad: $$inherit: "/v1.2/units/si/1960/supplementary/radian" sr: $$inherit: "/v1.2/units/si/1960/supplementary/steradian" Hz: $$inherit: "/v1.2/units/si/1967/named/hertz" N: $$inherit: "/v1.2/units/si/1967/named/newton" Pa: $$inherit: "/v1.2/units/si/1971/named/pascal" J: $$inherit: "/v1.2/units/si/1967/named/joule" W: $$inherit: "/v1.2/units/si/1967/named/watt" C: $$inherit: "/v1.2/units/si/1967/named/coulomb" V: $$inherit: "/v1.2/units/si/1967/named/volt" F: $$inherit: "/v1.2/units/si/1967/named/farad" ohm: $$inherit: "/v1.2/units/si/1967/named/ohm" S: $$inherit: "/v1.2/units/si/1971/named/siemens" Wb: $$inherit: "/v1.2/units/si/1967/named/weber" T: $$inherit: "/v1.2/units/si/1967/named/tesla" H: $$inherit: "/v1.2/units/si/1967/named/henry" degC: $$inherit: "/v1.2/units/si/1967/named/degcelsius" lm: $$inherit: "/v1.2/units/si/1979/named/lumen" lx: $$inherit: "/v1.2/units/si/1967/named/lux" Bq: $$inherit: "/v1.2/units/si/1975/named/becquerel" Gy: $$inherit: "/v1.2/units/si/1975/named/gray" Sv: $$inherit: "/v1.2/units/si/1979/named/sievert" prefixes: E: $$inherit: "/v1.2/prefixes/si/exa" P: $$inherit: "/v1.2/prefixes/si/peta" T: $$inherit: "/v1.2/prefixes/si/tera" G: $$inherit: "/v1.2/prefixes/si/giga" M: $$inherit: "/v1.2/prefixes/si/mega" k: $$inherit: "/v1.2/prefixes/si/kilo" h: $$inherit: "/v1.2/prefixes/si/hecto" da: $$inherit: "/v1.2/prefixes/si/deca" d: $$inherit: "/v1.2/prefixes/si/deci" c: $$inherit: "/v1.2/prefixes/si/centi" m: $$inherit: "/v1.2/prefixes/si/milli" mc: $$inherit: "/v1.2/prefixes/si/micro" n: $$inherit: "/v1.2/prefixes/si/nano" p: $$inherit: "/v1.2/prefixes/si/pico" f: $$inherit: "/v1.2/prefixes/si/femto" a: $$inherit: "/v1.2/prefixes/si/atto" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_1970.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_1970.y0000644000200400020040000000473715112031047032152 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/unitsystem_definition" $id: "https://schemas.optimade.org/defs/v1.2/unitsystems/si/si_1970" title: "SI 1970" description: |- The SI unit system as represented in the 1st edition of the International System of Units. The International System of Units (SI) is established and maintained by the General Conference on Weights and Measures (CGPM). This represents the SI unit system described in the 1st edition of the International System of Units in 1970. x-optimade-definition: label: "si_1970_unitsystem" kind: "unitsystem" format: "1.2" version: "1.2.0" name: "si_1970" units: s: $$inherit: "/v1.2/units/si/1960/base/second" m: $$inherit: "/v1.2/units/si/1960/base/metre" kg: $$inherit: "/v1.2/units/si/1960/base/kilogram" A: $$inherit: "/v1.2/units/si/1967/base/ampere" K: $$inherit: "/v1.2/units/si/1967/base/kelvin" cd: $$inherit: "/v1.2/units/si/1967/base/candela" rad: $$inherit: "/v1.2/units/si/1960/supplementary/radian" sr: $$inherit: "/v1.2/units/si/1960/supplementary/steradian" Hz: $$inherit: "/v1.2/units/si/1967/named/hertz" N: $$inherit: "/v1.2/units/si/1967/named/newton" J: $$inherit: "/v1.2/units/si/1967/named/joule" W: $$inherit: "/v1.2/units/si/1967/named/watt" C: $$inherit: "/v1.2/units/si/1967/named/coulomb" V: $$inherit: "/v1.2/units/si/1967/named/volt" F: $$inherit: "/v1.2/units/si/1967/named/farad" ohm: $$inherit: "/v1.2/units/si/1967/named/ohm" Wb: $$inherit: "/v1.2/units/si/1967/named/weber" T: $$inherit: "/v1.2/units/si/1967/named/tesla" H: $$inherit: "/v1.2/units/si/1967/named/henry" degC: $$inherit: "/v1.2/units/si/1967/named/degcelsius" lm: $$inherit: "/v1.2/units/si/1967/named/lumen" lx: $$inherit: "/v1.2/units/si/1967/named/lux" prefixes: T: $$inherit: "/v1.2/prefixes/si/tera" G: $$inherit: "/v1.2/prefixes/si/giga" M: $$inherit: "/v1.2/prefixes/si/mega" k: $$inherit: "/v1.2/prefixes/si/kilo" h: $$inherit: "/v1.2/prefixes/si/hecto" da: $$inherit: "/v1.2/prefixes/si/deca" d: $$inherit: "/v1.2/prefixes/si/deci" c: $$inherit: "/v1.2/prefixes/si/centi" m: $$inherit: "/v1.2/prefixes/si/milli" mc: $$inherit: "/v1.2/prefixes/si/micro" n: $$inherit: "/v1.2/prefixes/si/nano" p: $$inherit: "/v1.2/prefixes/si/pico" f: $$inherit: "/v1.2/prefixes/si/femto" a: $$inherit: "/v1.2/prefixes/si/atto" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_1998.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_1998.y0000644000200400020040000000610015112031047032146 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/unitsystem_definition" $id: "https://schemas.optimade.org/defs/v1.2/unitsystems/si/si_1998" title: "SI 1998" description: |- The SI unit system as represented in the 7th edition of the International System of Units. The International System of Units (SI) is established and maintained by the General Conference on Weights and Measures (CGPM). This represents the SI unit system described in the 7th edition of the International System of Units in 1998. x-optimade-definition: label: "si_1998_unitsystem" kind: "unitsystem" format: "1.2" version: "1.2.0" name: "si_1998" units: s: $$inherit: "/v1.2/units/si/1967/base/second" m: $$inherit: "/v1.2/units/si/1983/base/metre" kg: $$inherit: "/v1.2/units/si/1960/base/kilogram" A: $$inherit: "/v1.2/units/si/1983/base/ampere" K: $$inherit: "/v1.2/units/si/1967/base/kelvin" mol: $$inherit: "/v1.2/units/si/1971/base/mole" cd: $$inherit: "/v1.2/units/si/1983/base/candela" rad: $$inherit: "/v1.2/units/si/1960/supplementary/radian" sr: $$inherit: "/v1.2/units/si/1960/supplementary/steradian" Hz: $$inherit: "/v1.2/units/si/1967/named/hertz" N: $$inherit: "/v1.2/units/si/1983/named/newton" Pa: $$inherit: "/v1.2/units/si/1983/named/pascal" J: $$inherit: "/v1.2/units/si/1967/named/joule" W: $$inherit: "/v1.2/units/si/1967/named/watt" C: $$inherit: "/v1.2/units/si/1967/named/coulomb" V: $$inherit: "/v1.2/units/si/1983/named/volt" F: $$inherit: "/v1.2/units/si/1983/named/farad" ohm: $$inherit: "/v1.2/units/si/1983/named/ohm" S: $$inherit: "/v1.2/units/si/1983/named/siemens" Wb: $$inherit: "/v1.2/units/si/1983/named/weber" T: $$inherit: "/v1.2/units/si/1967/named/tesla" H: $$inherit: "/v1.2/units/si/1983/named/henry" degC: $$inherit: "/v1.2/units/si/1967/named/degcelsius" lm: $$inherit: "/v1.2/units/si/1979/named/lumen" lx: $$inherit: "/v1.2/units/si/1983/named/lux" Bq: $$inherit: "/v1.2/units/si/1975/named/becquerel" Gy: $$inherit: "/v1.2/units/si/1983/named/gray" Sv: $$inherit: "/v1.2/units/si/1983/named/sievert" prefixes: Y: $$inherit: "/v1.2/prefixes/si/yotta" Z: $$inherit: "/v1.2/prefixes/si/zetta" E: $$inherit: "/v1.2/prefixes/si/exa" P: $$inherit: "/v1.2/prefixes/si/peta" T: $$inherit: "/v1.2/prefixes/si/tera" G: $$inherit: "/v1.2/prefixes/si/giga" M: $$inherit: "/v1.2/prefixes/si/mega" k: $$inherit: "/v1.2/prefixes/si/kilo" h: $$inherit: "/v1.2/prefixes/si/hecto" da: $$inherit: "/v1.2/prefixes/si/deca" d: $$inherit: "/v1.2/prefixes/si/deci" c: $$inherit: "/v1.2/prefixes/si/centi" m: $$inherit: "/v1.2/prefixes/si/milli" mc: $$inherit: "/v1.2/prefixes/si/micro" n: $$inherit: "/v1.2/prefixes/si/nano" p: $$inherit: "/v1.2/prefixes/si/pico" f: $$inherit: "/v1.2/prefixes/si/femto" a: $$inherit: "/v1.2/prefixes/si/atto" z: $$inherit: "/v1.2/prefixes/si/zepto" y: $$inherit: "/v1.2/prefixes/si/yocto" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_1977.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/si/si_1977.y0000644000200400020040000000551715112031047032156 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/unitsystem_definition" $id: "https://schemas.optimade.org/defs/v1.2/unitsystems/si/si_1977" title: "SI 1977" description: |- The SI unit system as represented in the 3rd edition of the International System of Units. The International System of Units (SI) is established and maintained by the General Conference on Weights and Measures (CGPM). This represents the SI unit system described in the 3rd edition of the International System of Units in 1977. x-optimade-definition: label: "si_1977_unitsystem" kind: "unitsystem" format: "1.2" version: "1.2.0" name: "si_1977" units: s: $$inherit: "/v1.2/units/si/1967/base/second" m: $$inherit: "/v1.2/units/si/1960/base/metre" kg: $$inherit: "/v1.2/units/si/1960/base/kilogram" A: $$inherit: "/v1.2/units/si/1967/base/ampere" K: $$inherit: "/v1.2/units/si/1967/base/kelvin" mol: $$inherit: "/v1.2/units/si/1971/base/mole" cd: $$inherit: "/v1.2/units/si/1967/base/candela" rad: $$inherit: "/v1.2/units/si/1960/supplementary/radian" sr: $$inherit: "/v1.2/units/si/1960/supplementary/steradian" Hz: $$inherit: "/v1.2/units/si/1967/named/hertz" N: $$inherit: "/v1.2/units/si/1967/named/newton" Pa: $$inherit: "/v1.2/units/si/1971/named/pascal" J: $$inherit: "/v1.2/units/si/1967/named/joule" W: $$inherit: "/v1.2/units/si/1967/named/watt" C: $$inherit: "/v1.2/units/si/1967/named/coulomb" V: $$inherit: "/v1.2/units/si/1967/named/volt" F: $$inherit: "/v1.2/units/si/1967/named/farad" ohm: $$inherit: "/v1.2/units/si/1967/named/ohm" S: $$inherit: "/v1.2/units/si/1971/named/siemens" Wb: $$inherit: "/v1.2/units/si/1967/named/weber" T: $$inherit: "/v1.2/units/si/1967/named/tesla" H: $$inherit: "/v1.2/units/si/1967/named/henry" degC: $$inherit: "/v1.2/units/si/1967/named/degcelsius" lm: $$inherit: "/v1.2/units/si/1967/named/lumen" lx: $$inherit: "/v1.2/units/si/1967/named/lux" Bq: $$inherit: "/v1.2/units/si/1975/named/becquerel" Gy: $$inherit: "/v1.2/units/si/1975/named/gray" prefixes: E: $$inherit: "/v1.2/prefixes/si/exa" P: $$inherit: "/v1.2/prefixes/si/peta" T: $$inherit: "/v1.2/prefixes/si/tera" G: $$inherit: "/v1.2/prefixes/si/giga" M: $$inherit: "/v1.2/prefixes/si/mega" k: $$inherit: "/v1.2/prefixes/si/kilo" h: $$inherit: "/v1.2/prefixes/si/hecto" da: $$inherit: "/v1.2/prefixes/si/deca" d: $$inherit: "/v1.2/prefixes/si/deci" c: $$inherit: "/v1.2/prefixes/si/centi" m: $$inherit: "/v1.2/prefixes/si/milli" mc: $$inherit: "/v1.2/prefixes/si/micro" n: $$inherit: "/v1.2/prefixes/si/nano" p: $$inherit: "/v1.2/prefixes/si/pico" f: $$inherit: "/v1.2/prefixes/si/femto" a: $$inherit: "/v1.2/prefixes/si/atto" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/optimade/0000775000200400020040000000000015112031047032043 5ustar andriusandrius././@LongLink0000644000000000000000000000015700000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/optimade/optimade.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/unitsystems/optimade/opt0000644000200400020040000000133615112031047032571 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/unitsystem_definition" $id: "https://schemas.optimade.org/defs/v1.2/unitsystems/optimade/optimade" title: "OPTIMADE" description: |- A combination of SI and non-SI units in common use suitable for use with OPTIMADE. This unit system combines SI units (including units accepted for use with the SI), the bit, and the byte unit. $$inherit: "/v1.2/unitsystems/si/si_general" x-optimade-definition: label: "optimade_unitsystem" kind: "unitsystem" format: "1.2" version: "1.2.0" name: "optimade" units: bit: $$inherit: "/v1.2/units/independent/1948/information/bit" B: $$inherit: "/v1.2/units/iso-iec-80000/2008/information_science_and_technology/byte" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/constants/0000775000200400020040000000000015112031047027646 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/constants/codata/0000775000200400020040000000000015112031047031101 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/constants/codata/2018/0000775000200400020040000000000015112031047031473 5ustar andriusandrius././@LongLink0000644000000000000000000000016300000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/constants/codata/2018/electromagnetic/OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/constants/codata/2018/el0000775000200400020040000000000015112031047032014 5ustar andriusandrius././@LongLink0000644000000000000000000000020400000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/constants/codata/2018/electromagnetic/bohrmagneton.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/constants/codata/2018/el0000644000200400020040000000247415112031047032023 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/constant_definition" $id: "https://schemas.optimade.org/defs/v1.2/constants/codata/2018/electromagnetic/bohrmagneton" title: "Bohr magneton" symbol: "bohrmagneton" display-symbol: '\(\mu_B\)' description: |- The 2018 CODATA Bohr magneton constant is defined as "1 \(\mu_B\) = 9.274 010 0783(28)·10⁻²⁴ J·T⁻¹" with joule and tesla conforming to the 2019 redefinition of the SI derived units. resources: - relation: "2018 CODATA value Bohr magneton: source for relationship to SI units" resource-id: "https://physics.nist.gov/cgi-bin/cuu/Value?mub" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Bohr_magneton" defining-relation: base-units: - symbol: "J" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/joule" - symbol: "T" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/tesla" base-units-expression: "J*T^-1" scale: numerator: 92740100783 exponent: -34 standard_uncertainty: 0.00000000028E-24 standard: name: "codata" year: 2018 category: "electromagnetic" symbol: '\(\mu_B\)' x-optimade-definition: label: "bohrmagneton_constant_codata_2018_electromagnetic" kind: "constant" format: "1.2" version: "1.2.0" name: "bohrmagneton" ././@LongLink0000644000000000000000000000021000000000000011574 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/constants/codata/2018/electromagnetic/elementarycharge.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/constants/codata/2018/el0000644000200400020040000000255615112031047032024 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/constant_definition" $id: "https://schemas.optimade.org/defs/v1.2/constants/codata/2018/electromagnetic/elementarycharge" title: "elementary charge" symbol: "e" display-symbol: '\(e\)' description: |- The CODATA 2018 value for the absolute value of the charge of the electron. This constant is described in Rev. Mod. Phys. 93, 025010 (2021) as "Absolute value of the charge of the electron and one of the seven defining constants of the SI". It is exactly 1.602176634·10⁻¹⁹ C following the 2019 redefinition of the SI base units. resources: - relation: "Definition in: E. Tiesinga, P. J. Mohr, D. B. Newell, and B. N. Taylor, Rev. Mod. Phys. 93, 025010 (2021)" resource-id: "https://doi.org/10.1103/RevModPhys.93.025010" - relation: "Wikipedia article describing the constant" resource-id: "https://en.wikipedia.org/wiki/Elementary_charge" defining-relation: base-units: - symbol: "C" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/coulomb" base-units-expression: "C" scale: numerator: 1602176634 exponent: -28 standard: name: "codata" year: 2018 category: "electromagnetic" symbol: "e" x-optimade-definition: label: "elementary_charge_constant_codata_2019_electromagnetic" kind: "constant" format: "1.2" version: "1.2.0" name: "elementarycharge" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/constants/math/0000775000200400020040000000000015112031047030577 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/constants/math/basic/0000775000200400020040000000000015112031047031660 5ustar andriusandrius././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/constants/math/basic/pi.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/constants/math/basic/pi.0000644000200400020040000000367315112031047032300 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/constant_definition" $id: "https://schemas.optimade.org/defs/v1.2/constants/math/basic/pi" title: "pi" symbol: "pi" display-symbol: "π" description: |- The ratio of a circle's circumference to its diameter. Approximately equal to 3.1415926. An early definition of π as the symbol for the ratio of a circle's circumference to its diameter goes back to William Jones, Synopsis Palmariorum Matheseos (1706), page 263. resources: - relation: "Definition in William Jones, Synopsis Palmariorum Matheseos (1706)" resource-id: "https://archive.org/details/SynopsisPalmariorumMatheseosOrANewIntroductionToTheMathematics/page/n283/" - relation: "Wikipedia article describing the constant" resource-id: "https://en.wikipedia.org/wiki/Pi" approximate-relations: - scale: value: 3.141592653589793238462643383279502884197169399375105820974944592307816406286208998628034825342117067982148086513282306647093844609550582231725359408128481117450284102701938521105559644622948954930381964428810975665933446128475648233786783165271201909145648566923460348610454326648213393607260249141273724587006606315588174881520920962829254091715364367892590360011330530548820466521384146951941511609433057270365759591953092186117381932611793105118548074462379962749567351885752724891227938183011949129833673362440656643086021394946395224737190702179860943702770539217176293176752384674818467669405132000568127145263560827785771342757789609173637178721468440901224953430146549585371050792279689258923542019956112129021960864034418159813629774771309960518707211349999998372978049951059731732816096318595024459455346908302642522308253344685035261931188171010003137838752886587533208381420617177669147303598253490428755468731159562863882353787593751957781857780532171226806613001927876611195909216420199 x-optimade-definition: label: "pi_constant_math_basic" kind: "constant" format: "1.2" version: "1.2.0" name: "pi" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/0000775000200400020040000000000015112031047027457 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/0000775000200400020040000000000015112031047030072 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/yobi.yaml0000644000200400020040000000156315112031047031723 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/yobi" title: "yobi" symbol: "Yi" display-symbol: "Yi" description: "The yobi prefix as a dimensionless multiple of 2⁸⁰ is one of a set of recommended prefixes in the International System of Units (SI), 9th Edition for referring to powers of 2." resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: base: 2 exponent: 80 x-optimade-definition: label: "yobi_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "yobi" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/atto.yaml0000644000200400020040000000147315112031047031730 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/atto" title: "atto" symbol: "a" display-symbol: "a" description: "The atto SI prefix defined as a dimensionless multiple of 10⁻¹⁸, defined at the 12th CGPM Meeting in 1964, resolution 8." resources: - relation: "Definition in the 12th CGPM Meeting in 1964, resolution 8" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/12-1964/resolution-8" - relation: "Wikipedia article describing the SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: exponent: -18 x-optimade-definition: label: "atto_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "atto" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/deca.yaml0000644000200400020040000000150115112031047031645 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/deca" title: "deca" symbol: "da" display-symbol: "da" description: "The deca SI prefix defined as a dimensionless multiple of 10, adopted into SI at its creation at the 11th CGPM Meeting in 1960, resolution 12." resources: - relation: "Definition in the 11th CGPM Meeting in 1960, resolution 12" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the prefix" resource-id: "https://en.wikipedia.org/wiki/Deca-" defining-relation: base-units: [] base-units-expression: "" scale: exponent: 1 x-optimade-definition: label: "deca_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "deca" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/kibi.yaml0000644000200400020040000000157115112031047031676 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/kibi" title: "kibi" symbol: "Ki" display-symbol: "Ki" description: "The kibi prefix as a dimensionless multiple of 2¹⁰ = 1024 is one of a set of recommended prefixes in the International System of Units (SI), 9th Edition for referring to powers of 2." resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: base: 2 exponent: 10 x-optimade-definition: label: "kibi_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "kibi" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/femto.yaml0000644000200400020040000000147415112031047032074 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/femto" title: "femto" symbol: "f" display-symbol: "f" description: "The femto SI prefix defined as a dimensionless multiple of 10⁻¹⁵, defined at the 12th CGPM Meeting in 1964, resolution 8." resources: - relation: "Definition in the 12th CGPM Meeting in 1964, resolution 8" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/12-1964/resolution-8" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: exponent: -15 x-optimade-definition: label: "femto_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "femto" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/ronna.yaml0000644000200400020040000000144615112031047032076 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/ronna" title: "ronna" symbol: "R" display-symbol: "R" description: "The ronna SI prefix defined as a dimensionless multiple of 10²⁷, defined at the 27th CGPM Meeting in 2022, resolution 3." resources: - relation: "Definition in the 27th CGPM Meeting in 2022, resolution 3" resource-id: "https://www.bipm.org/en/cgpm-2022/resolution-3" - relation: "Wikipedia article describing the prefix" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: exponent: 27 x-optimade-definition: label: "ronna_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "ronna" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/nano.yaml0000644000200400020040000000150615112031047031711 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/nano" title: "nano" symbol: "n" display-symbol: "n" description: "The nano SI prefix defined as a dimensionless multiple of 10⁻⁹, adopted into SI at its creation at the 11th CGPM Meeting in 1960, resolution 12." resources: - relation: "Definition in the 11th CGPM Meeting in 1960, resolution 12" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the prefix" resource-id: "https://en.wikipedia.org/wiki/Nano-" defining-relation: base-units: [] base-units-expression: "" scale: exponent: -9 x-optimade-definition: label: "nano_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "nano" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/milli.yaml0000644000200400020040000000151315112031047032062 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/milli" title: "milli" symbol: "m" display-symbol: "m" description: "The milli SI prefix defined as a dimensionless multiple of 10⁻³, adopted into SI at its creation at the 11th CGPM Meeting in 1960, resolution 12." resources: - relation: "Definition in the 11th CGPM Meeting in 1960, resolution 12" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the prefix" resource-id: "https://en.wikipedia.org/wiki/Milli-" defining-relation: base-units: [] base-units-expression: "" scale: exponent: -3 x-optimade-definition: label: "milli_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "milli" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/exbi.yaml0000644000200400020040000000156315112031047031710 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/exbi" title: "exbi" symbol: "Ei" display-symbol: "Ei" description: "The exbi prefix as a dimensionless multiple of 2⁶⁰ is one of a set of recommended prefixes in the International System of Units (SI), 9th Edition for referring to powers of 2." resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: base: 2 exponent: 60 x-optimade-definition: label: "exbi_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "exbi" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/pico.yaml0000644000200400020040000000152515112031047031711 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/pico" title: "pico" symbol: "p" display-symbol: "p" description: "The pico SI prefix defined as a dimensionless multiple of 10⁻¹², adopted into SI at its creation at the 11th CGPM Meeting in 1960, resolution 12." resources: - relation: "Definition in the 11th CGPM Meeting in 1960, resolution 12" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: exponent: -12 x-optimade-definition: label: "pico_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "pico" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/centi.yaml0000644000200400020040000000151315112031047032056 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/centi" title: "centi" symbol: "c" display-symbol: "c" description: "The centi SI prefix defined as a dimensionless multiple of 10⁻², adopted into SI at its creation at the 11th CGPM Meeting in 1960, resolution 12." resources: - relation: "Definition in the 11th CGPM Meeting in 1960, resolution 12" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the prefix" resource-id: "https://en.wikipedia.org/wiki/Centi-" defining-relation: base-units: [] base-units-expression: "" scale: exponent: -2 x-optimade-definition: label: "centi_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "centi" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/pebi.yaml0000644000200400020040000000156315112031047031700 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/pebi" title: "pebi" symbol: "Pi" display-symbol: "Pi" description: "The pebi prefix as a dimensionless multiple of 2⁵⁰ is one of a set of recommended prefixes in the International System of Units (SI), 9th Edition for referring to powers of 2." resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: base: 2 exponent: 50 x-optimade-definition: label: "pebi_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "pebi" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/tera.yaml0000644000200400020040000000152115112031047031706 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/tera" title: "tera" symbol: "T" display-symbol: "T" description: "The tera SI prefix defined as a dimensionless multiple of 10¹², adopted into SI at its creation at the 11th CGPM Meeting in 1960, resolution 12." resources: - relation: "Definition in the 11th CGPM Meeting in 1960, resolution 12" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: exponent: 12 x-optimade-definition: label: "tera_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "tera" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/tebi.yaml0000644000200400020040000000156315112031047031704 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/tebi" title: "tebi" symbol: "Ti" display-symbol: "Ti" description: "The tebi prefix as a dimensionless multiple of 2⁴⁰ is one of a set of recommended prefixes in the International System of Units (SI), 9th Edition for referring to powers of 2." resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: base: 2 exponent: 40 x-optimade-definition: label: "tebi_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "tebi" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/ronto.yaml0000644000200400020040000000145315112031047032120 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/ronto" title: "ronto" symbol: "r" display-symbol: "r" description: "The ronto SI prefix defined as a dimensionless multiple of 10⁻²⁷, defined at the 27th CGPM Meeting in 2022, resolution 3." resources: - relation: "Definition in the 27th CGPM Meeting in 2022, resolution 3" resource-id: "https://www.bipm.org/en/cgpm-2022/resolution-3" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: exponent: -27 x-optimade-definition: label: "ronto_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "ronto" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/deci.yaml0000644000200400020040000000150515112031047031661 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/deci" title: "deci" symbol: "d" display-symbol: "d" description: "The deci SI prefix defined as a dimensionless multiple of 10⁻¹, adopted into SI at its creation at the 11th CGPM Meeting in 1960, resolution 12." resources: - relation: "Definition in the 11th CGPM Meeting in 1960, resolution 12" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the prefix" resource-id: "https://en.wikipedia.org/wiki/Deci-" defining-relation: base-units: [] base-units-expression: "" scale: exponent: -1 x-optimade-definition: label: "deci_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "deci" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/quetta.yaml0000644000200400020040000000145415112031047032263 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/quetta" title: "quetta" symbol: "Q" display-symbol: "Q" description: "The quetta SI prefix defined as a dimensionless multiple of 10³⁰, defined at the 27th CGPM Meeting in 2022, resolution 3." resources: - relation: "Definition in the 27th CGPM Meeting in 2022, resolution 3" resource-id: "https://www.bipm.org/en/cgpm-2022/resolution-3" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: exponent: 30 x-optimade-definition: label: "quetta_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "quetta" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/mebi.yaml0000644000200400020040000000156215112031047031674 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/mebi" title: "mebi" symbol: "Mi" display-symbol: "Mi" description: "The mebi prefix as a dimensionless multiple of 2²⁰ is one of a set of recommended prefixes in the International System of Units (SI), 9th Edition for referring to powers of 2." resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: base: 2 exponent: 20 x-optimade-definition: label: "mebi_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "mebi" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/quecto.yaml0000644000200400020040000000146015112031047032255 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/quecto" title: "quecto" symbol: "q" display-symbol: "q" description: "The quecto SI prefix defined as a dimensionless multiple of 10⁻³⁰, defined at the 27th CGPM Meeting in 2022, resolution 3." resources: - relation: "Definition in the 27th CGPM Meeting in 2022, resolution 3" resource-id: "https://www.bipm.org/en/cgpm-2022/resolution-3" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: exponent: -30 x-optimade-definition: label: "quecto_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "quecto" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/exa.yaml0000644000200400020040000000146115112031047031533 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/exa" title: "exa" symbol: "E" display-symbol: "E" description: "The exa SI prefix defined as a dimensionless multiple of 10¹⁸, defined at the 15th CGPM Meeting in 1975, resolution 10." resources: - relation: "Definition in the 15th CGPM Meeting in 1975, resolution 10" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/15-1975/resolution-10" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: exponent: 18 x-optimade-definition: label: "exa_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "exa" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/zepto.yaml0000644000200400020040000000147315112031047032122 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/zepto" title: "zepto" symbol: "z" display-symbol: "z" description: "The zepto SI prefix defined as a dimensionless multiple of 10⁻²¹, defined at the 19th CGPM Meeting in 1991, resolution 4." resources: - relation: "Definition in the 19th CGPM Meeting in 1991, resolution 4" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/19-1991/resolution-4" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: exponent: -21 x-optimade-definition: label: "zepto_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "zepto" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/kilo.yaml0000644000200400020040000000150215112031047031710 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/kilo" title: "kilo" symbol: "k" display-symbol: "k" description: "The kilo SI prefix defined as a dimensionless multiple of 10³, adopted into SI at its creation at the 11th CGPM Meeting in 1960, resolution 12." resources: - relation: "Definition in the 11th CGPM Meeting in 1960, resolution 12" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the prefix" resource-id: "https://en.wikipedia.org/wiki/Kilo-" defining-relation: base-units: [] base-units-expression: "" scale: exponent: 3 x-optimade-definition: label: "kilo_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "kilo" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/giga.yaml0000644000200400020040000000150215112031047031661 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/giga" title: "giga" symbol: "G" display-symbol: "G" description: "The giga SI prefix defined as a dimensionless multiple of 10⁹, adopted into SI at its creation at the 11th CGPM Meeting in 1960, resolution 12." resources: - relation: "Definition in the 11th CGPM Meeting in 1960, resolution 12" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the prefix" resource-id: "https://en.wikipedia.org/wiki/Giga-" defining-relation: base-units: [] base-units-expression: "" scale: exponent: 9 x-optimade-definition: label: "giga_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "giga" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/gibi.yaml0000644000200400020040000000156215112031047031672 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/gibi" title: "gibi" symbol: "Gi" display-symbol: "Gi" description: "The gibi prefix as a dimensionless multiple of 2³⁰ is one of a set of recommended prefixes in the International System of Units (SI), 9th Edition for referring to powers of 2." resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: base: 2 exponent: 30 x-optimade-definition: label: "gibi_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "gibi" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/mega.yaml0000644000200400020040000000150315112031047031664 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/mega" title: "mega" symbol: "M" display-symbol: "M" description: "The mega SI prefix defined as a dimensionless multiple of 10⁶, adopted into SI at its creation at the 11th CGPM Meeting in 1960, resolution 12." resources: - relation: "Definition in the 11th CGPM Meeting in 1960, resolution 12" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the prefix" resource-id: "https://en.wikipedia.org/wiki/Mega-" defining-relation: base-units: [] base-units-expression: "" scale: exponent: 6 x-optimade-definition: label: "mega_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "mega" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/peta.yaml0000644000200400020040000000146615112031047031714 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/peta" title: "peta" symbol: "P" display-symbol: "P" description: "The peta SI prefix defined as a dimensionless multiple of 10¹⁵, defined at the 15th CGPM Meeting in 1975, resolution 10." resources: - relation: "Definition in the 15th CGPM Meeting in 1975, resolution 10" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/15-1975/resolution-10" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: exponent: 15 x-optimade-definition: label: "peta_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "peta" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/hecto.yaml0000644000200400020040000000150715112031047032061 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/hecto" title: "hecto" symbol: "h" display-symbol: "h" description: "The hecto SI prefix defined as a dimensionless multiple of 10², adopted into SI at its creation at the 11th CGPM Meeting in 1960, resolution 12." resources: - relation: "Definition in the 11th CGPM Meeting in 1960, resolution 12" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the prefix" resource-id: "https://en.wikipedia.org/wiki/Hecto-" defining-relation: base-units: [] base-units-expression: "" scale: exponent: 2 x-optimade-definition: label: "hecto_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "hecto" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/zetta.yaml0000644000200400020040000000146715112031047032113 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/zetta" title: "zetta" symbol: "Z" display-symbol: "Z" description: "The zetta SI prefix defined as a dimensionless multiple of 10²¹, defined at the 19th CGPM Meeting in 1991, resolution 4." resources: - relation: "Definition in the 19th CGPM Meeting in 1991, resolution 4" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/19-1991/resolution-4" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: exponent: 21 x-optimade-definition: label: "zetta_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "zetta" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/yocto.yaml0000644000200400020040000000147415112031047032117 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/yocto" title: "yocto" symbol: "y" display-symbol: "y" description: "The yocto SI prefix defined as a dimensionless multiple of 10⁻²⁴, defined at the 19th CGPM Meeting in 1991, resolution 4." resources: - relation: "Definition in the 19th CGPM Meeting in 1991, resolution 4" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/19-1991/resolution-4" - relation: "Wikipedia article describing SI prefixes" resource-id: "https://en.wikipedia.org/wiki/Metric_prefix" defining-relation: base-units: [] base-units-expression: "" scale: exponent: -24 x-optimade-definition: label: "yocto_prefix_si" kind: "prefix" format: "1.2" version: "1.2.0" name: "yocto" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/prefixes/si/micro.yaml0000644000200400020040000000245715112031047032075 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" $id: "https://schemas.optimade.org/defs/v1.2/prefixes/si/micro" title: "micro" symbol: "mc" display-symbol: "μ" description: |- The micro SI prefix defined as a dimensionless multiple of 10⁻⁶, adopted into SI at its creation at the 11th CGPM Meeting in 1960, resolution 12. The micro SI prefix is the only one not using a Latin symbol. 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rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/iso-iec-80000/2008/information_science_and_technology/byte.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/iso-iec-80000/20080000644000200400020040000000227015112031047031304 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/iso-iec-80000/2008/information_science_and_technology/byte" title: "byte" symbol: "B" display-symbol: "B" description: |- A unit of digital information representing eight bits, defined in the International System of Quantities in ISO/IEC 80000-13 (2008). "In English, the name byte, symbol B, is used as a synonym for octet. Here byte means an eight-bit byte." [ISO/IEC 80000-13 (2008)] resources: - relation: "Defining standard" resource-id: "https://www.iso.org/standard/31898.html" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Byte" defining-relation: base-units: - symbol: "bit" id: "https://schemas.optimade.org/defs/v1.2/units/independent/1948/information/bit" base-units-expression: "bit" scale: numerator: 8 standard: name: "iso-iec-80000" year: 2008 category: "information_science_and_technology" symbol: "B" x-optimade-definition: label: "byte_iso_iec_80000_2008_information_science_and_technology" kind: "unit" format: "1.2" version: "1.2.0" name: "byte" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/codata/0000775000200400020040000000000015112031047030227 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/codata/1969/0000775000200400020040000000000015112031047030637 5ustar andriusandrius././@LongLink0000644000000000000000000000015700000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/codata/1969/electromagnetic/OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/codata/1969/electr0000775000200400020040000000000015112031047032036 5ustar andriusandrius././@LongLink0000644000000000000000000000020000000000000011573 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/codata/1969/electromagnetic/bohrmagneton.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/codata/1969/electr0000644000200400020040000000251315112031047032037 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/codata/1969/electromagnetic/bohrmagneton" title: "Bohr magneton" symbol: "bohrmagneton" display-symbol: '\(\mu_B\)' description: |- A unit expressing the magnetic moment of an electron caused by its orbital or spin angular momentum defined as part of CODATA 1969. "The magneton moment of the free electron in units of the Bohr magneton \(\mu_B=e\hbar/2m_e\)" [B. N. Taylor, W. H. Parker, and D. N. Langenberg, Rev. Mod. Phys. 41(3), 375-496 (1969)] resources: - relation: 'Defining paper: B. N. Taylor, W. H. Parker, and D. N. Langenberg, Rev. Mod. Phys. 41(3), 375-496 (1969)' resource-id: "https://doi.org/10.1103/RevModPhys.41.375" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Bohr_magneton" approximate-relations: - base-units: - symbol: "bohrmagneton" id: "https://schemas.optimade.org/defs/v1.2/constants/codata/2018/electromagnetic/bohrmagneton" base-units-expression: "bohrmagneton" standard: name: "codata" year: 1969 category: "electromagnetic" symbol: '\(\mu_B\)' x-optimade-definition: label: "bohrmagneton_codata_1969_electromagnetic" kind: "unit" format: "1.2" version: "1.2.0" name: "bohrmagneton" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/0000775000200400020040000000000015112031047027407 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1998/0000775000200400020040000000000015112031047030021 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1998/accepted/0000775000200400020040000000000015112031047031571 5ustar andriusandrius././@LongLink0000644000000000000000000000015700000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1998/accepted/dalton.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1998/accepted/d0000644000200400020040000000556215112031047031745 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1998/accepted/dalton" title: "dalton" symbol: "Da" display-symbol: "Da" alternate-symbols: - "u" description: |- A unit of mass defined as 1/12 of the mass of a free carbon 12 atom, at rest and in its ground state. The name dalton as an alternative name to *atomic mass unit* is defined in the International System of Units (SI), 7th ed. (1998) in a footnote to a table labeled "Non-SI units accepted for use with the International System, whose values in SI units are obtained experimentally" in the section "Units outside the international system". The definition given is: "The unified atomic mass unit is equal to 1/12 of the mass of an unbound atom of the nuclide ¹²C, at rest, and in its ground state. In the field of biochemistry, the unified atomic mass unit is also called the dalton, symbol Da." This definition makes the dalton equivalent to the atomic mass unit defined in the International System of Units (SI), 1st ed. (1970) (https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/atomicmassunit) In the International System of Units (SI) 8th ed. (2006) the definition is slightly adjusted, replacing "unbound" with "free": "The dalton (Da) and the unified atomic mass unit (u) are alternative names (and symbols) for the same unit, equal to 1/12 times the mass of a free carbon 12 atom, at rest and in its ground state." All editions of the International System of Units (SI) note approximate relationships to the kilogram. The 9th ed. states "1 Da = 1.660 539 066 60(50)×10⁻²⁷ kg", where the 2018 CODATA value has been used and the 2019 SI kilogram is referenced (https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram). Note: in the 2019 redefinition of the SI units, the dalton is the only unit listed as accepted for use with SI that does not have an exact relation to the base SI units. resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Dalton_(unit)" - relation: "CODATA unified atomic mass unit fundamental physical constant: source for relationship to kg" resource-id: "https://physics.nist.gov/cgi-bin/cuu/Value?ukg" compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/atomicmassunit" approximate-relations: - base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" base-units-expression: "kg" scale: value: 1.66053906660E-27 standard_uncertainty: 0.00000000050E-27 x-optimade-definition: label: "dalton_si_1998_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "dalton" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1981/0000775000200400020040000000000015112031047030011 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1981/temporary/0000775000200400020040000000000015112031047032033 5ustar andriusandrius././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1981/temporary/rem.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1981/temporary/0000644000200400020040000000274515112031047032043 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1981/temporary/rem" title: "roentgen equivalent man" symbol: "rem" display-symbol: "rem" description: |- The "roentgen equivalent man" (rem) is a unit used in radioprotection meant to represent a dose of any ionizing radiation comparable in effect to one roentgen of high-voltage x-radiation, taken to be equal to 10⁻² Sv using the 1967 SI units. The rem unit appears in the International System of Units (SI), 4th ed. (1981) defined as "1 rem = 1 cSv = 10⁻² Sv" with the footnote: "The rem is a special unit used in radioprotection to express the equivalent dose." resources: - relation: "Definition in the International System of Units (SI), 4th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Roentgen_equivalent_man" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m^2*s^-2" scale: exponent: -2 x-optimade-definition: label: "rem_si_1981_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "rem" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/0000775000200400020040000000000015112031047030015 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/base/0000775000200400020040000000000015112031047030727 5ustar andriusandrius././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/base/kelvin.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/base/kelvi0000644000200400020040000000424615112031047031770 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/kelvin" title: "kelvin" symbol: "K" display-symbol: "K" description: |- The kelvin is the SI base unit of thermodynamic temperature defined from the triple point of water at the 13th CGPM Meeting in 1967, resolution 3 and 4 and clarified at the 23rd CGPM Meeting in 2007, resolution 10. The definition is functionally the same as the prior definition of degree Kelvin from the 10th CGPM meeting in 1954. However, at the 13th CGPM Meeting in 1967, resolution 4, the definition was rephrased as: "The kelvin, unit of thermodynamic temperature, is the fraction 1/273.16 of the thermodynamic temperature of the triple point of water." In this defining text, and as decided in resolution 3, the unit is named kelvin with the symbol K, replacing the prior use of degree Kelvin and variations. The 23rd CGPM meeting in 2007, resolution 10, approved to append a clarification to the above definition: "This definition refers to water having the isotopic composition defined by the following amount-of-substance ratios: 0.00015576 mole of ²H per mole of ¹H, 0.0003799 mole of ¹⁷O per mole of ¹⁶O and 0.0020052 mole of ¹⁸O per mole of ¹⁶O." compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/degreekelvin" resources: - relation: "Definition at the 13th CGPM meeting (1967), resolution 4" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-4" - relation: "Definition of the name kelvin and symbol K at the 13th CGPM meeting (1967), resolution 3" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-3" - relation: "Clarification at the 23rd CGPM meeting (2007), resolution 10" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/23-2007/resolution-10" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Kelvin" standard: name: "si" year: 1967 category: "base" symbol: "K" x-optimade-definition: label: "kelvin_si_1967_base" kind: "unit" format: "1.2" version: "1.2.0" name: "kelvin" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/base/second.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/base/secon0000644000200400020040000000313615112031047031762 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" title: "second" symbol: "s" display-symbol: "s" description: |- The SI base unit of time defined via the periods of transitions between levels in the caesium 133 atom after the redefinition at the 13th CGPM Meeting in 1967. "The second is the duration of 9192631770 periods of the radiation corresponding to the transition between the two hyperfine levels of the ground state of the caesium 133 atom" [13th CGPM Meeting (1967), resolution 1] At the 26th CGPM Meeting (2018), resolution 1 the definition was rephrased to: "The second, symbol s, is the SI unit of time. It is defined by taking the fixed numerical value of the caesium frequency, \(\Delta \nu_\textrm{Cs}\), the unperturbed ground-state hyperfine transition frequency of the caesium 133 atom, to be 9192631770 when expressed in the unit Hz, which is equal to s⁻¹." resources: - relation: "Definition in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Rephrased definition in the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Second" standard: name: "si" year: 1967 category: "base" symbol: "s" x-optimade-definition: label: "second_si_1967_base" kind: "unit" format: "1.2" version: "1.2.0" name: "second" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/base/candela.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/base/cande0000644000200400020040000000406315112031047031725 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/candela" title: "candela" symbol: "cd" display-symbol: "cd" description: |- The candela is the SI base unit of luminous intensity in a given direction defined in from the radiation of a black body at the temperature of freezing platinum as defined at the 9th CGPM meeting in 1948, clarified at the 13th CGPM Meeting in 1967, resolution 5; and implicitly redefined due to the 1967 SI redefinition of the second. At the 13th CGPM Meeting in 1967, resolution 5 the previous definition from the 9th CGPM meeting in 1948 was rephrased to be more clear: "The candela is the luminous intensity, in the perpendicular direction, of a surface of 1/600000 square metre of a black body at the temperature of freezing platinum under a pressure of 101325 newtons per square metre." Furthermore, the SI 1967 definition of the candela references: - the SI 1960 metre (https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre). - the SI 1967 derived newton unit (https://schemas.optimade.org/defs/v1.2/units/si/1967/named/newton) equal to kilogram·metre·second⁻², referencing the SI 1960 kilogram (https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram) and metre (https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre); and the 1967 definition of the second (https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second). resources: - relation: "Definition at the 13th CGPM meeting (1967)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-5" - relation: "Previous definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Candela" standard: name: "si" year: 1967 category: "base" symbol: "cd" x-optimade-definition: label: "candela_si_1967_base" kind: "unit" format: "1.2" version: "1.2.0" name: "candela" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/base/ampere.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/base/amper0000644000200400020040000000424515112031047031761 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/ampere" title: "ampere" symbol: "A" display-symbol: "A" description: |- The SI base unit of electric current defined from the force between parallel wires carrying an electric current at the 41st CIPM meeting (1946), resolution 2 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. "The ampere is that constant current which, if maintained in two straight parallel conductors of infinite length, of negligible circular cross-section, and placed 1 metre apart in vacuum, would produce between these conductors a force equal to 2×10⁻⁷ MKS unit of force per metre of length." [41st CIPM meeting (1946), Resolution 2]. Furthermore, following the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1, the implicitly redefined ampere references: - the metre in the definition references the SI 1960 metre (https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre) - the MKS unit of force references the derived newton unit (https://schemas.optimade.org/defs/v1.2/units/si/1960/derived/newton) equal to kilogram·metre·second⁻², referencing the SI 1960 kilogram (https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram) and metre (https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre); and the 1967 definition of the second (https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second). resources: - relation: "Definition at the 41st CIPM meeting (1946), resolution 2" resource-id: "https://www.bipm.org/en/committees/ci/cipm/41-1946/resolution-2" - relation: "Establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Ampere" standard: name: "si" year: 1967 category: "base" symbol: "A" x-optimade-definition: label: "ampere_si_1967_base" kind: "unit" format: "1.2" version: "1.2.0" name: "ampere" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/temporary/0000775000200400020040000000000015112031047032037 5ustar andriusandrius././@LongLink0000644000000000000000000000015700000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/temporary/curie.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/temporary/0000644000200400020040000000333215112031047032040 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/temporary/curie" title: "curie" symbol: "Ci" display-symbol: "Ci" description: |- A non-SI unit of activity with the value 3.7·10⁻¹⁰ s⁻¹ in the 1967 SI units. Defined as outside the SI at the 12th CGPM meeting in 1964, resolution 7. Implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units". - The curie is omitted in the International System of Units (SI), 8th Edition (2006). resources: - relation: "Definition at the 12th CGPM meeting (1964), resolution 3" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/12-1964/resolution-3" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Le Système International d'Unités (SI) (1970)" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Curie_(unit)" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "s^-1" scale: numerator: 37 exponent: -11 x-optimade-definition: label: "curie_si_1967_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "curie" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/0000775000200400020040000000000015112031047031101 5ustar andriusandrius././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/weber.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/webe0000644000200400020040000000377315112031047031756 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/weber" title: "weber" symbol: "Wb" display-symbol: "Wb" description: |- A derived SI unit for magnetic flux equal to kg·m²·s⁻³·A⁻¹ in the 1967 SI base units. "The weber is the magnetic induction flux that, passing through a single-turn circuit, produces an electromotive force of one volt if it is reduced to zero in one second by uniform decay." [9th CGPM meeting in 1946] The weber was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Weber_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^-1*kg*m^2*s^-3" standard: name: "si" year: 1967 category: "named" symbol: "Wb" x-optimade-definition: label: "weber_si_1967_named" kind: "unit" format: "1.2" version: "1.2.0" name: "weber" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/lumen.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/lume0000644000200400020040000000315115112031047031764 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/lumen" title: "lumen" symbol: "lm" display-symbol: "lm" description: |- A derived SI unit for luminous flux equal to cd·sr in the 1967 SI units. "The lumen is the luminous flux emitted in a steradian by a uniform point source with a luminous intensity of one candela." [9th CGPM meeting in 1946] The lumen was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Lumen_(unit)" defining-relation: base-units: - symbol: "cd" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/candela" - symbol: "sr" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/steradian" base-units-expression: "cd*sr" standard: name: "si" year: 1967 category: "named" symbol: "lm" x-optimade-definition: label: "lumen_si_1967_named" kind: "unit" format: "1.2" version: "1.2.0" name: "lumen" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/tesla.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/tesl0000644000200400020040000000261715112031047031777 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/tesla" title: "tesla" symbol: "T" display-symbol: "T" description: |- A derived SI unit for magnetic flux density equal to kg·s⁻²·A⁻¹ in the 1967 SI units. The tesla was defined as 1 Wb/m in the introduction of the SI unit system the 11th CGPM Meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Tesla_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^-1*kg*s^-2" standard: name: "si" year: 1967 category: "named" symbol: "T" x-optimade-definition: label: "tesla_si_1967_named" kind: "unit" format: "1.2" version: "1.2.0" name: "tesla" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/watt.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/watt0000644000200400020040000000340215112031047032000 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/watt" title: "watt" symbol: "W" display-symbol: "W" description: |- A derived SI unit for power and radiant flux equal to kg·m²·s⁻³ in the 1967 SI units. "The watt is the power that produces one joule per second." [9th CGPM meeting in 1946] The watt was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Watt" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m^2*s^-3" standard: name: "si" year: 1967 category: "named" symbol: "W" x-optimade-definition: label: "watt_si_1967_named" kind: "unit" format: "1.2" version: "1.2.0" name: "watt" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/coulomb.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/coul0000644000200400020040000000330315112031047031763 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/coulomb" title: "coulomb" symbol: "C" display-symbol: "C" description: |- A derived SI unit for electric charge equal to s·A in the 1967 SI base units. "The coulomb is the amount of electricity transported in one second by a current of one ampere." [9th CGPM meeting in 1946] The coulomb was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Coulomb" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/ampere" base-units-expression: "A*s" standard: name: "si" year: 1967 category: "named" symbol: "C" x-optimade-definition: label: "coulomb_si_1967_named" kind: "unit" format: "1.2" version: "1.2.0" name: "coulomb" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/farad.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/fara0000644000200400020040000000360715112031047031741 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/farad" title: "farad" symbol: "F" display-symbol: "F" description: |- A derived SI unit for electrical capacitance equal to kg⁻¹·m⁻²·s⁴·A² in the 1967 SI units. "The farad is the capacitance of an electric capacitor between whose plates an electric potential difference of one volt appears when it is charged with an amount of electricity equal to one coulomb." [9th CGPM meeting in 1946] The farad was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Farad" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^2*kg^-1*m^-2*s^4" standard: name: "si" year: 1967 category: "named" symbol: "F" x-optimade-definition: label: "farad_si_1967_named" kind: "unit" format: "1.2" version: "1.2.0" name: "farad" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/volt.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/volt0000644000200400020040000000404315112031047032007 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/volt" title: "volt" symbol: "V" display-symbol: "V" description: |- A derived SI unit for electric potential, voltage, and electromotive force equal to kg·m²·s⁻³·A⁻¹ in the 1967 SI units. "The volt is the electric potential difference that exists between two points of a conducting wire carrying a constant current of one ampere when the power dissipated between these points is equal to one watt." [9th CGPM meeting in 1946] The volt was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Volt" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/ampere" base-units-expression: "A^-1*kg*m^2*s^-3" standard: name: "si" year: 1967 category: "named" symbol: "V" x-optimade-definition: label: "volt_si_1967_named" kind: "unit" format: "1.2" version: "1.2.0" name: "volt" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/joule.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/joul0000644000200400020040000000350315112031047031774 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/joule" title: "joule" symbol: "J" display-symbol: "J" description: |- A derived SI unit for energy, work, and heat equal to kg·m²·s⁻² in the 1967 SI units. "The joule is the work produced by a newton whose point of application moves one meter in the direction of the force." [9th CGPM meeting in 1946] The joule was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Joule" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m^2*s^-2" standard: name: "si" year: 1967 category: "named" symbol: "J" x-optimade-definition: label: "joule_si_1967_named" kind: "unit" format: "1.2" version: "1.2.0" name: "joule" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/ohm.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/ohm.0000644000200400020040000000412415112031047031664 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/ohm" title: "ohm" symbol: "ohm" display-symbol: "Ω" description: |- A derived SI unit for electrical resistance equal to kg·m²·s⁻³·A⁻² in the 1967 SI units. "The ohm is the electrical resistance that exists between two points of a conductor when a constant potential difference of one volt, applied between these two points, produces a current of one ampere in the conductor, provided that the conductor is not the seat of any electromotive force." [9th CGPM meeting in 1946] The ohm was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Ohm" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^-2*kg*m^2*s^-3" standard: name: "si" year: 1967 category: "named" symbol: "ohm" x-optimade-definition: label: "ohm_si_1967_named" kind: "unit" format: "1.2" version: "1.2.0" name: "ohm" ././@LongLink0000644000000000000000000000016000000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/degcelsius.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/degc0000644000200400020040000000330115112031047031721 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/degcelsius" title: "degree Celsius" symbol: "degC" display-symbol: "°C" alternate-symbols: - "degcelsius" description: |- A derived SI unit of temperature, defined as degree kelvin offset with +273.15 in 1967 SI units. "If we add to the practical international Celsius temperatures defined above T₀ = 273.15 degrees, we obtain the practical international Kelvin temperatures. By subtracting T₀ from the thermodynamic temperatures, we obtain the thermodynamic Celsius temperatures." [11th CGPM meeting (1960)] The degree Celsius was defined and included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the kelvin at the 13th CGPM Meeting in 1967, resolution 4. resources: - relation: "Redefinition of the kelvin at the 13th CGPM meeting (1967), resolution 4" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-4" - relation: "Definition of the kelvin at the 11th CGPM meeting (1960)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Celsius" defining-relation: base-units: - symbol: "K" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/kelvin" base-units-expression: "K" offset: numerator: 27315 denominator: 100 standard: name: "si" year: 1967 category: "named" symbol: "degC" x-optimade-definition: label: "degcelsius_si_1967_named" kind: "unit" format: "1.2" version: "1.2.0" name: "degcelsius" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/newton.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/newt0000644000200400020040000000333715112031047032005 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/newton" title: "newton" symbol: "N" display-symbol: "N" description: |- The newton is a derived SI unit for force and weight equal to kg·m·s⁻² in 1967 SI units. "The newton is the force that, in one second, imparts to a mass equal to one kilogram an increase in speed of one meter per second." [9th CGPM meeting in 1946] The newton was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Newton_(unit)" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m*s^-2" standard: name: "si" year: 1967 category: "named" symbol: "N" x-optimade-definition: label: "newton_si_1967_named" kind: "unit" format: "1.2" version: "1.2.0" name: "newton" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/hertz.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/hert0000644000200400020040000000314515112031047031767 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/hertz" title: "hertz" symbol: "Hz" display-symbol: "Hz" description: |- A derived SI unit for frequency equal to s⁻¹ in the 1967 SI units. "The frequency of a periodic phenomenon is expressed in hertz, as the inverse of its period expressed in seconds." [9th CGPM meeting in 1946] The hertz was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Hertz" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "s^-1" standard: name: "si" year: 1967 category: "named" symbol: "Hz" x-optimade-definition: label: "hertz_si_1967_named" kind: "unit" format: "1.2" version: "1.2.0" name: "hertz" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/lux.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/lux.0000644000200400020040000000347515112031047031721 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/lux" title: "lux" symbol: "lx" display-symbol: "lx" description: |- A derived SI unit for illuminance equal to cd⋅sr⋅m⁻² in 1967 SI units. "The lux is the illuminance of a surface that receives a uniformly distributed luminous flux of one lumen per square meter." [9th CGPM meeting in 1946] The lux was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Lux" defining-relation: base-units: - symbol: "cd" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/candela" - symbol: "sr" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/steradian" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" base-units-expression: "cd*m^-2*sr" standard: name: "si" year: 1967 category: "named" symbol: "lx" x-optimade-definition: label: "lux_si_1967_named" kind: "unit" format: "1.2" version: "1.2.0" name: "lux" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/henry.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1967/named/henr0000644000200400020040000000401015112031047031751 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/henry" title: "henry" symbol: "H" display-symbol: "H" description: |- A derived SI unit for inductance equal to kg·m²·s⁻²·A⁻² in the 1967 SI units. "The henry is the inductance of a closed circuit in which an electromotive force of one volt is produced when the electric current passing through the circuit varies uniformly at a rate of one ampere per second." [9th CGPM meeting in 1946] The henry was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Henry_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^-2*kg*m^2*s^-2" standard: name: "si" year: 1967 category: "named" symbol: "H" x-optimade-definition: label: "henry_si_1967_named" kind: "unit" format: "1.2" version: "1.2.0" name: "henry" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/0000775000200400020040000000000015112031047030007 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/0000775000200400020040000000000015112031047032031 5ustar andriusandrius././@LongLink0000644000000000000000000000016700000000000011607 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/radiationunit.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/0000644000200400020040000000423115112031047032031 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/radiationunit" title: "radiation unit" symbol: "radiationunit" display-symbol: "rad" description: |- A unit used to express the absorbed dose of ionizing radiation defined as 10⁻² J/kg using the 1967 SI units. This unit definition uses "radiationunit" as the symbol for this unit despite "rad" being in common use to distinguish it from the radian, which is an SI unit with rad as its symbol. The radiation unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 rad = 10⁻² J/kg" with the footnote: "The rad is a special unit employed to express absorbed dose of ionizing radiation. When there is risk of confusion with the symbol for radian, rd may be used as the symbol for rad." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 3rd ed. (1977) changes the definition to use the unit gray: "1 rad = cGy = 10⁻² Gy." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Examples of other non-SI units" and adds the additional footnote: "Note that this non-SI unit is exactly equivalent to an SI unit with an appropriate submultiple prefix." - The International System of Units (SI), 8th ed. (2006) omits the unit. resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Rad_(radiation_unit)" defining-relation: base-units: - symbol: "J" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/joule" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" base-units-expression: "J*kg^-1" scale: exponent: -2 x-optimade-definition: label: "radiationunit_si_1970_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "radiationunit" ././@LongLink0000644000000000000000000000016200000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/roentgen.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/0000644000200400020040000000343415112031047032035 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/roentgen" title: "roentgen" symbol: "R" display-symbol: "R" description: |- A unit used to express the exposure of ionizing radiation defined as 2.58 x 10⁻⁴ C/kg using the 1967 SI units. The roentgen unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 R = 2.58 x 10⁻⁴ C/kg" with the footnote: "The roentgen is a special unit used to express the ionization exposure of ionizing radiation." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 2nd ed. (1973) rephrases the footnote to: "The roentgen is a special unit used to express the exposure of X or gamma radiation." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Examples of other non-SI units". - The International System of Units (SI), 8th ed. (2006) omits the unit. resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Roentgen_(unit)" defining-relation: base-units: - symbol: "C" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/coulomb" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" base-units-expression: "C*kg^-1" scale: numerator: 258 exponent: -6 x-optimade-definition: label: "roentgen_si_1970_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "roentgen" ././@LongLink0000644000000000000000000000015600000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/knot.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/0000644000200400020040000000327215112031047032035 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/knot" title: "knot" symbol: "knot" display-symbol: "knot" description: |- A unit of speed primarily used in navigation defined as 1 nautical mile per hour which is equal to (1852/3600) m/s using the 1967 SI units. The knot unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 nautical mile per hour = (1852/3600) m/s." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System." - The International System of Units (SI), 8th ed. (2006) changes the categorization to "Other non-SI units." - The knot is omitted in the International System of Units (SI), 9th Edition (2019). resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Knot_(unit)" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "ms^-1" scale: numerator: 1852 denominator: 3600 x-optimade-definition: label: "knot_si_1970_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "knot" ././@LongLink0000644000000000000000000000016600000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/nauticalmile.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/0000644000200400020040000000522115112031047032031 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/nauticalmile" title: "nautical mile" symbol: "M" display-symbol: "M" alternate-symbols: - "NM" - "Nm" - "nmi" description: |- A unit of length primarily used in navigation defined as 1852 m using the 1960 SI meter. The nautical mile unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 nautical mile = 1852 m" with the footnote "The nautical mile is a special unit employed for marine and aerial navigation to express distance. The conventional value given above was adopted by the First International Extraordinary Hydrographic Conference, Monaco, 1929, under the name 'International nautical mile'." Historically, the nautical mile was defined as the meridian arc length corresponding to one arcminute of latitude. - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System" and adds to the footnote that: "As yet there is no internationally agreed symbol. This unit was originally chosen because one nautical mile on the surface of the Earth subtends approximately one minute of angle at the centre." - The International System of Units (SI), 8th ed. (2006) changes the categorization to "Other non-SI units" and adjusts the footnote to say: "As yet there is no internationally agreed symbol, but the symbols M, NM, Nm, and nmi are all used; in the table the symbol M is used. The unit was originally chosen, and continues to be used, because one nautical mile on the surface of the Earth subtends approximately one minute of angle at the centre of the Earth, which is convenient when latitude and longitude are measured in degrees and minutes of angle." - The nautical mile is omitted in the International System of Units (SI), 9th Edition (2019). resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Nautical_mile" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" base-units-expression: "m" scale: numerator: 1852 x-optimade-definition: label: "nauticalmile_si_1970_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "nauticalmile" ././@LongLink0000644000000000000000000000015600000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/barn.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/0000644000200400020040000000304415112031047032032 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/barn" title: "barn" symbol: "b" display-symbol: "b" description: |- A unit of area used in nuclear physics to express cross sections equal to 100 fm², with meter defined according to the 1960 SI units. The International System of Units (SI), 1st ed. (1970) states: "1 b = 100 fm² = 10⁻²⁸ m" with a footnote "The barn is a special unit used in nuclear physics to express cross sections." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 8th ed. (2006) categorizes the unit as "Other non-SI units currently accepted for use with the International System." - The International System of Units (SI), 9th ed. (2019) categorizes the unit as "Other non-SI units." resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Barn_(unit)" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" scale: - exponent: -28 base-units-expression: "m^2" scale: exponent: 4 x-optimade-definition: label: "barn_si_1970_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "barn" ././@LongLink0000644000000000000000000000016100000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/hectare.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/0000644000200400020040000000307515112031047032036 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/hectare" title: "hectare" symbol: "ha" display-symbol: "ha" description: |- A unit of area equal to 1000 square meters (1 hm²), with meter defined according to the 1960 SI base unit. The hectare unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 ha = 1 hm² = 10⁴ m²" with the footnote "This unit and its symbol were adopted by the International Committee in 1879 (Proces-Verbaux C.I.P.M., 1879, p. 41)." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "units in use temporarily". - The International System of Units (SI), 5th ed. (1985) add the clarification that the unit is "used to express agrarian areas." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System." resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Hectare" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" base-units-expression: "m^2" scale: exponent: 4 x-optimade-definition: label: "hectare_si_1970_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "hectare" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/are.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/0000644000200400020040000000324515112031047032035 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/are" title: "are" symbol: "a" display-symbol: "a" description: |- A unit of area equal to 100 square meters (10² m²), with meter defined according to the 1960 SI base units. The are unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 a = 1 dam² = 10² m²" with the footnote "This unit and its symbol were adopted by the International Committee in 1879 (Proces-Verbaux C.I.P.M., 1879, p. 41)." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "units in use temporarily". - The International System of Units (SI), 5th ed. (1985) adds the clarification that the unit is "used to express agrarian areas." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System." - The International System of Units (SI), 8th ed. (2006) completely removes the unit (but still defines the hectare). resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Hectare#Are" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" base-units-expression: "m^2" scale: exponent: 4 x-optimade-definition: label: "are_si_1970_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "are" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/bar.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/0000644000200400020040000000443215112031047032034 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/bar" title: "bar" symbol: "bar" display-symbol: "bar" description: |- A unit of pressure equal to 10⁵ N/m using the 1967 base SI units. The bar unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 bar = 0,1 MPa = 10⁵ Pa" with the footnote "This unit and its symbol are included in Resolution 7 of the 9th C.G.P.M. (1948)." (While the pascal unit appears in the 1st ed. as a symbol for N·s/m², it was adopted into SI at the 14th CGPM meeting in 1971.) - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System." - The International System of Units (SI), 8th ed. (2006) changes the categorization to "Other non-SI units" and updates the footnote to: "The bar and its symbol are included in Resolution 7 of the 9th CGPM (1948; CR, 70). Since 1982 one bar has been used as the standard pressure for tabulating all thermodynamic data. Prior to 1982 the standard pressure used to be the standard atmosphere, equal to 1.013 25 bar, or 101 325 Pa." - The bar is omitted in the International System of Units (SI), 9th Edition (2019) (except appearing as an example in the context of typesetting of units). resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Bar_(unit)" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m^-1*s^-2" scale: exponent: 5 x-optimade-definition: label: "bar_si_1970_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "bar" ././@LongLink0000644000000000000000000000016200000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/angstrom.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/0000644000200400020040000000341115112031047032030 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/angstrom" title: "ångström" symbol: "angstrom" display-symbol: "Å" description: |- A length equal to 10⁻¹⁰ meter, with meter defined according to the 1960 SI base units. The ångström unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 Å = 0.1 nm = 10⁻¹⁰ m". - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "temporarily admitted" for use with the SI units. - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System." - The International System of Units (SI), 8th ed. (2006) changes the categorization to "Other non-SI units" and adds as a clarifying footnote "The ångström is widely used by x-ray crystallographers and structural chemists because all chemical bonds lie in the range 1 to 3 ångströms. However it has no official sanction from the CIPM or the CGPM." - The ångström is omitted in the International System of Units (SI), 9th Edition (2019). resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Angstrom" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" base-units-expression: "m" scale: exponent: -10 x-optimade-definition: label: "angstrom_si_1970_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "angstrom" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/gal.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/temporary/0000644000200400020040000000337715112031047032043 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/gal" title: "gal" symbol: "Gal" display-symbol: "Gal" description: |- A unit of acceleration equal to 1 centimeter per second squared (1 cm/s²), defined according to the 1967 SI units. The gal unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 Gal = 1 cm/s² = 10⁻² m/s²" with the footnote "The gal is a special unit of acceleration employed in geodesy and geophysics to express acceleration due to gravity." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "units in use temporarily". - The International System of Units (SI), 7th ed. (1998) changes the categorization to "derived CGS units with special names". - The International System of Units (SI), 9th ed. (2019) moves the unit definition to the margin aside the table for Non-SI units accepted for use with the SI units. It is not clear how to interpret the categorization intended with this placement of the unit. resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Gal_(unit)" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "m*s^-2" scale: exponent: -2 x-optimade-definition: label: "gal_si_1970_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "gal" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/0000775000200400020040000000000015112031047031557 5ustar andriusandrius././@LongLink0000644000000000000000000000015700000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/degree.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/d0000644000200400020040000000455515112031047031734 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/degree" title: "degree" symbol: "degree" display-symbol: "°" description: |- A unit of plane and phase angle where a full circle is 360 degrees, which is equivalent to pi/180 rad, with rad defined according to the 1960 SI units. The degree unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1° = (pi/180) rad". - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use with the International System." - The International System of Units (SI), 7th ed. (1998) adds as a footnote: "ISO 31 recommends that the degree be subdivided decimally rather than using the minute and second." - The International System of Units (SI), 8th ed. (2006) further adds to that footnote: "For navigation and surveying, however, the minute has the advantage that one minute of latitude on the surface of the Earth corresponds (approximately) to one nautical mile." - The International System of Units (SI), 9th ed. (2019) replaces the footnote with: "For some applications such as in astronomy, small angles are measured in arcseconds (i.e. seconds of plane angle), denoted as or ′′, or milliarcseconds, microarcseconds and picoarcseconds, denoted mas, μas and pas, respectively, where arcsecond is an alternative name for second of plane angle." The formulation "denoted as or ″" is reproduced here faithfully from the source and suggests an alternate symbol may have been omitted due to a typographical error. It is not clear what alternate symbol was intended to be referenced. resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Degree_(angle)" defining-relation: base-units: - symbol: "pi" id: "https://schemas.optimade.org/defs/v1.2/constants/math/basic/pi" - symbol: "rad" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/radian" base-units-expression: "pi*rad" scale: denominator: 180 x-optimade-definition: label: "degree_si_1970_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "degree" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/day.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/d0000644000200400020040000000241715112031047031727 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/day" title: "day" symbol: "day" display-symbol: "day" alternate-symbols: - "d" description: |- A unit of time equal to 86 400 seconds, using the 1967 base SI units. The day unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 d = 24 h = 86400 s". - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Non-SI units accepted for use with the International System." resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Day" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" base-units-expression: "s" scale: numerator: 86400 x-optimade-definition: label: "day_si_1970_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "day" ././@LongLink0000644000000000000000000000016700000000000011607 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/atomicmassunit.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/a0000644000200400020040000000546215112031047031727 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/atomicmassunit" title: "atomic mass unit" symbol: "u" display-symbol: "u" alternate-symbols: - "dalton" - "Da" description: |- A unit of mass defined as 1/12 of the mass of a free carbon 12 atom, at rest and in its ground state. The International System of Units (SI), 1st ed. (1970) defines the atomic mass unit in the section "Units used with the International System" (known as "Non-SI units accepted for use with the SI units" in later editions). The unit is defined in a footnote as: "The atomic mass unit (unified) is equal to 1/12 of the mass of an atom of the nuclide ¹²C; 1 u = 1.66053 x 10⁻²⁷ kg approximately." The definition is retained in the International System of Units up to the 7th edition (1998), where the conditions are slightly clarified and dalton (Da) is introduced as an alternative name: "The unified atomic mass unit is equal to 1/12 of the mass of an unbound atom of the nuclide ¹²C, at rest, and in its ground state. In the field of biochemistry, the unified atomic mass unit is also called the dalton, symbol Da." In the 8th ed. (2006) the definition is slightly adjusted, replacing "unbound" with "free": "The dalton (Da) and the unified atomic mass unit (u) are alternative names (and symbols) for the same unit, equal to 1/12 times the mass of a free carbon 12 atom, at rest and in its ground state." All editions of the International System of Units note approximate relationships to the kilogram. The 9th ed. states "1 Da = 1.660 539 066 60(50)×10⁻²⁷ kg", where the 2018 CODATA value has been used and the 2019 SI kilogram is referenced (https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram). In the 2019 redefinition of the SI units, the atomic mass unit is the only unit listed as accepted for use with SI that has a value in SI units which is determined experimentally. resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Dalton_(unit)" - relation: "CODATA unified atomic mass unit fundamental physical constant: source for relationship to kg" resource-id: "https://physics.nist.gov/cgi-bin/cuu/Value?ukg" approximate-relations: - base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" base-units-expression: "kg" scale: value: 1.66053906660E-27 standard_uncertainty: 0.00000000050E-27 x-optimade-definition: label: "atomicmassunit_si_1970_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "atomicmassunit" ././@LongLink0000644000000000000000000000015600000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/tonne.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/t0000644000200400020040000000300615112031047031742 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/tonne" title: "tonne" symbol: "t" display-symbol: "t" alternate-symbols: - "t" description: |- A unit of mass defined as 1000 kg, with kilogram defined according to the 1960 SI units. The International System of Units (SI), 1st ed. (1970) defines the tonne as "1 t = 10³ kg" with the footnote "The symbol and the unit was defined in resolution 7 at the 9th meeting of the C.G.P.M. (1948)." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units used with the International System" - The International System of Units (SI), 3rd ed. (19) changes the reference of the definition to the 1879 meeting of the CIPM page 41. - The International System of Units (SI), 6th ed. (1991) further adds "In some English-speaking countries this unit is called ≪metric ton≫." resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Tonne" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" base-units-expression: "kg" scale: exponent: 3 x-optimade-definition: label: "tonne_si_1970_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "tonne" ././@LongLink0000644000000000000000000000016200000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/arcminute.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/a0000644000200400020040000000573115112031047031726 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/arcminute" title: "arcminute" symbol: "arcmin" display-symbol: "′" alternate-symbols: - "minute of arc" - "minute of angle" - "MOA" - "'" description: |- A unit of plane and phase angle equal to 1/60 of a degree which is 1/21600 of a circle and equivalent to pi/10800 rad, with rad defined according to the 1960 supplementary SI unit. This definition uses "arcminute" as the unit name to distinguish it from the time unit named minute. A footnote in the International System of Units, 9th ed. (2019) note that "arcsecond is an alternative name for second of plane angle". However, "arcminute" and "arcmin" have so far not been mentioned in any of the editions of the International System of Units. They are defined in the GNU Units 3.15 unit database as 1/60 degree. The unit appear under the name minute (with symbol ′) in the International System of Units (SI), 1st ed. (1970) defined as "1′ = (1/60)° = (π/10800) rad". - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use with the International System." - The International System of Units (SI), 7th ed. (1998) adds as a footnote: "ISO 31 recommends that the degree be subdivided decimally rather than using the minute and second." - The International System of Units (SI), 8th ed. (2006) further adds to that footnote: "For navigation and surveying, however, the minute has the advantage that one minute of latitude on the surface of the Earth corresponds (approximately) to one nautical mile." - The International System of Units (SI), 9th ed. (2019) replaces the footnote with: "For some applications such as in astronomy, small angles are measured in arcseconds (i.e. seconds of plane angle), denoted as or ′′, or milliarcseconds, microarcseconds and picoarcseconds, denoted mas, μas and pas, respectively, where arcsecond is an alternative name for second of plane angle." - The formulation "denoted as or ″" is reproduced here faithfully from the source and suggests an alternate symbol may have been omitted due to a typographical error. It is not clear what alternate symbol was intended to be referenced. resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Minute_and_second_of_arc" defining-relation: base-units: - symbol: "pi" id: "https://schemas.optimade.org/defs/v1.2/constants/math/basic/pi" - symbol: "rad" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/radian" base-units-expression: "pi*rad" scale: denominator: 10800 x-optimade-definition: label: "arcminute_si_1970_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "arcminute" ././@LongLink0000644000000000000000000000016300000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/atmosphere.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/a0000644000200400020040000000475215112031047031730 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/atmosphere" title: "standard atmosphere" symbol: "atm" display-symbol: "atm" description: |- A pressure approximately equal to the average atmospheric pressure at sea level on Earth, defined as 101325 Pa using the 1967 SI units. The standard atmosphere unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 atm = 101325 Pa" with the footnote "Resolution 4 at the 10th C.G.P.M. (1954)." (While the pascal unit appears in the 1st ed. as a symbol for N·s/m², it was adopted into SI at the 14th CGPM meeting in 1971.) - In the International System of Units (SI), 1st ed. (1970) it is categorized as "temporarily admitted" for use with the SI units. - The International System of Units (SI), 4th ed. (1981) changes the categorization to "Other units generally deprecated" and adds to the footnote that: "The designation "standard atmosphere" for a reference pressure of 101 325 Pa is still acceptable." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Examples of other non-SI units." - The International System of Units (SI), 8th ed. (2006) omits the unit, but uses the term in a footnote to the definition of the unit bar to clarify that prior to 1982 the standard pressure used to tabulate thermodynamical data was the standard atmosphere. - The International System of Units (SI), 9th ed. (2006) no longer references the unit or designation. resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Definition of pascal at the 14th CGPM Meeting (1971)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/14-1971" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Standard_atmosphere_(unit)" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m^-1*s^-2" scale: numerator: 101325 x-optimade-definition: label: "atmosphere_si_1970_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "atmosphere" ././@LongLink0000644000000000000000000000017100000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/astronomicalunit.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/a0000644000200400020040000001046515112031047031726 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/astronomicalunit" title: "astronomical unit" symbol: "au" display-symbol: "au" alternate-symbols: - "AU" description: |- A length representing the mean distance between the Earth and the Sun defined via the circular orbit radius for a body with a specific angular velocity. The International System of Units (SI), 1st ed. (1970) defines the unit in a footnote as "The astronomical unit of distance is the length of the unperturbed circular orbit about the Sun of a body of infinitesimal mass in motion around the Sun with an angular sidereal velocity of 0.017202098950 radians per ephemeris day of 86,400 seconds. In the System of Astronomical Constants of the International Astronomical Union, the adopted value is: 1 AU = 149,600 x 10⁶ m." This definition interprets the definition to be the expression in radians and seconds, with the meter value regarded only as an approximation. - The radian refers to the 1960 supplementary SI unit (https://schema.optimade.org/units/si/1960/supplementary/radian) - The second refers to the 1967 base SI unit (https://schema.optimade.org/units/si/1967/base/second) - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units for use with the SI in specific domains." - The International System of Units (SI), 2nd ed. (1973) categorizes the unit as "Non-SI units accepted for use with the International System, whose values in SI units are obtained experimentally" and prefixes the footnote with: "This unit does not have an international symbol; abbreviations are used, for example, UA in French, AU in English, AG in German, а.е. in Russian, etc." - The International System of Units (SI), 4th ed. (1981) omits the unit. - The International System of Units (SI), 7th ed. (1998) reintroduces the unit in the category "Non-SI units accepted for use with the International System, whose values in SI units are obtained experimentally." with the experimental relationship "1 au = 1.49597870691(30)×10¹¹ m" with the footnote: "The astronomical unit is a unit of length approximatively equal to the mean Earth-Sun distance. Its value is such that, when used to describe the motion of bodies in the Solar System, the heliocentric gravitational constant is (0.01720209895)² ua³⋅d⁻²." - The International System of Units (SI), 8th ed. (2006) notes the experimental relationship "1 au = 1.49597870691(6)×10¹¹ m" and changes the footnote to: "The astronomical unit is approximately equal to the mean Earth-Sun distance. It is the radius of an unperturbed circular Newtonian orbit about the Sun of a particle having infinitesimal mass, moving with a mean motion of 0.01720209895 radians per day (known as the Gaussian constant). The value given for the astronomical unit is quoted from the IERS Conventions 2003 (D.D. McCarthy and G. Petit eds., IERS Technical Note 32, Frankfurt am Main: Verlag des Bundesamts für Kartographie und Geodäsie, 2004, 12). The value of the astronomical unit in metres comes from the JPL ephemerides DE403 (Standish E.M., Report of the IAU WGAS Sub-Group on Numerical Standards, Highlights of Astronomy, Appenzeller ed., Dordrecht: Kluwer Academic Publishers, 1995, 180-184)." - The International System of Units (SI), 9th ed. (2019) redefines the unit to have an exact relationship to the meter with the footnote: "As decided at the XXVIII General Assembly of the International Astronomical Union (Resolution B2, 2012)." This redefined astronomical unit is regarded as a different unit and is thus not covered by this unit definition. resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Astronomical_unit" approximate-relations: - base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" base-units-expression: "m" scale: value: 1.49597870691E+11 standard_uncertainty: 0.00000000006E+11 x-optimade-definition: label: "astronomicalunit_si_1970_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "astronomicalunit" ././@LongLink0000644000000000000000000000015700000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/parsec.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/p0000644000200400020040000000322715112031047031743 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/parsec" title: "parsec" symbol: "pc" display-symbol: "pc" description: |- The distance at which 1 astronomical unit subtends an angle of 1 arcsecond using the definition of the astronomical unit and arcsecond appearing in the International System of Units (SI), 1st ed. (1970) The parsec unit appears in the International System of Units (SI), 1st ed. (1970) defined in a footnote as "1 parsec is the distance at which 1 astronomical unit subtends an angle of 1 arcsecond; therefore, approximately, 1 pc = 206 265 AU = 30 857 x 10¹² m." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units for use with the SI in specific domains." - The International System of Units (SI), 2nd ed. (1973) categorizes the unit as "Non-SI units accepted for use with the International System, whose values in SI units are obtained experimentally." - The International System of Units (SI), 4th ed. (1981) and later editions omit the unit. resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Parsec" approximate-relations: - base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" scale: value: 3.0857e+16 x-optimade-definition: label: "parsec_si_1970_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "parsec" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/hour.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/h0000644000200400020040000000240315112031047031726 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/hour" title: "hour" symbol: "h" display-symbol: "h" description: |- A unit of time equal to 60 minutes, or 3600 seconds, using the 1967 base SI units. The hour unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 h = 60 min = 3600 s". - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Non-SI units accepted for use with the International System." resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Hour" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" base-units-expression: "s" scale: numerator: 3600 x-optimade-definition: label: "hour_si_1970_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "hour" ././@LongLink0000644000000000000000000000016500000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/electronvolt.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/e0000644000200400020040000000507215112031047031730 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/electronvolt" title: "electron volt" symbol: "eV" display-symbol: "eV" description: |- A unit of energy equal to the amount of kinetic energy acquired by an electron as it accelerates through a 1 volt potential difference in a vacuum using the 1967 SI units. The electronvolt unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 electronvolt is the energy acquired by an electron after traversing a potential difference of 1 V in a vacuum; 1 eV = 1.60219×10⁻¹⁹ J approximately." The definition makes the unit equal to 1 volt times the experimentally determined value of the elementary charge. Later editions update the approximate relation to use the respectively recommended value by CODATA at the time. In the 1970 definition, the volt refers to the 1967 volt derived named SI unit (https://schemas.optimade.org/defs/v1.2/units/si/1967/named/volt). - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units for use with the SI in specific domains." - The International System of Units (SI), 2nd ed. (1973) categorizes the unit as "Non-SI units accepted for use with the International System, whose values in SI units are obtained experimentally." - Following the redefinitions of the SI units 2019, the electronvolt has an exact relationship to the joule, hence the International System of Units (SI), 9th ed. (2019) notes "1 eV = 1.602176634·10⁻¹⁹ J" and categorizes the unit as "Non-SI units accepted for use with the SI units". The footnote is also rephrased to say: "The electron volt is the kinetic energy acquired by an electron after traversing a potential difference of 1 V in a vacuum. The electronvolt is often combined with the SI prefixes." resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Electronvolt" approximate-relations: - base-units: - symbol: "V" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/volt" - symbol: "e" id: "https://schemas.optimade.org/defs/v1.2/constants/codata/2018/electromagnetic/elementarycharge" base-units-expression: "e*V" x-optimade-definition: label: "electronvolt_si_1970_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "electronvolt" ././@LongLink0000644000000000000000000000016200000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/arcsecond.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/a0000644000200400020040000000522015112031047031717 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/arcsecond" title: "arcsecond" symbol: "arcsec" display-symbol: "″" alternate-symbols: - "second of plane angle" - "second of arc" - "\"" description: |- A unit of plane and phase angle equal to 1/60 of an arcminute, which is 1/1296000 of a circle and equivalent to pi/648000 rad, with rad defined according to the 1960 supplementary SI unit. This definition uses "arcsecond" as the unit name to distinguish it from the time unit named minute. The unit appear under the name second (with symbol ″) in the International System of Units (SI), 1st ed. (1970) defined as "1″ = (1/60)′ = (π/648 000) rad." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use with the International System." - The International System of Units (SI), 7th ed. (1998) adds as a footnote: "ISO 31 recommends that the degree be subdivided decimally rather than using the minute and second." - The International System of Units (SI), 8th ed. (2006) further adds to that footnote: "For navigation and surveying, however, the minute has the advantage that one minute of latitude on the surface of the Earth corresponds (approximately) to one nautical mile." - The International System of Units (SI), 9th ed. (2019) replaces the footnote with: "For some applications such as in astronomy, small angles are measured in arcseconds (i.e. seconds of plane angle), denoted as or ′′, or milliarcseconds, microarcseconds and picoarcseconds, denoted mas, μas and pas, respectively, where arcsecond is an alternative name for second of plane angle." The formulation "denoted as or ″" is reproduced here faithfully from the source and suggests an alternate symbol may have been omitted due to a typographical error. It is not clear what alternate symbol was intended to be referenced. resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Minute_and_second_of_arc" defining-relation: base-units: - symbol: "pi" id: "https://schemas.optimade.org/defs/v1.2/constants/math/basic/pi" - symbol: "rad" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/radian" base-units-expression: "pi*rad" scale: denominator: 648000 x-optimade-definition: label: "arcsecond_si_1970_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "arcsecond" ././@LongLink0000644000000000000000000000015700000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/minute.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1970/accepted/m0000644000200400020040000000237715112031047031745 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/minute" title: "minute" symbol: "min" display-symbol: "min" description: |- A unit of time that is equal to 60 seconds, using the 1967 base SI units. The minute unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 min = 60 s". - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Non-SI units accepted for use with the International System." resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Minute" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" base-units-expression: "s" scale: numerator: 60 x-optimade-definition: label: "minute_si_1970_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "minute" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1971/0000775000200400020040000000000015112031047030010 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1971/base/0000775000200400020040000000000015112031047030722 5ustar andriusandrius././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1971/base/mole.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1971/base/mole.0000644000200400020040000000305715112031047031662 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1971/base/mole" title: "mole" symbol: "mol" display-symbol: "mol" description: |- The SI base unit of amount of substance defined via the number of atoms in 12 grams of carbon 12 at the 14th CGPM Meeting in 1971 and clarified at the 69th CIPM meeting in 1980. "1. The mole is the amount of substance of a system which contains as many elementary entities as there are atoms in 0.012 kilogram of carbon 12. 2. When the mole is used, the elementary entities must be specified and may be atoms, molecules, ions, electrons, other particles, or specified groups of such particles." [14th CGPM Meeting (1971), resolution 3]. The 69th CIPM meeting in 1980 approved to append a clarification to the above definition: "In this definition, it is understood that unbound atoms of carbon 12, at rest and in their ground state, are referred to." resources: - relation: "Definition in the 14th CGPM Meeting in 1971, resolution 3" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/14-1971/resolution-3" - relation: "Clarification in the 96th meeting of the CIPM" resource-id: "https://www.bipm.org/en/committees/ci/cipm/69-1980" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Mole_(unit)" standard: name: "si" year: 1971 category: "base" symbol: "mol" x-optimade-definition: label: "mole_si_1971_base" kind: "unit" format: "1.2" version: "1.2.0" name: "mole" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1971/named/0000775000200400020040000000000015112031047031074 5ustar andriusandrius././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1971/named/pascal.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1971/named/pasc0000644000200400020040000000252215112031047031744 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1971/named/pascal" title: "pascal" symbol: "Pa" display-symbol: "Pa" description: |- A derived SI unit for pressure and stress equal to kg·m⁻¹·s⁻² using the 1967 SI base units, defined at the 14th CGPM Meeting (1971). "The International Committee will ask the General Conference to approve two special names: pascal (symbol Pa) for the SI unit of pressure (N/m²), [...]" [14th CGPM Meeting (1971)]. resources: - relation: "Definition at the 14th CGPM Meeting (1971)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/14-1971" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Pascal_(unit)" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m^-1*s^-2" standard: name: "si" year: 1971 category: "named" symbol: "Pa" x-optimade-definition: label: "pascal_si_1971_named" kind: "unit" format: "1.2" version: "1.2.0" name: "pascal" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1971/named/siemens.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1971/named/siem0000644000200400020040000000271015112031047031752 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1971/named/siemens" title: "siemens" symbol: "S" display-symbol: "S" description: |- A derived SI unit for electrical conductance equal to kg⁻¹·m⁻²·s³·A² using the 1967 SI base units, defined at the 14th CGPM Meeting (1971). "The International Committee will ask the General Conference to approve two special names: [...] siemens (symbol S) for the SI unit of conductance (Ω⁻¹)." [14th CGPM Meeting (1971)]. resources: - relation: "Definition at the 14th CGPM Meeting (1971)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/14-1971" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Siemens_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^2*kg^-1*m^-2*s^3" standard: name: "si" year: 1971 category: "named" symbol: "S" x-optimade-definition: label: "siemens_si_1971_named" kind: "unit" format: "1.2" version: "1.2.0" name: "siemens" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1975/0000775000200400020040000000000015112031047030014 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1975/named/0000775000200400020040000000000015112031047031100 5ustar andriusandrius././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1975/named/gray.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1975/named/gray0000644000200400020040000000240115112031047031760 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1975/named/gray" title: "gray" symbol: "Gy" display-symbol: "Gy" description: |- A derived SI unit for absorbed dose of ionizing radiation equal to m²·s⁻² using the 1967 base SI units at the 15th CGPM Meeting in 1975. "The 15th Conférence Générale des Poids et Mesures, [...] adopts the following special name for the SI unit of ionizing radiation: gray, symbol Gy, equal to one joule per kilogram." [15th CGPM Meeting (1975)] resources: - relation: "Definition at the 15th CGPM Meeting (1975)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/15-1975" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Gray_(unit)" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "m^2*s^-2" standard: name: "si" year: 1975 category: "named" symbol: "Gy" x-optimade-definition: label: "gray_si_1975_named" kind: "unit" format: "1.2" version: "1.2.0" name: "gray" ././@LongLink0000644000000000000000000000015700000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1975/named/becquerel.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1975/named/becq0000644000200400020040000000223015112031047031730 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1975/named/becquerel" title: "becquerel" symbol: "Bq" display-symbol: "Bq" description: |- A derived SI unit for radioactivity, defined as s⁻¹ using the 1967 SI second, defined at the 15th CGPM Meeting in 1975. "The 15th Conférence Générale des Poids et Mesures, [...] adopts the following special name for the SI unit of activity: becquerel, symbol Bq, equal to one reciprocal second." [15th CGPM Meeting (1975)] resources: - relation: "Definition at the 15th CGPM Meeting (1975)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/15-1975" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Becquerel" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "s^-1" standard: name: "si" year: 1975 category: "named" symbol: "Bq" x-optimade-definition: label: "becquerel_si_1975_named" kind: "unit" format: "1.2" version: "1.2.0" name: "becquerel" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/0000775000200400020040000000000015112031047030006 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/base/0000775000200400020040000000000015112031047030720 5ustar andriusandrius././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/base/second.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/base/secon0000644000200400020040000000232315112031047031750 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" title: "second" symbol: "s" display-symbol: "s" description: |- The SI base unit of time defined as a specific fraction of the tropical year 1900 at the 11th CGPM Meeting in 1960. "The second is the fraction 1/31556925.9747 of the tropical year for 1900 January 0 at 12 hours ephemeris time." [11th CGPM Meeting in 1960, resolution 9] The second was included into SI at the 11th CGPM Meeting in 1960 in resolution 12. resources: - relation: "Definition at the 11th CGPM meeting (1960), resolution 6." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-6" - relation: "Establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Second" standard: name: "si" year: 1960 category: "base" symbol: "s" x-optimade-definition: label: "second_si_1960_base" kind: "unit" format: "1.2" version: "1.2.0" name: "second" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/base/candela.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/base/cande0000644000200400020040000000375315112031047031723 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/candela" title: "candela" symbol: "cd" display-symbol: "cd" description: |- The SI base unit of luminous intensity in a given direction defined from the radiation of a black body at the solidification temperature of platinum, which was included into SI at the 11th CGPM Meeting in 1960. "The candela is the sixtieth of the luminous intensity emitted perpendicularly by one square centimeter of a perfect radiator (black body) at the solidification temperature of platinum." [9th CGPM meeting (1948)]. This was a ratification of a definition of a definition at the 41st CIPM meeting in 1946, resolution 1, with a different phrasing: "The value of the new candle is such that the brightness of the full radiator at the temperature of solidification of platinum is 60 new candles per square centimetre." The candela was adopted into SI at the 11th CGPM Meeting in 1960, resolution 12. Furthermore, in the definition SI 1960 definition of the candela the centimeter in the definition references 10⁻² times the SI 1960 metre (https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre). resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Related definition at the 41st CIPM meeting (1946)" resource-id: "https://www.bipm.org/en/committees/ci/cipm/41-1946/resolution-1" - relation: "Establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Candela" standard: name: "si" year: 1960 category: "base" symbol: "cd" x-optimade-definition: label: "candela_si_1960_base" kind: "unit" format: "1.2" version: "1.2.0" name: "candela" ././@LongLink0000644000000000000000000000016100000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/base/degreekelvin.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/base/degre0000644000200400020040000000265015112031047031732 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/degreekelvin" title: "degree Kelvin" symbol: "degK" display-symbol: "°K" description: |- The base SI unit of thermodynamic temperature defined from the triple point of water, which was adopted into SI at the 11th CGPM Meeting in 1960, resolution 12. "The 10th Conférence Générale des Poids et Mesures decides to define the thermodynamic temperature scale by choosing the triple point of water as the fundamental fixed point, and assigning to it the temperature 273.16 degrees Kelvin, exactly." [10th CGPM Meeting (1954), resolution 3] The degree Kelvin was adopted into SI at the 11th CGPM Meeting in 1960, resolution 12. resources: - relation: "Definition at the 10th CGPM meeting (1954), resolution 3" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/10-1954/resolution-3" - relation: "Establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Kelvin" standard: name: "si" year: 1960 category: "base" symbol: "degK" x-optimade-definition: label: "degreekelvin_si_1960_base" kind: "unit" format: "1.2" version: "1.2.0" name: "degreekelvin" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/base/kilogram.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/base/kilog0000644000200400020040000000247615112031047031757 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" title: "kilogram" symbol: "kg" display-symbol: "kg" description: |- The SI base unit of mass as defined as the mass of the international kilogram prototype, which was adopted into SI at the 11th CGPM Meeting in 1960. "The prototype of the kilogram adopted by the International Committee; This prototype will henceforth be considered as the unit of mass;", referring to the international prototype of the kilogram made of platinum-iridium [1st CGPM Meeting (1889)]. The kilogram was adopted into SI at the 11th CGPM Meeting in 1960, resolution 12. resources: - relation: "Definition at the 1st CGPM meeting (1889)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/1-1889" - relation: "Establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Kilogram" standard: name: "si" year: 1960 category: "base" symbol: "kg" x-optimade-definition: label: "kilogram_si_1960_base" kind: "unit" format: "1.2" version: "1.2.0" name: "kilogram" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/base/ampere.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/base/amper0000644000200400020040000000401415112031047031744 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/ampere" title: "ampere" symbol: "A" display-symbol: "A" description: |- The SI base unit of electric current defined from the force between parallel wires carrying an electric current, which was included in the SI at the 11th CGPM Meeting in 1960. "The ampere is that constant current which, if maintained in two straight parallel conductors of infinite length, of negligible circular cross-section, and placed 1 metre apart in vacuum, would produce between these conductors a force equal to 2×10⁻⁷ MKS unit of force per metre of length." [41st CIPM meeting (1946), Resolution 2]. The ampere was adopted into SI at the 11th CGPM Meeting in 1960, resolution 12. Furthermore, the SI 1960 definition of the ampere depend on: - the SI 1960 metre (https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre) - the MKS unit of force, which references the derived SI unit newton (https://schemas.optimade.org/defs/v1.2/units/si/1960/derived/newton) equal to kilogram·metre·second⁻², referencing the SI 1960 kilogram (https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram), metre (https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre) and second (https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second). resources: - relation: "Definition at the 41st CIPM meeting (1946), resolution 2" resource-id: "https://www.bipm.org/en/committees/ci/cipm/41-1946/resolution-2" - relation: "Establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Ampere" standard: name: "si" year: 1960 category: "base" symbol: "A" x-optimade-definition: label: "ampere_si_1960_base" kind: "unit" format: "1.2" version: "1.2.0" name: "ampere" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/base/metre.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/base/metre0000644000200400020040000000257715112031047031770 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" title: "metre" symbol: "m" display-symbol: "m" alternate-symbols: - "metre" - "meter" description: |- The metre, or meter, is the SI base unit of length defined in terms of the wavelength of the radiation for a specific transition in krypton 86 as redefined at the 11th CGPM Meeting in 1960. "The metre is the length equal to 1650763.73 wavelengths in vacuum of the radiation corresponding to the transition between the levels 2p₁₀ and 5d₅ of the krypton 86 atom." [11th CGPM meeting (1960), resolution 6] The metre was adopted into SI at the 11th CGPM Meeting in 1960, resolution 12. resources: - relation: "Definition at the 11th CGPM meeting (1960), resolution 6." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-6" - relation: "Establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Metre" standard: name: "si" year: 1960 category: "base" symbol: "m" x-optimade-definition: label: "metre_si_1960_base" kind: "unit" format: "1.2" version: "1.2.0" name: "metre" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/0000775000200400020040000000000015112031047031072 5ustar andriusandrius././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/weber.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/webe0000644000200400020040000000315215112031047031736 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/weber" title: "weber" symbol: "Wb" display-symbol: "Wb" description: |- A derived SI unit for magnetic flux equal to kg·m²·s⁻³·A⁻¹ in the 1960 SI base units. "The weber is the magnetic induction flux that, passing through a single-turn circuit, produces an electromotive force of one volt if it is reduced to zero in one second by uniform decay." [9th CGPM meeting in 1946] resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Weber_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" base-units-expression: "A^-1*kg*m^2*s^-3" standard: name: "si" year: 1960 category: "named" symbol: "Wb" x-optimade-definition: label: "weber_si_1960_named" kind: "unit" format: "1.2" version: "1.2.0" name: "weber" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/lumen.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/lume0000644000200400020040000000253415112031047031761 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/lumen" title: "lumen" symbol: "lm" display-symbol: "lm" description: |- A derived SI unit for luminous flux equal to cd·sr in the 1960 SI base units. "The lumen is the luminous flux emitted in a steradian by a uniform point source with a luminous intensity of one candela." [9th CGPM meeting in 1946] resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Lumen_(unit)" defining-relation: base-units: - symbol: "cd" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/candela" - symbol: "sr" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/steradian" base-units-expression: "cd*sr" standard: name: "si" year: 1960 category: "named" symbol: "lm" x-optimade-definition: label: "lumen_si_1960_named" kind: "unit" format: "1.2" version: "1.2.0" name: "lumen" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/tesla.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/tesl0000644000200400020040000000245215112031047031765 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/tesla" title: "tesla" symbol: "T" display-symbol: "T" description: |- The tesla is a derived SI unit for magnetic flux density equal to kg·s⁻²·A⁻¹ in the 1960 SI base units. The tesla was defined as 1 Wb/m in the introduction of the SI unit system at the 11th CGPM Meeting in 1960. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Tesla_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" base-units-expression: "A^-1*kg*s^-2" standard: name: "si" year: 1960 category: "named" symbol: "T" x-optimade-definition: label: "tesla_si_1960_named" kind: "unit" format: "1.2" version: "1.2.0" name: "tesla" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/watt.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/watt0000644000200400020040000000256715112031047032004 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/watt" title: "watt" symbol: "W" display-symbol: "W" description: |- A derived SI unit for power and radiant flux equal to kg·m²·s⁻³ in the 1960 SI base units. "The watt is the power that produces one joule per second." [9th CGPM meeting in 1946] resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Watt" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" base-units-expression: "kg*m^2*s^-3" standard: name: "si" year: 1960 category: "named" symbol: "W" x-optimade-definition: label: "watt_si_1960_named" kind: "unit" format: "1.2" version: "1.2.0" name: "watt" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/coulomb.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/coul0000644000200400020040000000246115112031047031760 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/coulomb" title: "coulomb" symbol: "C" display-symbol: "C" description: |- A derived SI unit for electric charge, equal to s·A in the 1960 SI base units. "The coulomb is the amount of electricity transported in one second by a current of one ampere." [9th CGPM meeting in 1946] resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Coulomb" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/ampere" base-units-expression: "A*s" standard: name: "si" year: 1960 category: "named" symbol: "C" x-optimade-definition: label: "coulomb_si_1960_named" kind: "unit" format: "1.2" version: "1.2.0" name: "coulomb" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/farad.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/fara0000644000200400020040000000317215112031047031727 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/farad" title: "farad" symbol: "F" display-symbol: "F" description: |- A derived SI unit for electrical capacitance equal to kg⁻¹·m⁻²·s⁴·A² in the 1960 SI base units. "The farad is the capacitance of an electric capacitor between whose plates an electric potential difference of one volt appears when it is charged with an amount of electricity equal to one coulomb." [9th CGPM meeting in 1946] resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Farad" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" base-units-expression: "A^2*kg^-1*m^-2*s^4" standard: name: "si" year: 1960 category: "named" symbol: "F" x-optimade-definition: label: "farad_si_1960_named" kind: "unit" format: "1.2" version: "1.2.0" name: "farad" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/volt.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/volt0000644000200400020040000000324415112031047032002 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/volt" title: "volt" symbol: "V" display-symbol: "V" description: |- The volt is a derived SI unit for electric potential, voltage, and electromotive force equal to kg·m²·s⁻³·A⁻¹ in the 1960 SI base units. "The volt is the electric potential difference that exists between two points of a conducting wire carrying a constant current of one ampere when the power dissipated between these points is equal to one watt." [9th CGPM meeting in 1946] resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Volt" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/ampere" base-units-expression: "A^-1*kg*m^2*s^-3" standard: name: "si" year: 1960 category: "named" symbol: "V" x-optimade-definition: label: "volt_si_1960_named" kind: "unit" format: "1.2" version: "1.2.0" name: "volt" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/joule.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/joul0000644000200400020040000000266715112031047031777 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/joule" title: "joule" symbol: "J" display-symbol: "J" description: |- A derived SI unit for energy, work, and heat equal to kg·m²·s⁻² in the 1960 SI base units. "The joule is the work produced by a newton whose point of application moves one meter in the direction of the force." [9th CGPM meeting in 1946] resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Joule" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" base-units-expression: "kg*m^2*s^-2" standard: name: "si" year: 1960 category: "named" symbol: "J" x-optimade-definition: label: "joule_si_1960_named" kind: "unit" format: "1.2" version: "1.2.0" name: "joule" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/ohm.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/ohm.0000644000200400020040000000331215112031047031653 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/ohm" title: "ohm" symbol: "ohm" display-symbol: "Ω" description: |- A derived SI unit for electrical resistance equal to kg·m²·s⁻³·A⁻² in the 1960 SI base units. "The ohm is the electrical resistance that exists between two points of a conductor when a constant potential difference of one volt, applied between these two points, produces a current of one ampere in the conductor, provided that the conductor is not the seat of any electromotive force." [9th CGPM meeting in 1946] resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Ohm" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" base-units-expression: "A^-2*kg*m^2*s^-3" standard: name: "si" year: 1960 category: "named" symbol: "ohm" x-optimade-definition: label: "ohm_si_1960_named" kind: "unit" format: "1.2" version: "1.2.0" name: "ohm" ././@LongLink0000644000000000000000000000016000000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/degcelsius.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/degc0000644000200400020040000000236115112031047031717 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/degcelsius" title: "degree Celsius" symbol: "degC" display-symbol: "°C" alternate-symbols: - "degreecelsius" description: |- A derived SI unit of temperature, defined as degree kelvin offset with +273.15 in the SI base units adopted at the 11th CGPM Meeting in 1960. "If we add to the practical international Celsius temperatures defined above T₀ = 273.15 degrees, we obtain the practical international Kelvin temperatures. By subtracting T₀ from the thermodynamic temperatures, we obtain the thermodynamic Celsius temperatures." [11th CGPM meeting (1960)] resources: - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Celsius" defining-relation: base-units: - symbol: "degK" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/degreekelvin" base-units-expression: "degK" offset: numerator: 27315 denominator: 100 standard: name: "si" year: 1960 category: "named" symbol: "degC" x-optimade-definition: label: "degcelsius_si_1960_named" kind: "unit" format: "1.2" version: "1.2.0" name: "degcelsius" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/newton.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/newt0000644000200400020040000000270615112031047031775 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/newton" title: "newton" symbol: "N" display-symbol: "N" description: | A derived SI unit for force and weight equal to kg·m·s⁻² in the 1960 SI base units. "The newton is the force that, in one second, imparts to a mass equal to one kilogram an increase in speed of one meter per second." [9th CGPM meeting in 1946] resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Newton_(unit)" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" base-units-expression: "kg*m*s^-2" standard: name: "si" year: 1960 category: "named" symbol: "N" x-optimade-definition: label: "newton_si_1960_named" kind: "unit" format: "1.2" version: "1.2.0" name: "newton" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/hertz.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/hert0000644000200400020040000000233115112031047031754 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/hertz" title: "hertz" symbol: "Hz" display-symbol: "Hz" description: |- A derived SI unit for frequency equal to s⁻¹ in the 1960 SI base units. "The frequency of a periodic phenomenon is expressed in hertz, as the inverse of its period expressed in seconds." [9th CGPM meeting in 1946] resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Hertz" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" base-units-expression: "s^-1" standard: name: "si" year: 1960 category: "named" symbol: "Hz" x-optimade-definition: label: "hertz_si_1960_named" kind: "unit" format: "1.2" version: "1.2.0" name: "hertz" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/lux.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/lux.0000644000200400020040000000266715112031047031714 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/lux" title: "lux" symbol: "lx" display-symbol: "lx" description: |- A derived SI unit for illuminance equal to cd⋅sr⋅m⁻² in the 1960 SI base units. "The lux is the illuminance of a surface that receives a uniformly distributed luminous flux of one lumen per square meter." [9th CGPM meeting in 1946] resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Lux" defining-relation: base-units: - symbol: "cd" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/candela" - symbol: "sr" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/steradian" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" base-units-expression: "cd*m^-2*sr" standard: name: "si" year: 1960 category: "named" symbol: "lx" x-optimade-definition: label: "lux_si_1960_named" kind: "unit" format: "1.2" version: "1.2.0" name: "lux" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/henry.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/named/henr0000644000200400020040000000317415112031047031754 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/henry" title: "henry" symbol: "H" display-symbol: "H" description: |- A derived SI unit for inductance equal to kg·m²·s⁻²·A⁻² in the 1960 SI base units. "The henry is the inductance of a closed circuit in which an electromotive force of one volt is produced when the electric current passing through the circuit varies uniformly at a rate of one ampere per second." [9th CGPM meeting in 1946] resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Henry_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" base-units-expression: "A^-2*kg*m^2*s^-2" standard: name: "si" year: 1960 category: "named" symbol: "H" x-optimade-definition: label: "henry_si_1960_named" kind: "unit" format: "1.2" version: "1.2.0" name: "henry" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/supplementary/OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/supplement0000775000200400020040000000000015112031047032123 5ustar andriusandrius././@LongLink0000644000000000000000000000016400000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/supplementary/radian.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/supplement0000644000200400020040000000475615112031047032137 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/radian" title: "radian" symbol: "rad" display-symbol: "rad" description: |- An SI unit of plane angle defined from the relation of the arc length on a circle intercepted at a given radius so that the full circle has an angle of 4π radians. The radian is defined at the 9th CGPM Meeting in 1948 as: "The radian is the angle with its vertex at the center of a circle that intercepts an arc of length equal to the radius on the circumference of that circle." The International System of Units (SI), 9th ed. (2019) has a longer but equivalent definition: "The plane angle, expressed in radian, between two lines originating from a common point is the length of circular arc \(s\), swept out between the lines by a radius vector of length \(r\) from the common point divided by the length of the radius vector, \(\theta\) = \(s/r\) rad. The phase angle (often just referred to as the “phase”) is the argument of any complex number. It is the angle between the positive real axis and the radius of the polar representation of the complex number in the complex plane. One radian corresponds to the angle for which \(s = r\), thus 1 rad = 1. The measure of the right angle is exactly equal to the number π/2." The radian is categorized in the International System of Units (SI), 1st Edition as a supplementary SI unit. At the 20th CGPM meeting in 1995, resolution 8 the categorization was changed to a dimensionless derived SI unit. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Reclassification at the 20th CGPM meeting (1995)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/20-1995/resolution-8" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Radian" standard: name: "si" year: 1960 category: "supplementary" symbol: "rad" x-optimade-definition: label: "radian_si_1960_supplementary" kind: "unit" format: "1.2" version: "1.2.0" name: "radian" ././@LongLink0000644000000000000000000000016700000000000011607 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/supplementary/steradian.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1960/supplement0000644000200400020040000000425215112031047032126 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/steradian" title: "steradian" symbol: "sr" display-symbol: "sr" alternate-symbols: - "sterad" description: |- A supplementary SI unit of solid angle defined from the relation of the area cut out on a sphere at a given radius so that the entire sphere has a solid angle of 4π steradians, defined at the 9th CGPM Meeting in 1948 and included into SI at the 11th CGPM Meeting in 1960. The radian is defined at the 9th CGPM Meeting in 1948 as: "The unit of solid angle is the steradian. The steradian is the solid angle with its vertex at the center of a sphere with a radius of one meter, which cuts out an area of one square meter on the surface of that sphere." The International System of Units (SI), 9th Edition give a rephrased but equivalent definition: "The solid angle, expressed in steradian, corresponds to the ratio between an area \(A\) of the surface of a sphere of radius \(r\) and the squared radius, \(\Omega = A/r^2\) sr. One steradian corresponds to the solid angle for which \(A = r^2\), thus 1 sr = 1." The steradian is categorized in the International System of Units (SI), 1st Edition as a supplementary SI unit. At the 20th CGPM meeting in 1995, resolution 8 the categorization was changed to a dimensionless derived SI unit. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Reclassification at the 20th CGPM meeting (1995)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/20-1995/resolution-8" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Steradian" standard: name: "si" year: 1960 category: "supplementary" symbol: "sr" x-optimade-definition: label: "steradian_si_1960_supplementary" kind: "unit" format: "1.2" version: "1.2.0" name: "steradian" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1999/0000775000200400020040000000000015112031047030022 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1999/named/0000775000200400020040000000000015112031047031106 5ustar andriusandrius././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1999/named/katal.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1999/named/kata0000644000200400020040000000274315112031047031755 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1999/named/katal" title: "katal" symbol: "kat" display-symbol: "kat" description: |- A derived SI unit for catalytic activity, defined as mol·s⁻¹ defined at the 21st CGPM meeting in 1999. "The 21st Conférence Générale des Poids et Mesures, [...] decides to adopt the special name katal, symbol kat, for the SI unit mole per second to express catalytic activity, especially in the fields of medicine and biochemistry, and recommends that when the katal is used, the measurand be specified by reference to the measurement procedure; the measurement procedure must identify the indicator reaction." [21st CGPM meeting (1999), resolution 12] resources: - relation: "Definition of the unit at the 21st CGPM (1999)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/21-1999/resolution-12" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Katal" defining-relation: base-units: - symbol: "mol" id: "https://schemas.optimade.org/defs/v1.2/units/si/1971/base/mole" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "mol*s^-1" standard: name: "si" year: 1999 category: "named" symbol: "kat" x-optimade-definition: label: "katal_si_1999_named" kind: "unit" format: "1.2" version: "1.2.0" name: "katal" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/0000775000200400020040000000000015112031047030013 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/base/0000775000200400020040000000000015112031047030725 5ustar andriusandrius././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/base/candela.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/base/cande0000644000200400020040000000435715112031047031731 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/candela" title: "candela" symbol: "cd" display-symbol: "cd" description: |- The candela is the SI base unit of luminous intensity in a given direction defined from the luminous intensity of monochromatic radiation at a specific frequency and radiant intensity at the 16th CGPM Meeting in 1979; implicitly redefined via the redefinition of the metre at the 17th CGPM Meeting in 1983. "The candela is the luminous intensity, in a given direction, of a source that emits monochromatic radiation of frequency 540×10¹² hertz and that has a radiant intensity in that direction of 1/683 watt per steradian." [16th CGPM Meeting (1979), resolution 3]. Following the redefinition of the metre at the 17th CGPM Meeting in 1983, resolution 1, the implicitly redefined candela references: - the SI 1967 derived hertz unit (https://schemas.optimade.org/defs/v1.2/units/si/1967/named/hertz). - the SI 1983 derived watt unit (https://schemas.optimade.org/defs/v1.2/units/si/1983/named/watt). - the SI 1960 supplementary unit steradian (https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/steradian). resources: - relation: "Definition at the 41st CIPM meeting (1946), resolution 2" resource-id: "https://www.bipm.org/en/committees/ci/cipm/41-1946/resolution-2" - relation: "Inclusion in SI at the establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second at the 13th CGPM meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Candela" standard: name: "si" year: 1983 category: "base" symbol: "cd" x-optimade-definition: label: "candela_si_1983_base" kind: "unit" format: "1.2" version: "1.2.0" name: "candela" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/base/ampere.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/base/amper0000644000200400020040000000521615112031047031756 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/ampere" title: "ampere" symbol: "A" display-symbol: "A" description: |- The SI base unit of electric current defined from the force between parallel wires carrying an electric current at the 41st CIPM meeting (1946) and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967 and the redefinition of the metre at the 17th CGPM Meeting in 1983. "The ampere is that constant current which, if maintained in two straight parallel conductors of infinite length, of negligible circular cross-section, and placed 1 metre apart in vacuum, would produce between these conductors a force equal to 2×10⁻⁷ MKS unit of force per metre of length." [41st CIPM meeting (1946), Resolution 2]. Following the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1, and the redefinition of the metre at the 17th CGPM Meeting in 1983, resolution 1, the implicitly redefined ampere references: - the metre in the definition references the SI 1983 metre (https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre) - the MKS unit of force references the derived newton unit (https://schemas.optimade.org/defs/v1.2/units/si/1983/derived/newton) equal to kilogram·metre·second⁻², referencing the SI 1960 kilogram (https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram) and the SI 1983 metre (https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre); and the SI 1967 definition of the second (https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second). resources: - relation: "Definition at the 41st CIPM meeting (1946), resolution 2" resource-id: "https://www.bipm.org/en/committees/ci/cipm/41-1946/resolution-2" - relation: "Inclusion in SI at the establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second at the 13th CGPM meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Ampere" standard: name: "si" year: 1983 category: "base" symbol: "A" x-optimade-definition: label: "ampere_si_1983_base" kind: "unit" format: "1.2" version: "1.2.0" name: "ampere" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/base/metre.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/base/metre0000644000200400020040000000302615112031047031763 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" title: "metre" symbol: "m" display-symbol: "m" alternate-symbols: - "metre" - "meter" description: |- The metre, or meter, is the SI base unit of length defined via the distance light travels in vacuum during a fixed time interval after the redefinition at the 17th CGPM Meeting in 1983. "The metre is the length of the path travelled by light in vacuum during a time interval of 1/299792458 of a second." [17th CGPM Meeting (1983), resolution 1]. At the 26th CGPM Meeting (2018), resolution 1 the definition was rephrased to: "The metre, symbol m, is the SI unit of length. It is defined by taking the fixed numerical value of the speed of light in vacuum \(c\) to be 299792458 when expressed in the unit m⋅s⁻¹, where the second is defined in terms of the caesium frequency \(\Delta \nu_\textrm{Cs}\)." This definition references the SI 1967 second (https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second). resources: - relation: "Definition at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Metre" standard: name: "si" year: 1983 category: "base" symbol: "m" x-optimade-definition: label: "metre_si_1983_base" kind: "unit" format: "1.2" version: "1.2.0" name: "metre" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/0000775000200400020040000000000015112031047032035 5ustar andriusandrius././@LongLink0000644000000000000000000000016700000000000011607 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/radiationunit.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/0000644000200400020040000000470315112031047032041 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/radiationunit" title: "radiation unit" symbol: "radiationunit" display-symbol: "rad" description: |- A unit used to express the absorbed dose of ionizing radiation defined as 10⁻² J/kg using the 1983 SI units. This unit definition uses "radiationunit" as the symbol for this unit despite "rad" being in common use to distinguish it from the radian, which is an SI unit with rad as its symbol. The radiation unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 rad = 10⁻² J/kg" with the footnote: "The rad is a special unit employed to express absorbed dose of ionizing radiation. When there is risk of confusion with the symbol for radian, rd may be used as the symbol for rad." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 3rd ed. (1977) changes the definition to use the unit gray: "1 rad = cGy = 10⁻² Gy." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Examples of other non-SI units" and adds the additional footnote: "Note that this non-SI unit is exactly equivalent to an SI unit with an appropriate submultiple prefix." - The International System of Units (SI), 8th ed. (2006) omits the unit. The roentgen unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Rad_(radiation_unit)" defining-relation: base-units: - symbol: "J" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/joule" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" base-units-expression: "J*kg^-1" scale: exponent: -2 x-optimade-definition: label: "radiationunit_si_1983_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "radiationunit" ././@LongLink0000644000000000000000000000016200000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/roentgen.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/0000644000200400020040000000410615112031047032036 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/roentgen" title: "roentgen" symbol: "R" display-symbol: "R" description: |- A unit used to express the exposure of ionizing radiation defined as 2.58 x 10⁻⁴ C/kg using the 1983 SI units. The roentgen unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 R = 2.58 x 10⁻⁴ C/kg" with the footnote: "The roentgen is a special unit used to express the ionization exposure of ionizing radiation." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 2nd ed. (1973) rephrases the footnote to: "The roentgen is a special unit used to express the exposure of X or gamma radiation." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Examples of other non-SI units". - The International System of Units (SI), 8th ed. (2006) omits the unit. The roentgen unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Roentgen_(unit)" defining-relation: base-units: - symbol: "C" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/coulomb" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" base-units-expression: "C*kg^-1" scale: numerator: 258 exponent: -6 x-optimade-definition: label: "roentgen_si_1983_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "roentgen" ././@LongLink0000644000000000000000000000015600000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/knot.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/0000644000200400020040000000374015112031047032041 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/knot" title: "knot" symbol: "knot" display-symbol: "knot" description: |- A unit of speed primarily used in navigation defined as 1 nautical mile per hour which is equal to (1852/3600) m/s using the 1983 SI units. The knot unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 nautical mile per hour = (1852/3600) m/s." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System." - The International System of Units (SI), 8th ed. (2006) changes the categorization to "Other non-SI units." - The knot is omitted in the International System of Units (SI), 9th Edition (2019). The knot unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Knot_(unit)" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "ms^-1" scale: numerator: 1852 denominator: 3600 x-optimade-definition: label: "knot_si_1983_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "knot" ././@LongLink0000644000000000000000000000016600000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/nauticalmile.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/0000644000200400020040000000570015112031047032037 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/nauticalmile" title: "nautical mile" symbol: "M" display-symbol: "M" alternate-symbols: - "NM" - "Nm" - "nmi" description: |- A unit of length primarily used in navigation defined as 1852 m using the 1983 SI meter. The nautical mile unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 nautical mile = 1852 m" with the footnote "The nautical mile is a special unit employed for marine and aerial navigation to express distance. The conventional value given above was adopted by the First International Extraordinary Hydrographic Conference, Monaco, 1929, under the name 'International nautical mile'." Historically, the nautical mile was defined as the meridian arc length corresponding to one arcminute of latitude. - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System" and adds to the footnote that: "As yet there is no internationally agreed symbol. This unit was originally chosen because one nautical mile on the surface of the Earth subtends approximately one minute of angle at the centre." - The International System of Units (SI), 8th ed. (2006) changes the categorization to "Other non-SI units" and adjusts the footnote to say: "As yet there is no internationally agreed symbol, but the symbols M, NM, Nm, and nmi are all used; in the table the symbol M is used. The unit was originally chosen, and continues to be used, because one nautical mile on the surface of the Earth subtends approximately one minute of angle at the centre of the Earth, which is convenient when latitude and longitude are measured in degrees and minutes of angle." - The nautical mile is omitted in the International System of Units (SI), 9th Edition (2019). The nautical mile unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Nautical_mile" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" base-units-expression: "m" scale: numerator: 1852 x-optimade-definition: label: "nauticalmile_si_1983_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "nauticalmile" ././@LongLink0000644000000000000000000000015600000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/barn.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/0000644000200400020040000000351115112031047032035 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/barn" title: "barn" symbol: "b" display-symbol: "b" description: |- A unit of area used in nuclear physics to express cross sections equal to 100 fm², with meter defined according to the 1983 SI units. The International System of Units (SI), 1st ed. (1970) states: "1 b = 100 fm² = 10⁻²⁸ m" with a footnote "The barn is a special unit used in nuclear physics to express cross sections." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 8th ed. (2006) categorizes the unit as "Other non-SI units currently accepted for use with the International System." - The International System of Units (SI), 9th ed. (2019) categorizes the unit as "Other non-SI units." The are unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Barn_(unit)" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" scale: - exponent: -28 base-units-expression: "m^2" scale: exponent: 4 x-optimade-definition: label: "barn_si_1983_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "barn" ././@LongLink0000644000000000000000000000016100000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/hectare.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/0000644000200400020040000000354615112031047032045 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/hectare" title: "hectare" symbol: "ha" display-symbol: "ha" description: |- A unit of area equal to 1000 square meters (1 hm²), with meter defined according to the 1983 SI base unit. The hectare unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 ha = 1 hm² = 10⁴ m²" with the footnote "This unit and its symbol were adopted by the International Committee in 1879 (Proces-Verbaux C.I.P.M., 1879, p. 41)." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "units in use temporarily". - The International System of Units (SI), 5th ed. (1985) add the clarification that the unit is "used to express agrarian areas." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System." The hectare unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Hectare" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" base-units-expression: "m^2" scale: exponent: 4 x-optimade-definition: label: "hectare_si_1983_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "hectare" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/are.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/0000644000200400020040000000343215112031047032037 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/are" title: "are" symbol: "a" display-symbol: "a" description: |- A unit of area equal to 100 square meters (10² m²), with meter defined according to the 1983 SI units. The are unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 a = 1 dam² = 10² m²" with the footnote "This unit and its symbol were adopted by the International Committee in 1879 (Proces-Verbaux C.I.P.M., 1879, p. 41)." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "units in use temporarily". - The International System of Units (SI), 5th ed. (1985) adds the clarification that the unit is "used to express agrarian areas." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System." - The International System of Units (SI), 8th ed. (2006) completely removes the unit (but still defines the hectare). The are unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Hectare#Are" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" base-units-expression: "m^2" scale: exponent: 4 x-optimade-definition: label: "are_si_1983_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "are" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/bar.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/0000644000200400020040000000462415112031047032043 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/bar" title: "bar" symbol: "bar" display-symbol: "bar" description: |- A unit of pressure equal to 10⁵ N/m using the 1983 base SI units. The bar unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 bar = 0,1 MPa = 10⁵ Pa" with the footnote "This unit and its symbol are included in Resolution 7 of the 9th C.G.P.M. (1948)." (While the pascal unit appears in the 1st ed. as a symbol for N·s/m², it was adopted into SI at the 14th CGPM meeting in 1971.) - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System." - The International System of Units (SI), 8th ed. (2006) changes the categorization to "Other non-SI units" and updates the footnote to: "The bar and its symbol are included in Resolution 7 of the 9th CGPM (1948; CR, 70). Since 1982 one bar has been used as the standard pressure for tabulating all thermodynamic data. Prior to 1982 the standard pressure used to be the standard atmosphere, equal to 1.013 25 bar, or 101 325 Pa." - The bar is omitted in the International System of Units (SI), 9th Edition (2019) (except appearing as an example in the context of typesetting of units). The bar unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Bar_(unit)" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m^-1*s^-2" scale: exponent: 5 x-optimade-definition: label: "bar_si_1983_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "bar" ././@LongLink0000644000000000000000000000016200000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/angstrom.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/0000644000200400020040000000406515112031047032042 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/angstrom" title: "ångström" symbol: "angstrom" display-symbol: "Å" description: |- A length equal to 10⁻¹⁰ meter, with meter defined according to the 1983 SI base units. The ångström unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 Å = 0.1 nm = 10⁻¹⁰ m". - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "temporarily admitted" for use with the SI units. - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System." - The International System of Units (SI), 8th ed. (2006) changes the categorization to "Other non-SI units" and adds as a clarifying footnote "The ångström is widely used by x-ray crystallographers and structural chemists because all chemical bonds lie in the range 1 to 3 ångströms. However it has no official sanction from the CIPM or the CGPM." - The ångström is omitted in the International System of Units (SI), 9th Edition (2019). The ångström unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Angstrom" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" base-units-expression: "m" scale: exponent: -10 x-optimade-definition: label: "angstrom_si_1983_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "angstrom" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/gal.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/temporary/0000644000200400020040000000404415112031047032037 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/gal" title: "gal" symbol: "Gal" display-symbol: "Gal" description: |- A unit of acceleration equal to 1 centimeter per second squared (1 cm/s²), defined according to the 1983 SI units. The gal unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 Gal = 1 cm/s² = 10⁻² m/s²" with the footnote "The gal is a special unit of acceleration employed in geodesy and geophysics to express acceleration due to gravity." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "units in use temporarily". - The International System of Units (SI), 7th ed. (1998) changes the categorization to "derived CGS units with special names". - The International System of Units (SI), 9th ed. (2019) moves the unit definition to the margin aside the table for Non-SI units accepted for use with the SI units. It is not clear how to interpret the categorization intended with this placement of the unit. The gal unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Gal_(unit)" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "m*s^-2" scale: exponent: -2 x-optimade-definition: label: "gal_si_1983_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "gal" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/0000775000200400020040000000000015112031047031077 5ustar andriusandrius././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/weber.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/webe0000644000200400020040000000445315112031047031750 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/weber" title: "weber" symbol: "Wb" display-symbol: "Wb" description: |- A derived SI unit for magnetic flux equal to kg·m²·s⁻³·A⁻¹ in the 1983 SI units. "The weber is the magnetic induction flux that, passing through a single-turn circuit, produces an electromotive force of one volt if it is reduced to zero in one second by uniform decay." [9th CGPM meeting in 1946] The weber was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1, and again implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition at the 41st CIPM meeting (1946), resolution 2" resource-id: "https://www.bipm.org/en/committees/ci/cipm/41-1946/resolution-2" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Weber_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^-1*kg*m^2*s^-3" standard: name: "si" year: 1983 category: "named" symbol: "Wb" x-optimade-definition: label: "weber_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "weber" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/lumen.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/lume0000644000200400020040000000404715112031047031767 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/lumen" title: "lumen" symbol: "lm" display-symbol: "lm" description: |- A derived SI unit for luminous flux equal to cd·sr using the 1983 SI units. "The lumen is the luminous flux emitted in a steradian by a uniform point source with a luminous intensity of one candela." [9th CGPM meeting in 1946] The lumen was defined at the 9th CGPM meeting in 1946, implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1, the redefinition of the candela at the 16th CGPM Meeting in 1979, resolution 3, and the redefinition of the metre at the 17th CGPM Meeting in 1983, resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the candela at the 16th CGPM Meeting in 1979, resolution 3." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/16-1979/resolution-3" - relation: "Redefinition of the second in the 13th CGPM Meeting in 1967, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the metre at the 17th CGPM meeting in 1983, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Lumen_(unit)" defining-relation: base-units: - symbol: "cd" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/candela" - symbol: "sr" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/steradian" base-units-expression: "cd*sr" standard: name: "si" year: 1983 category: "named" symbol: "lm" x-optimade-definition: label: "lumen_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "lumen" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/tesla.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/tesl0000644000200400020040000000333115112031047031767 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/tesla" title: "tesla" symbol: "T" display-symbol: "T" description: |- A derived SI unit for magnetic flux density equal to kg·s⁻²·A⁻¹ in the 1983 SI units. The tesla was defined as 1 Wb/m in the introduction of the SI unit system the 11th CGPM Meeting in 1960, resolution 12, implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1, and again implicitly redefined with the redefinition of the ampere (implicitly via the redefinition of the metre) at the 17th CGPM Meeting in 1983, resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Tesla_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^-1*kg*s^-2" standard: name: "si" year: 1983 category: "named" symbol: "T" x-optimade-definition: label: "tesla_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "tesla" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/watt.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/watt0000644000200400020040000000410615112031047032000 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/watt" title: "watt" symbol: "W" display-symbol: "W" description: |- A derived SI unit for power and radiant flux equal to kg·m²·s⁻³ in the 1983 SI units. "The watt is the power that produces one joule per second." [9th CGPM meeting in 1946] The watt was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1, and again implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Watt" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m^2*s^-3" standard: name: "si" year: 1983 category: "named" symbol: "W" x-optimade-definition: label: "watt_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "watt" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/coulomb.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/coul0000644000200400020040000000346115112031047031766 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/coulomb" title: "coulomb" symbol: "C" display-symbol: "C" description: |- A derived SI unit for electric charge equal to s·A in the 1983 SI base units. "The coulomb is the amount of electricity transported in one second by a current of one ampere." [9th CGPM meeting in 1946] The coulomb was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1, and again implicitly redefined via the redefinition of the metre at the 17th CGPM Meeting in 1983, resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Coulomb" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/ampere" base-units-expression: "A*s" standard: name: "si" year: 1983 category: "named" symbol: "C" x-optimade-definition: label: "coulomb_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "coulomb" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/farad.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/fara0000644000200400020040000000423615112031047031736 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/farad" title: "farad" symbol: "F" display-symbol: "F" description: |- A derived SI unit for electrical capacitance equal to kg⁻¹·m⁻²·s⁴·A² in the 1967 SI units. "The farad is the capacitance of an electric capacitor between whose plates an electric potential difference of one volt appears when it is charged with an amount of electricity equal to one coulomb." [9th CGPM meeting in 1946] The farad was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1, and again implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Farad" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^2*kg^-1*m^-2*s^4" standard: name: "si" year: 1983 category: "named" symbol: "F" x-optimade-definition: label: "farad_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "farad" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/pascal.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/pasc0000644000200400020040000000316515112031047031753 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/pascal" title: "pascal" symbol: "Pa" display-symbol: "Pa" description: |- A derived SI unit for pressure and stress equal to kg·m⁻¹·s⁻² using the 1983 SI units. "The International Committee will ask the General Conference to approve two special names: pascal (symbol Pa) for the SI unit of pressure (N/m²), [...]" [14th CGPM Meeting (1971)]. The pascal was defined at the 14th CGPM Meeting in 1971 and implicitly redefined via the redefinition of the metre at the 17th CGPM Meeting in 1983, resolution 1. resources: - relation: "Definition at the 14th CGPM Meeting (1971)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/14-1971" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Pascal_(unit)" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m^-1*s^-2" standard: name: "si" year: 1983 category: "named" symbol: "Pa" x-optimade-definition: label: "pascal_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "pascal" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/volt.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/volt0000644000200400020040000000426515112031047032013 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/volt" title: "volt" symbol: "V" display-symbol: "V" description: |- A derived SI unit for electric potential, voltage, and electromotive force equal to kg·m²·s⁻³·A⁻¹ in the 1983 SI units. "The volt is the electric potential difference that exists between two points of a conducting wire carrying a constant current of one ampere when the power dissipated between these points is equal to one watt." [9th CGPM meeting in 1946] The volt was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1, and again redefined via the redefinition of the metre at the 17th CGPM Meeting in 1983, resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Volt" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/ampere" base-units-expression: "A^-1*kg*m^2*s^-3" standard: name: "si" year: 1983 category: "named" symbol: "V" x-optimade-definition: label: "volt_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "volt" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/joule.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/joul0000644000200400020040000000413315112031047031772 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/joule" title: "joule" symbol: "J" display-symbol: "J" description: |- A derived SI unit for energy, work, and heat equal to kg·m²·s⁻² in the 1983 SI units. "The joule is the work produced by a newton whose point of application moves one meter in the direction of the force." [9th CGPM meeting in 1946] The joule was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1, and again implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Joule" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m^2*s^-2" standard: name: "si" year: 1983 category: "named" symbol: "J" x-optimade-definition: label: "joule_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "joule" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/gray.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/gray0000644000200400020040000000305315112031047031763 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/gray" title: "gray" symbol: "Gy" display-symbol: "Gy" description: |- A derived SI unit for absorbed dose of ionizing radiation equal to m²·s⁻² using the 1983 SI units. "The 15th Conférence Générale des Poids et Mesures, [...] adopts the following special name for the SI unit of ionizing radiation: gray, symbol Gy, equal to one joule per kilogram." [15th CGPM Meeting (1975)] The gray was defined at the 15th CGPM Meeting in 1975, and implicitly redefined via the redefinition of the meter at the 17th CGPM Meeting in 1983, resolution 1. resources: - relation: "Definition at the 15th CGPM Meeting (1975)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/15-1975" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Gray_(unit)" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "m^2*s^-2" standard: name: "si" year: 1983 category: "named" symbol: "Gy" x-optimade-definition: label: "gray_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "gray" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/ohm.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/ohm.0000644000200400020040000000455415112031047031671 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/ohm" title: "ohm" symbol: "ohm" display-symbol: "Ω" description: |- A derived SI unit for electrical resistance equal to kg·m²·s⁻³·A⁻² in the 1983 SI units. "The ohm is the electrical resistance that exists between two points of a conductor when a constant potential difference of one volt, applied between these two points, produces a current of one ampere in the conductor, provided that the conductor is not the seat of any electromotive force." [9th CGPM meeting in 1946] The ohm was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1, and again implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Ohm" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^-2*kg*m^2*s^-3" standard: name: "si" year: 1983 category: "named" symbol: "ohm" x-optimade-definition: label: "ohm_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "ohm" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/newton.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/newt0000644000200400020040000000376715112031047032012 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/newton" title: "newton" symbol: "N" display-symbol: "N" description: |- The newton is a derived SI unit for force and weight equal to kg·m·s⁻² in 1983 SI units. "The newton is the force that, in one second, imparts to a mass equal to one kilogram an increase in speed of one meter per second." [9th CGPM meeting in 1946] The newton was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1, and again implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Newton_(unit)" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m*s^-2" standard: name: "si" year: 1983 category: "named" symbol: "N" x-optimade-definition: label: "newton_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "newton" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/lux.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/lux.0000644000200400020040000000432215112031047031707 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/lux" title: "lux" symbol: "lx" display-symbol: "lx" description: |- A derived SI unit for illuminance equal to cd⋅sr⋅m⁻² in 1983 SI units. "The lux is the illuminance of a surface that receives a uniformly distributed luminous flux of one lumen per square meter." [9th CGPM meeting in 1946] The lux was defined at the 9th CGPM meeting in 1946, and implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the candela at the 16th CGPM Meeting in 1979, resolution 3, and the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the candela at the 16th CGPM Meeting in 1979, resolution 3." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/16-1979/resolution-3" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Lux" defining-relation: base-units: - symbol: "cd" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/candela" - symbol: "sr" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/steradian" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" base-units-expression: "cd*m^-2*sr" standard: name: "si" year: 1983 category: "named" symbol: "lx" x-optimade-definition: label: "lux_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "lux" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/sievert.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/siev0000644000200400020040000000321215112031047031764 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/sievert" title: "sievert" symbol: "Sv" display-symbol: "Sv" description: |- A derived SI unit for equivalent dose of ionizing radiation equal to m²·s⁻² using the 1983 SI base units. "The 16th Conférence Générale des Poids et Mesures, [...] adopts the special name sievert, symbol Sv, for the SI unit of dose equivalent in the field of radioprotection. The sievert is equal to the joule per kilogram." [16th CGPM meeting (1979), resolution 5] The sievert was defined at the 16th CGPM meeting in 1979 and implicitly redefined via the redefinition of the meter at the 17th CGPM Meeting in 1983, resolution 1. resources: - relation: "Definition at the 16th CGPM meeting (1979), resolution 5" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/16-1979/resolution-5" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Sievert" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "m^2*s^-2" standard: name: "si" year: 1983 category: "named" symbol: "Sv" x-optimade-definition: label: "sievert_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "sievert" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/henry.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/henr0000644000200400020040000000424115112031047031755 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/henry" title: "henry" symbol: "H" display-symbol: "H" description: |- A derived SI unit for inductance equal to kg·m²·s⁻²·A⁻² in the 1983 SI units. "The henry is the inductance of a closed circuit in which an electromotive force of one volt is produced when the electric current passing through the circuit varies uniformly at a rate of one ampere per second." [9th CGPM meeting in 1946] The henry was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1, and again implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second at the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Henry_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^-2*kg*m^2*s^-2" standard: name: "si" year: 1983 category: "named" symbol: "H" x-optimade-definition: label: "henry_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "henry" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/siemens.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/named/siem0000644000200400020040000000336115112031047031760 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/siemens" title: "siemens" symbol: "S" display-symbol: "S" description: |- A derived SI unit for electrical conductance equal to kg⁻¹·m⁻²·s³·A² using the 1983 SI base units. "The International Committee will ask the General Conference to approve two special names: [...] siemens (symbol S) for the SI unit of conductance (Ω⁻¹)." [14th CGPM Meeting (1971)]. The siemens was defined at the 14th CGPM Meeting in 1971 and implicitly redefined via the redefinition of the meter at the 17th CGPM Meeting in 1983, resolution 1. resources: - relation: "Definition at the 14th CGPM Meeting (1971)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/14-1971" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Siemens_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^2*kg^-1*m^-2*s^3" standard: name: "si" year: 1983 category: "named" symbol: "S" x-optimade-definition: label: "siemens_si_1983_named" kind: "unit" format: "1.2" version: "1.2.0" name: "siemens" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/accepted/0000775000200400020040000000000015112031047031563 5ustar andriusandrius././@LongLink0000644000000000000000000000015600000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/accepted/litre.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/accepted/l0000644000200400020040000000305415112031047031741 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/accepted/litre" title: "litre" symbol: "l" display-symbol: "l" alternate-symbols: - "L" - "liter" description: |- The litre, or liter is a unit of volume equal to a cubic decimetre (1 dm³) implicitly redefined via the redefinition of the meter at the 17th CGPM Meeting in 1983, resolution 1. "The 12th Conférence Générale des Poids et Mesures (CGPM) [...] declares that the word 'litre' may be employed as a special name for the cubic decimetre" [12th CGPM meeting (1964), resolution 6]. The litre was defined at the 12th CGPM meeting in 1964, resolution 6, and implicitly redefined with the redefinition of the metre at the 17th CGPM Meeting in 1983, resolution 1. resources: - relation: "Definition at the 12th CGPM meeting (1964), resolution 6" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/12-1964/resolution-6" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Litre" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" base-units-expression: "m^3" scale: exponent: -3 x-optimade-definition: label: "litre_si_1983_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "litre" ././@LongLink0000644000000000000000000000016500000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/accepted/electronvolt.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1983/accepted/e0000644000200400020040000000557515112031047031744 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/accepted/electronvolt" title: "electron volt" symbol: "eV" display-symbol: "eV" description: |- A unit of energy equal to the amount of kinetic energy acquired by an electron as it accelerates through a 1 volt potential difference in a vacuum using the 1967 SI units. The electronvolt unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 electronvolt is the energy acquired by an electron after traversing a potential difference of 1 V in a vacuum; 1 eV = 1.60219×10⁻¹⁹ J approximately." The definition makes the unit equal to 1 volt times the experimentally determined value of the elementary charge. Later editions update the approximate relation to use the respectively recommended value by CODATA at the time. In the 1983 redefinition of the electron volt, the volt refers to the 1983 volt derived named SI unit (https://schemas.optimade.org/defs/v1.2/units/si/1983/named/volt). - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units for use with the SI in specific domains." - The International System of Units (SI), 2nd ed. (1973) categorizes the unit as "Non-SI units accepted for use with the International System, whose values in SI units are obtained experimentally." Following the redefinitions of the SI units 2019, the electronvolt has an exact relationship to the joule, hence the International System of Units (SI), 9th ed. (2019) notes "1 eV = 1.602176634·10⁻¹⁹ J" and categorizes the unit as "Non-SI units accepted for use with the SI units". The footnote is also rephrased to say: "The electron volt is the kinetic energy acquired by an electron after traversing a potential difference of 1 V in a vacuum. The electronvolt is often combined with the SI prefixes." The electron volt unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Electronvolt" approximate-relations: - base-units: - symbol: "V" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/volt" - symbol: "e" id: "https://schemas.optimade.org/defs/v1.2/constants/codata/2018/electromagnetic/elementarycharge" base-units-expression: "e*V" x-optimade-definition: label: "electronvolt_si_1983_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "electronvolt" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/0000775000200400020040000000000015112031047031024 5ustar andriusandrius././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/degree.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/degree.0000644000200400020040000000551415112031047032263 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/degree" title: "degree" symbol: "degree" display-symbol: "°" description: |- A unit of plane and phase angle representing 1/360 of a full circle, equal to π/180 rad using the current, or one of the historical, definitions of the SI units. With the current definition of raidan in the SI system, the degree is equal to 1/360 of a circle. The degree unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1° = (pi/180) rad". - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use with the International System." - The International System of Units (SI), 7th ed. (1998) adds as a footnote: "ISO 31 recommends that the degree be subdivided decimally rather than using the minute and second." - The International System of Units (SI), 8th ed. (2006) further adds to that footnote: "For navigation and surveying, however, the minute has the advantage that one minute of latitude on the surface of the Earth corresponds (approximately) to one nautical mile." - The International System of Units (SI), 9th ed. (2019) replaces the footnote with: "For some applications such as in astronomy, small angles are measured in arcseconds (i.e. seconds of plane angle), denoted as or ′′, or milliarcseconds, microarcseconds and picoarcseconds, denoted mas, μas and pas, respectively, where arcsecond is an alternative name for second of plane angle." The formulation "denoted as or ″" is reproduced here faithfully from the source and suggests an alternate symbol may have been omitted due to a typographical error. It is not clear what alternate symbol was intended to be referenced. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/degree" resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Degree_(angle)" defining-relation: base-units: - symbol: "pi" id: "https://schemas.optimade.org/defs/v1.2/constants/math/basic/pi" - symbol: "rad" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/radian" base-units-expression: "pi*rad" scale: denominator: 180 x-optimade-definition: label: "degree_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "degree" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/litre.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/litre.y0000644000200400020040000000372015112031047032335 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/litre" title: "litre" symbol: "l" display-symbol: "l" alternate-symbols: - "L" - "liter" description: |- The litre, or liter is a unit of volume equal to a cubic decimetre (1 dm³) using the current, or one of the historical, definitions of the SI units. "The 12th Conférence Générale des Poids et Mesures (CGPM) [...] declares that the word 'litre' may be employed as a special name for the cubic decimetre" [12th CGPM meeting (1964), resolution 6]. The litre was defined at the 12th CGPM meeting in 1964, resolution 6, and implicitly redefined with the redefinition of the metre at the 17th CGPM Meeting in 1983, resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1964/accepted/litre" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/accepted/litre" resources: - relation: "Definition at the 12th CGPM meeting (1964), resolution 6" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/12-1964/resolution-6" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Litre" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" base-units-expression: "m^3" scale: exponent: -3 x-optimade-definition: label: "litre_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "litre" ././@LongLink0000644000000000000000000000014600000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/day.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/day.yam0000644000200400020040000000325715112031047032316 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/day" title: "day" symbol: "day" display-symbol: "day" alternate-symbols: - "d" description: |- A unit of time equal to 86 400 seconds using the current, or one of the historical, definitions of the SI units. The day unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 d = 24 h = 86400 s". - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Non-SI units accepted for use with the International System." This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/day" resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Day" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "s" scale: numerator: 86400 x-optimade-definition: label: "day_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "day" ././@LongLink0000644000000000000000000000016100000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/atomicmassunit.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/atomicm0000644000200400020040000000672715112031047032412 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/atomicmassunit" title: "atomic mass unit" symbol: "u" display-symbol: "u" alternate-symbols: - "dalton" - "Da" description: |- A unit of mass representing 1/12 of the mass of a free carbon 12 atom (i.e., a typical value of the mass of a nucleon in an atom) using the current, or one of the historical, definitions given in the editions of the International System of Units (SI). The International System of Units (SI), 1st ed. (1970) defines the atomic mass unit in the section "Units used with the International System" (known as "Non-SI units accepted for use with the SI units" in later editions). The unit is defined in a footnote as: "The atomic mass unit (unified) is equal to 1/12 of the mass of an atom of the nuclide ¹²C; 1 u = 1.66053 x 10⁻²⁷ kg approximately." The definition is retained in the International System of Units up to the 7th edition (1998), where the conditions are slightly clarified and dalton (Da) is introduced as an alternative name: "The unified atomic mass unit is equal to 1/12 of the mass of an unbound atom of the nuclide ¹²C, at rest, and in its ground state. In the field of biochemistry, the unified atomic mass unit is also called the dalton, symbol Da." In the 8th ed. (2006) the definition is slightly adjusted, replacing "unbound" with "free": "The dalton (Da) and the unified atomic mass unit (u) are alternative names (and symbols) for the same unit, equal to 1/12 times the mass of a free carbon 12 atom, at rest and in its ground state." All editions of the International System of Units note approximate relationships to the kilogram. The 9th ed. states "1 Da = 1.660 539 066 60(50)×10⁻²⁷ kg", where the 2018 CODATA value has been used and the 2019 SI kilogram is referenced (https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram). In the 2019 redefinition of the SI units, the atomic mass unit is the only unit listed as accepted for use with SI that has a value in SI units which is determined experimentally. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/atomicmassunit" - "https://schemas.optimade.org/defs/v1.2/units/si/1998/accepted/dalton" - "https://schemas.optimade.org/defs/v1.2/units/si/general/dalton" resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Dalton_(unit)" - relation: "CODATA unified atomic mass unit fundamental physical constant: source for relationship to kg" resource-id: "https://physics.nist.gov/cgi-bin/cuu/Value?ukg" approximate-relations: - base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" base-units-expression: "kg" scale: value: 1.66053906660E-27 standard_uncertainty: 0.00000000050E-27 x-optimade-definition: label: "atomicmassunit_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "atomicmassunit" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/weber.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/weber.y0000644000200400020040000000523215112031047032322 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/weber" title: "weber" symbol: "Wb" display-symbol: "Wb" description: |- A unit for magnetic flux equal to kg·m²·s⁻³·A⁻¹ using the current, or one of the historical, definitions of the SI units. "The weber is the magnetic induction flux that, passing through a single-turn circuit, produces an electromotive force of one volt if it is reduced to zero in one second by uniform decay." [9th CGPM meeting in 1946] The weber was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1; the metre at the 17th CGPM meeting (1983), resolution 1; and the kilogram at the 26th CGPM Meeting (2018), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/weber" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/weber" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/weber" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/weber" resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the kilogram in the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Weber_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "A^-1*kg*m^2*s^-3" x-optimade-definition: label: "weber_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "weber" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/lumen.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/lumen.y0000644000200400020040000000560615112031047032343 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/lumen" title: "lumen" symbol: "lm" display-symbol: "lm" description: |- A derived SI unit for luminous flux equal to cd·sr using the current, or one of the historical, definitions of the SI units. "The lumen is the luminous flux emitted in a steradian by a uniform point source with a luminous intensity of one candela." [9th CGPM meeting in 1946] The lumen was defined at the 9th CGPM meeting in 1946, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the candela at the 16th CGPM Meeting in 1979, resolution 3, the metre at the 17th CGPM Meeting in 1983, resolution 1, and the candela (implicitly redefined via the kilogram) at the 26th CGPM Meeting (2018), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/lumen" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/lumen" - "https://schemas.optimade.org/defs/v1.2/units/si/1979/named/lumen" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/lumen" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/lumen" resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the candela at the 16th CGPM Meeting in 1979, resolution 3." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/16-1979/resolution-3" - relation: "Redefinition of the second in the 13th CGPM Meeting in 1967, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the metre at the 17th CGPM meeting in 1983, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Lumen_(unit)" defining-relation: base-units: - symbol: "cd" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/candela" - symbol: "sr" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/steradian" base-units-expression: "cd*sr" x-optimade-definition: label: "lumen_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "lumen" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/curie.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/curie.y0000644000200400020040000000431015112031047032321 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/curie" title: "curie" symbol: "Ci" display-symbol: "Ci" description: |- A unit of activity with the value 3.7·10⁻¹⁰ s⁻¹ using the current, or one of the historical, definitions of the SI units. Defined as outside the SI at the 12th CGPM meeting in 1964, resolution 7. Implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units". - The curie is omitted in the International System of Units (SI), 8th Edition (2006). This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1964/temporary/curie" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/temporary/curie" resources: - relation: "Definition at the 12th CGPM meeting (1964), resolution 3" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/12-1964/resolution-3" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Le Système International d'Unités (SI) (1970)" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Curie_(unit)" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "s^-1" scale: numerator: 37 exponent: -11 x-optimade-definition: label: "curie_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "curie" ././@LongLink0000644000000000000000000000016000000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/radiationunit.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/radiati0000644000200400020040000000570315112031047032367 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/radiationunit" title: "radiation unit" symbol: "radiationunit" display-symbol: "rad" description: |- A unit used to express the absorbed dose of ionizing radiation defined as 10⁻² J/kg using the current, or one of the historical, definitions of the SI units. This unit definition uses "radiationunit" as the symbol for this unit despite "rad" being in common use, to distinguish it from the radian, which is an SI unit with rad as its symbol. The radiation unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 rad = 10⁻² J/kg" with the footnote: "The rad is a special unit employed to express absorbed dose of ionizing radiation. When there is risk of confusion with the symbol for radian, rd may be used as the symbol for rad." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 3rd ed. (1977) changes the definition to use the unit gray: "1 rad = cGy = 10⁻² Gy." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Examples of other non-SI units" and adds the additional footnote: "Note that this non-SI unit is exactly equivalent to an SI unit with an appropriate submultiple prefix." - The International System of Units (SI), 8th ed. (2006) omits the unit. The roentgen unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/radiationunit" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/radiationunit" resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Rad_(radiation_unit)" defining-relation: base-units: - symbol: "J" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/joule" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" base-units-expression: "J*kg^-1" scale: exponent: -2 x-optimade-definition: label: "radiationunit_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "radiationunit" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/kelvin.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/kelvin.0000644000200400020040000000466615112031047032327 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kelvin" title: "kelvin" symbol: "K" display-symbol: "K" description: |- A unit of thermodynamic temperature using the current, or one of the historical, definitions of the SI units. The current definition at the 26th CGPM Meeting in 2018, resolution 1 is: "The kelvin, symbol K, is the SI unit of thermodynamic temperature. It is defined by taking the fixed numerical value of the Boltzmann constant k to be 1.380649×10⁻²³ when expressed in the unit J⋅K⁻¹, which is equal to kg⋅m²⋅s⁻²⋅K⁻¹, where the kilogram, metre and second are defined in terms of \(h\), \(c\) and \(\Delta \nu_\textrm{Cs}\)." [26th CGPM Meeting (2018), resolution 1]. The prior definition at the 13th CGPM Meeting in 1967, resolution 4, was: "The kelvin, unit of thermodynamic temperature, is the fraction 1/273.16 of the thermodynamic temperature of the triple point of water." This definition changed the symbol and rephrased the definition of the unit "degree Kelvin" from the 10th CGPM meeting in 1954: "The 10th Conférence Générale des Poids et Mesures decides to define the thermodynamic temperature scale by choosing the triple point of water as the fundamental fixed point, and assigning to it the temperature 273.16 degrees Kelvin, exactly." This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/kelvin" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kelvin" - "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/degreekelvin" resources: - relation: "Definition in the 26th CGPM Meeting in 2018, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Kelvin" x-optimade-definition: label: "kelvin_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "kelvin" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/second.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/second.0000644000200400020040000000446615112031047032310 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" title: "second" symbol: "s" display-symbol: "s" description: |- A unit of time using the current, or one of the historical, definitions of the SI units. The current definition in its most recent phrasing at the 26th CGPM Meeting in 2018, resolution 1 is: "The second, symbol s, is the SI unit of time. It is defined by taking the fixed numerical value of the caesium frequency, \(\Delta \nu_\textrm{Cs}\), the unperturbed ground-state hyperfine transition frequency of the caesium 133 atom, to be 9192631770 when expressed in the unit Hz, which is equal to s⁻¹." This is a rephrasing of a definition at the 13th CGPM Meeting (1967), resolution 1: "The second is the duration of 9192631770 periods of the radiation corresponding to the transition between the two hyperfine levels of the ground state of the caesium 133 atom." The earlier definition at the 11th CGPM Meeting in 1960, resolution 9 was: "The second is the fraction 1/31556925.9747 of the tropical year for 1900 January 0 at 12 hours ephemeris time." This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" resources: - relation: "Definition in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Rephrased definition in the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Definition at the 11th CGPM meeting (1960), resolution 6." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-6" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Second" x-optimade-definition: label: "second_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "second" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/tonne.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/tonne.y0000644000200400020040000000421715112031047032343 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/tonne" title: "tonne" symbol: "t" display-symbol: "t" alternate-symbols: - "t" description: |- A unit of mass equal to 1000 kg using the current, or one of the historical, definitions of the SI units. The International System of Units (SI), 1st ed. (1970) defines the tonne as "1 t = 10³ kg" with the footnote "The symbol and the unit was defined in resolution 7 at the 9th meeting of the C.G.P.M. (1948)." In the 2019 implicit redefinition of the tonne, the kilogram in the definition refers to the 2019 kilogram SI base unit (https://schema.optimade.org/units/si/2019/named/kilogram). - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units used with the International System" - The International System of Units (SI), 3rd ed. (19) changes the reference of the definition to the 1879 meeting of the CIPM page 41. - The International System of Units (SI), 6th ed. (1991) further adds "In some English-speaking countries this unit is called ≪metric ton≫." This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/tonne" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/accepted/tonne" resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Tonne" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" base-units-expression: "kg" scale: exponent: 3 x-optimade-definition: label: "tonne_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "tonne" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/candela.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/candela0000644000200400020040000000603715112031047032342 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/candela" title: "candela" symbol: "cd" display-symbol: "cd" description: |- A unit of luminous intensity in a given direction defined according to the current, or one of the historical, definitions of the SI units. The current definition in its most recent phrasing at the 26th CGPM Meeting in 2018, resolution 1 is: "The candela, symbol cd, is the SI unit of luminous intensity in a given direction. It is defined by taking the fixed numerical value of the luminous efficacy of monochromatic radiation of frequency 540×10¹² Hz, \(K_\mathrm{cd}\), to be 683 when expressed in the unit lm⋅W⁻¹, which is equal to cd⋅sr⋅W⁻¹, or cd⋅sr⋅kg⁻¹⋅m⁻²⋅s³, where the kilogram, metre and second are defined in terms of \(h\), \(c\) and \(\Delta \nu_\textrm{Cs}\)." This is a rephrasing of a definition at the 16th CGPM Meeting (1979), resolution 3: "The candela is the luminous intensity, in a given direction, of a source that emits monochromatic radiation of frequency 540×10¹² hertz and that has a radiant intensity in that direction of 1/683 watt per steradian." Earlier different definitions of the candela were: - "The candela is the luminous intensity, in a given direction, of a source that emits monochromatic radiation of frequency 540×10¹² hertz and that has a radiant intensity in that direction of 1/683 watt per steradian." [16th CGPM Meeting (1979), resolution 3]. - "The candela is the sixtieth of the luminous intensity emitted perpendicularly by one square centimeter of a perfect radiator (black body) at the solidification temperature of platinum." [9th CGPM meeting (1948)] (this definition was adopted into the SI system at the 11th CGPM Meeting in 1960, resolution 12). This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/candela" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/candela" - "https://schemas.optimade.org/defs/v1.2/units/si/1979/base/candela" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/candela" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/candela" resources: - relation: "Definition in the 26th CGPM Meeting in 2018, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Candela" x-optimade-definition: label: "candela_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "candela" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/arcminute.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/arcminu0000644000200400020040000000652315112031047032411 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/arcminute" title: "arcminute" symbol: "arcmin" display-symbol: "′" alternate-symbols: - "minute of arc" - "minute of angle" - "MOA" - "'" description: |- A unit of plane and phase angle equal to 1/60 of a degree representing 1/21600 of a circle, equal to π/10800 rad, using the current, or one of the historical, definitions of the SI units. This definition uses "arcminute" as the unit name to distinguish it from the time unit named minute. A footnote in the International System of Units, 9th ed. (2019) note that "arcsecond is an alternative name for second of plane angle". However, "arcminute" and "arcmin" have so far not been mentioned in any of the editions of the International System of Units. They are defined in the GNU Units 3.15 unit database as 1/60 degree. The unit appear under the name minute (with symbol ′) in the International System of Units (SI), 1st ed. (1970) defined as "1′ = (1/60)° = (π/10800) rad". - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use with the International System." - The International System of Units (SI), 7th ed. (1998) adds as a footnote: "ISO 31 recommends that the degree be subdivided decimally rather than using the minute and second." - The International System of Units (SI), 8th ed. (2006) further adds to that footnote: "For navigation and surveying, however, the minute has the advantage that one minute of latitude on the surface of the Earth corresponds (approximately) to one nautical mile." - The International System of Units (SI), 9th ed. (2019) replaces the footnote with: "For some applications such as in astronomy, small angles are measured in arcseconds (i.e. seconds of plane angle), denoted as or ′′, or milliarcseconds, microarcseconds and picoarcseconds, denoted mas, μas and pas, respectively, where arcsecond is an alternative name for second of plane angle." The formulation "denoted as or ″" is reproduced here faithfully from the source and suggests an alternate symbol may have been omitted due to a typographical error. It is not clear what alternate symbol was intended to be referenced. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/arcminute" resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Minute_and_second_of_arc" defining-relation: base-units: - symbol: "pi" id: "https://schemas.optimade.org/defs/v1.2/constants/math/basic/pi" - symbol: "rad" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/radian" base-units-expression: "pi*rad" scale: denominator: 10800 x-optimade-definition: label: "arcminute_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "arcminute" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/atmosphere.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/atmosph0000644000200400020040000000564015112031047032425 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/atmosphere" title: "standard atmosphere" symbol: "atm" display-symbol: "atm" description: |- A unit for pressure approximately equal to the average atmospheric pressure at sea level on Earth using the current, or one of the historical, definitions of the SI units. The standard atmosphere unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 atm = 101325 Pa" with the footnote "Resolution 4 at the 10th C.G.P.M. (1954)." (While the pascal unit appears in the 1st ed. as a symbol for N·s/m², it was adopted into SI at the 14th CGPM meeting in 1971.) - In the International System of Units (SI), 1st ed. (1970) it is categorized as "temporarily admitted" for use with the SI units. - The International System of Units (SI), 4th ed. (1981) changes the categorization to "Other units generally deprecated" and adds to the footnote that: "The designation "standard atmosphere" for a reference pressure of 101 325 Pa is still acceptable." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Examples of other non-SI units." - The International System of Units (SI), 8th ed. (2006) omits the unit, but uses the term in a footnote to the definition of the unit bar to clarify that prior to 1982 the standard pressure used to tabulate thermodynamical data was the standard atmosphere. - The International System of Units (SI), 9th ed. (2006) no longer references the unit or the designation "standard atmosphere". This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/atmosphere" resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Definition of pascal at the 14th CGPM Meeting (1971)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/14-1971" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Standard_atmosphere_(unit)" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "kg*m^-1*s^-2" scale: numerator: 101325 x-optimade-definition: label: "atmosphere_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "atmosphere" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/tesla.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/tesla.y0000644000200400020040000000473015112031047032330 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/tesla" title: "tesla" symbol: "T" display-symbol: "T" description: |- A unit for magnetic flux density equal to kg·s⁻²·A⁻¹ using the current, or one of the historical, definitions of the SI units. The tesla was defined as 1 Wb/m in the introduction of the SI unit system the 11th CGPM Meeting in 1960, resolution 12, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the ampere (implicitly via the redefinition of the metre) at the 17th CGPM Meeting in 1983, resolution 1, and the kilogram and ampere at the 26th CGPM Meeting (2018), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/tesla" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/tesla" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/tesla" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/tesla" resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the kilogram and the ampere at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Tesla_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "A^-1*kg*s^-2" x-optimade-definition: label: "tesla_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "tesla" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/roentgen.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/roentge0000644000200400020040000000507315112031047032415 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/roentgen" title: "roentgen" symbol: "R" display-symbol: "R" description: |- A unit used to express the exposure of ionizing radiation defined as 2.58 x 10⁻⁴ C/kg using the current, or one of the historical, definitions of the SI units. The roentgen unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 R = 2.58 x 10⁻⁴ C/kg" with the footnote: "The roentgen is a special unit used to express the ionization exposure of ionizing radiation." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 2nd ed. (1973) rephrases the footnote to: "The roentgen is a special unit used to express the exposure of X or gamma radiation." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Examples of other non-SI units". - The International System of Units (SI), 8th ed. (2006) omits the unit. The roentgen unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/roentgen" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/roentgen" resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Roentgen_(unit)" defining-relation: base-units: - symbol: "C" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/coulomb" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" base-units-expression: "C*kg^-1" scale: numerator: 258 exponent: -6 x-optimade-definition: label: "roentgen_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "roentgen" ././@LongLink0000644000000000000000000000014700000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/watt.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/watt.ya0000644000200400020040000000517215112031047032341 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/watt" title: "watt" symbol: "W" display-symbol: "W" description: |- A unit for power and radiant flux equal to kg·m²·s⁻³ using the current, or one of the historical, definitions of the SI units. "The watt is the power that produces one joule per second." [9th CGPM meeting in 1946] The watt was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1; the metre at the 17th CGPM meeting (1983), resolution 1; and the kilogram at the 26th CGPM Meeting (2018), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/watt" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/watt" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/watt" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/watt" resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Watt" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "kg*m^2*s^-3" x-optimade-definition: label: "watt_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "watt" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/coulomb.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/coulomb0000644000200400020040000000503315112031047032406 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/coulomb" title: "coulomb" symbol: "C" display-symbol: "C" description: |- A unit for electric charge equal to s·A using the current, or one of the historical, definitions of the SI units. "The coulomb is the amount of electricity transported in one second by a current of one ampere." [9th CGPM meeting in 1946] The coulomb was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1; the metre at the 17th CGPM meeting (1983), resolution 1; and the kilogram at the 26th CGPM Meeting (2018), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/coulomb" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/coulomb" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/coulomb" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/coulomb" resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the kilogram in the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Coulomb" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/ampere" base-units-expression: "A*s" x-optimade-definition: label: "coulomb_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "coulomb" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/farad.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/farad.y0000644000200400020040000000531515112031047032275 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/farad" title: "farad" symbol: "F" display-symbol: "F" description: |- A unit for electrical capacitance equal to kg⁻¹·m⁻²·s⁴·A² using the current, or one of the historical, definitions of the SI units. "The farad is the capacitance of an electric capacitor between whose plates an electric potential difference of one volt appears when it is charged with an amount of electricity equal to one coulomb." [9th CGPM meeting in 1946] The farad was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, and the redefinitions of the ampere and kilogram at the 26th CGPM Meeting in 2018, resolution 1 This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/farad" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/farad" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/farad" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/farad" resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the kilogram and ampere in the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Farad" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "A^2*kg^-1*m^-2*s^4" x-optimade-definition: label: "farad_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "farad" ././@LongLink0000644000000000000000000000014600000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/rem.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/rem.yam0000644000200400020040000000360615112031047032322 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/rem" title: "roentgen equivalent man" symbol: "rem" display-symbol: "rem" description: |- The "roentgen equivalent man" (rem) is a unit used in radioprotection meant to represent a dose of any ionizing radiation comparable in effect to one roentgen of high-voltage x-radiation, taken to be equal to 10⁻² Sv using the current, or one of the historical, definitions of the SI units. The rem unit appears in the International System of Units (SI), 4th ed. (1981) defined as "1 rem = 1 cSv = 10⁻² Sv" with the footnote: "The rem is a special unit used in radioprotection to express the equivalent dose." This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1981/temporary/rem" resources: - relation: "Definition in the International System of Units (SI), 4th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Roentgen_equivalent_man" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "kg*m^2*s^-2" scale: exponent: -2 x-optimade-definition: label: "rem_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "rem" ././@LongLink0000644000000000000000000000016300000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/astronomicalunit.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/astrono0000644000200400020040000001177215112031047032442 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/astronomicalunit" title: "astronomical unit" symbol: "au" display-symbol: "au" description: |- A unit of length representing the mean distance between the Earth and the Sun, using the current, or one of the historical, definitions given in the editions of the International System of Units (SI). The current definition in the International System of Units (SI), 9th ed. (2019) is: "1 au = 149 597 870 700 m" with the footnote "As decided at the XXVIII General Assembly of the International Astronomical Union (Resolution B2, 2012)." The prior definition in the International System of Units (SI), 1st ed. (1970) appears in a footnote: "The astronomical unit of distance is the length of the unperturbed circular orbit about the Sun of a body of infinitesimal mass in motion around the Sun with an angular sidereal velocity of 0.017202098950 radians per ephemeris day of 86,400 seconds. In the System of Astronomical Constants of the International Astronomical Union, the adopted value is: 1 AU = 149,600 x 10⁶ m." This definition interprets the definition to be the expression in radians and seconds, with the meter value regarded only as an approximation. - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units for use with the SI in specific domains." - The International System of Units (SI), 2nd ed. (1973) categorizes the unit as "Non-SI units accepted for use with the International System, whose values in SI units are obtained experimentally" and prefixes the footnote with: "This unit does not have an international symbol; abbreviations are used, for example, UA in French, AU in English, AG in German, а.е. in Russian, etc." - The International System of Units (SI), 4th ed. (1981) omits the unit. - The International System of Units (SI), 7th ed. (1998) reintroduces the unit in the category "Non-SI units accepted for use with the International System, whose values in SI units are obtained experimentally." with the experimental relationship "1 au = 1.49597870691(30)×10¹¹ m" with the footnote: "The astronomical unit is a unit of length approximatively equal to the mean Earth-Sun distance. Its value is such that, when used to describe the motion of bodies in the Solar System, the heliocentric gravitational constant is (0.01720209895)² ua³⋅d⁻²." - The International System of Units (SI), 8th ed. (2006) notes the experimental relationship "1 au = 1.49597870691(6)×10¹¹ m" and changes the footnote to: "The astronomical unit is approximately equal to the mean Earth-Sun distance. It is the radius of an unperturbed circular Newtonian orbit about the Sun of a particle having infinitesimal mass, moving with a mean motion of 0.01720209895 radians per day (known as the Gaussian constant). The value given for the astronomical unit is quoted from the IERS Conventions 2003 (D.D. McCarthy and G. Petit eds., IERS Technical Note 32, Frankfurt am Main: Verlag des Bundesamts für Kartographie und Geodäsie, 2004, 12). The value of the astronomical unit in metres comes from the JPL ephemerides DE403 (Standish E.M., Report of the IAU WGAS Sub-Group on Numerical Standards, Highlights of Astronomy, Appenzeller ed., Dordrecht: Kluwer Academic Publishers, 1995, 180-184)." - The International System of Units (SI), 9th ed. (2019) categorizes the astronomical unit as a "non-SI unit accepted for use with the SI units" and redefines it to have an exact relationship to the meter with the footnote: "As decided at the XXVIII General Assembly of the International Astronomical Union (Resolution B2, 2012)." This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/astronomicalunit" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/accepted/astronomicalunit" resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Astronomical_unit" $comment: |- While the approximate relation given is exact in the current definition of the SI system, this unit definition is a generalized definition that may also reference prior definitions of the astronomical unit, for which this relationship is only approximate. approximate-relations: - base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" base-units-expression: "m" scale: value: 149597870700 x-optimade-definition: label: "astronomicalunit_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "astronomicalunit" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/pascal.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/pascal.0000644000200400020040000000451215112031047032270 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/pascal" title: "pascal" symbol: "Pa" display-symbol: "Pa" description: |- A unit for pressure and stress equal to kg·m⁻¹·s⁻² using the current, or one of the historical, definitions of the SI units. "The International Committee will ask the General Conference to approve two special names: pascal (symbol Pa) for the SI unit of pressure (N/m²), [...]" [14th CGPM Meeting (1971)]. The pascal was defined at the 14th CGPM Meeting in 1971 and implicitly redefined via the redefinitions of the metre at the 17th CGPM Meeting in 1983, resolution 1, and the kilogram at the 26th CGPM Meeting (2018), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1971/named/pascal" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/pascal" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/pascal" resources: - relation: "Definition at the 14th CGPM Meeting (1971)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/14-1971" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Pascal_(unit)" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "kg*m^-1*s^-2" x-optimade-definition: label: "pascal_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "pascal" ././@LongLink0000644000000000000000000000014700000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/volt.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/volt.ya0000644000200400020040000000564015112031047032346 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/volt" title: "volt" symbol: "V" display-symbol: "V" description: |- A unit for electric potential, voltage, and electromotive force equal to kg·m²·s⁻³·A⁻¹ using the current, or one of the historical, definitions of the SI units. "The volt is the electric potential difference that exists between two points of a conducting wire carrying a constant current of one ampere when the power dissipated between these points is equal to one watt." [9th CGPM meeting in 1946] The volt was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the metre at the 17th CGPM Meeting in 1983, resolution 1, and the kilogram at the 26th CGPM Meeting (2018), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/volt" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/volt" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/volt" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/volt" resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Volt" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/ampere" base-units-expression: "A^-1*kg*m^2*s^-3" x-optimade-definition: label: "volt_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "volt" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/joule.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/joule.y0000644000200400020040000000551415112031047032337 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/joule" title: "joule" symbol: "J" display-symbol: "J" description: |- A derived SI unit for energy, work, and heat equal to kg·m²·s⁻² using the current, or one of the historical, definitions of the SI units. "The joule is the work produced by a newton whose point of application moves one meter in the direction of the force." [9th CGPM meeting in 1946] The joule was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the metre at the 17th CGPM meeting (1983), resolution 1, and the kilogram at the 26th CGPM Meeting (2018), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/joule" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/joule" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/joule" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/joule" resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Joule" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "kg*m^2*s^-2" x-optimade-definition: label: "joule_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "joule" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/kilogram.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/kilogra0000644000200400020040000000373415112031047032404 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" title: "kilogram" symbol: "kg" display-symbol: "kg" description: |- A unit of mass using the current, or one of the historical, definitions of the SI units. The current definition at the 26th CGPM Meeting in 2018, resolution 1 is: "The kilogram, symbol kg, is the SI unit of mass. It is defined by taking the fixed numerical value of the Planck constant \(h\) to be 6.62607015×10⁻³⁴ when expressed in the unit J⋅s, which is equal to kg⋅m²⋅s⁻¹, where the metre and the second are defined in terms of \(c\) and \(\Delta \nu_\textrm{Cs}\)." The prior definition at the 1st CGPM Meeting (1889) was: "The prototype of the kilogram adopted by the International Committee; This prototype will henceforth be considered as the unit of mass;", referring to the international prototype of the kilogram made of platinum-iridium. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" resources: - relation: "Definition in the 26th CGPM Meeting in 2018, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Kilogram" x-optimade-definition: label: "kilogram_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "kilogram" ././@LongLink0000644000000000000000000000014700000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/gray.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/gray.ya0000644000200400020040000000370715112031047032326 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/gray" title: "gray" symbol: "Gy" display-symbol: "Gy" description: |- A unit for absorbed dose of ionizing radiation equal to m²·s⁻² using the current, or one of the historical, definitions of the SI units. "The 15th Conférence Générale des Poids et Mesures, [...] adopts the following special name for the SI unit of ionizing radiation: gray, symbol Gy, equal to one joule per kilogram." [15th CGPM Meeting (1975)] The gray was defined at the 15th CGPM Meeting in 1975, and implicitly redefined via the redefinition of the meter at the 17th CGPM Meeting in 1983, resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1975/named/gray" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/gray" resources: - relation: "Definition at the 15th CGPM Meeting (1975)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/15-1975" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Gray_(unit)" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "m^2*s^-2" x-optimade-definition: label: "gray_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "gray" ././@LongLink0000644000000000000000000000014600000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/ohm.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/ohm.yam0000644000200400020040000000614015112031047032316 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/ohm" title: "ohm" symbol: "ohm" display-symbol: "Ω" description: |- A unit for electrical resistance equal to kg·m²·s⁻³·A⁻² using the current, or one of the historical, definitions of the SI units. "The ohm is the electrical resistance that exists between two points of a conductor when a constant potential difference of one volt, applied between these two points, produces a current of one ampere in the conductor, provided that the conductor is not the seat of any electromotive force." [9th CGPM meeting in 1946] The ohm was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the metre at the 17th CGPM meeting (1983), resolution 1, and the kilogram and ampere at the 26th CGPM Meeting (2018), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/ohm" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/ohm" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/ohm" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/ohm" resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the kilogram and the ampere at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Ohm" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "A^-2*kg*m^2*s^-3" x-optimade-definition: label: "ohm_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "ohm" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/degcelsius.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/degcels0000644000200400020040000000461015112031047032354 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/degcelsius" title: "degree Celsius" symbol: "degC" display-symbol: "°C" alternate-symbols: - "degreecelsius" description: |- A unit of temperature, defined as kelvin offset with +273.15 using the current, or one of the historical, definitions of the SI units. "If we add to the practical international Celsius temperatures defined above T₀ = 273.15 degrees, we obtain the practical international Kelvin temperatures. By subtracting T₀ from the thermodynamic temperatures, we obtain the thermodynamic Celsius temperatures." [11th CGPM meeting (1960)] The degree Celsius was defined and included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinitions of the kelvin at the 13th CGPM Meeting in 1967, resolution 4 and at the 26th CGPM Meeting (2018), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/degcelsius" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/degcelsius" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/degcelsius" resources: - relation: "Definition at the 11th CGPM meeting (1960)" resource-id: "https://www.bipm.og/en/committees/cg/cgpm/11-1960" - relation: "Redefinition of the kelvin at the 13th CGPM meeting (1967), resolution 4" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-4" - relation: "Redefinition of the kelvin at the 26th CGPM meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Celsius" defining-relation: base-units: - symbol: "K" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kelvin" base-units-expression: "K" offset: numerator: 27315 denominator: 100 x-optimade-definition: label: "degcelsius_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "degcelsius" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/newton.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/newton.0000644000200400020040000000532715112031047032344 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/newton" title: "newton" symbol: "N" display-symbol: "N" description: |- A unit for force and weight equal to kg·m·s⁻² using the current, or one of the historical, definitions of the SI units. "The newton is the force that, in one second, imparts to a mass equal to one kilogram an increase in speed of one meter per second." [9th CGPM meeting in 1946] The newton was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the metre at the 17th CGPM meeting (1983), resolution 1, and the kilogram at the 26th CGPM Meeting (2018), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/newton" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/newton" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/newton" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/newton" resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Newton_(unit)" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "kg*m*s^-2" x-optimade-definition: label: "newton_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "newton" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/parsec.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/parsec.0000644000200400020040000000376715112031047032315 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/parsec" title: "parsec" symbol: "pc" display-symbol: "pc" description: |- A unit of length representing the distance at which 1 astronomical unit subtends an angle of 1 arcsecond using the current, or one of the historical, definitions of the SI units. The parsec unit appears in the International System of Units (SI), 1st ed. (1970) defined in a footnote as "1 parsec is the distance at which 1 astronomical unit subtends an angle of 1 arcsecond; therefore, approximately, 1 pc = 206 265 AU = 30 857 x 10¹² m." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units for use with the SI in specific domains." - The International System of Units (SI), 2nd ed. (1973) categorizes the unit as "Non-SI units accepted for use with the International System, whose values in SI units are obtained experimentally." - The International System of Units (SI), 4th ed. (1981) and later editions omit the unit. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/parsec" resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Parsec" approximate-relations: - base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" scale: value: 3.0857E+16 x-optimade-definition: label: "parsec_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "parsec" ././@LongLink0000644000000000000000000000014700000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/knot.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/knot.ya0000644000200400020040000000471615112031047032340 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/knot" title: "knot" symbol: "knot" display-symbol: "knot" description: |- A unit of speed primarily used in navigation defined as 1 nautical mile per hour which is equal to (1852/3600) m/s using the current, or one of the historical, definitions of the SI units. The knot unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 nautical mile per hour = (1852/3600) m/s." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System." - The International System of Units (SI), 8th ed. (2006) changes the categorization to "Other non-SI units." - The knot is omitted in the International System of Units (SI), 9th Edition (2019). The knot unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/knot" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/knot" resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Knot_(unit)" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "ms^-1" scale: numerator: 1852 denominator: 3600 x-optimade-definition: label: "knot_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "knot" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/hertz.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/hertz.y0000644000200400020040000000401015112031047032343 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/hertz" title: "hertz" symbol: "Hz" display-symbol: "Hz" description: |- A unit for frequency equal to s⁻¹ using the current, or one of the historical, definitions of the SI units. "The frequency of a periodic phenomenon is expressed in hertz, as the inverse of its period expressed in seconds." [9th CGPM meeting in 1946] The hertz was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/hertz" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/hertz" resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Hertz" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "s^-1" x-optimade-definition: label: "hertz_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "hertz" ././@LongLink0000644000000000000000000000014700000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/mole.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/mole.ya0000644000200400020040000000535315112031047032317 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/mole" title: "mole" symbol: "mol" display-symbol: "mol" description: |- A unit of amount of substance using the current, or one of the historical, definitions of the SI units. The current definition at the 26th CGPM Meeting in 2018, resolution 1 is: "The mole, symbol mol, is the SI unit of amount of substance. One mole contains exactly 6.02214076×10²³ elementary entities. This number is the fixed numerical value of the Avogadro constant, \(N_A\), when expressed in the unit mol⁻¹ and is called the Avogadro number. The amount of substance, symbol \(n\), of a system is a measure of the number of specified elementary entities. An elementary entity may be an atom, a molecule, an ion, an electron, any other particle or specified group of particles." The prior definition at the 14th CGPM Meeting (1971), resolution 3 was: "1. The mole is the amount of substance of a system which contains as many elementary entities as there are atoms in 0.012 kilogram of carbon 12. 2. When the mole is used, the elementary entities must be specified and may be atoms, molecules, ions, electrons, other particles, or specified groups of such particles." This definition was clarified at the 69th CIPM meeting in 1980 by appending: "In this definition, it is understood that unbound atoms of carbon 12, at rest and in their ground state, are referred to." This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1971/base/mole" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/mole" resources: - relation: "Definition in the 26th CGPM Meeting in 2018, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Definition in the 14th CGPM Meeting in 1971, resolution 3" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/14-1971/resolution-3" - relation: "Clarification in the 96th meeting of the CIPM" resource-id: "https://www.bipm.org/en/committees/ci/cipm/69-1980" - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Mole_(unit)" x-optimade-definition: label: "mole_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "mole" ././@LongLink0000644000000000000000000000015700000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/nauticalmile.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/nautica0000644000200400020040000000670015112031047032374 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/nauticalmile" title: "nautical mile" symbol: "M" display-symbol: "M" alternate-symbols: - "NM" - "Nm" - "nmi" description: |- A unit of length primarily used in navigation defined as 1852 m using the current, or one of the historical, definitions of the SI units. The nautical mile unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 nautical mile = 1852 m" with the footnote "The nautical mile is a special unit employed for marine and aerial navigation to express distance. The conventional value given above was adopted by the First International Extraordinary Hydrographic Conference, Monaco, 1929, under the name 'International nautical mile'." Historically, the nautical mile was defined as the meridian arc length corresponding to one arcminute of latitude. - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System" and adds to the footnote that: "As yet there is no internationally agreed symbol. This unit was originally chosen because one nautical mile on the surface of the Earth subtends approximately one minute of angle at the centre." - The International System of Units (SI), 8th ed. (2006) changes the categorization to "Other non-SI units" and adjusts the footnote to say: "As yet there is no internationally agreed symbol, but the symbols M, NM, Nm, and nmi are all used; in the table the symbol M is used. The unit was originally chosen, and continues to be used, because one nautical mile on the surface of the Earth subtends approximately one minute of angle at the centre of the Earth, which is convenient when latitude and longitude are measured in degrees and minutes of angle." - The nautical mile is omitted in the International System of Units (SI), 9th Edition (2019). The nautical mile unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/nauticalmile" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/nauticalmile" resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Nautical_mile" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" base-units-expression: "m" scale: numerator: 1852 x-optimade-definition: label: "nauticalmile_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "nauticalmile" ././@LongLink0000644000000000000000000000014600000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/lux.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/lux.yam0000644000200400020040000000612315112031047032344 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/lux" title: "lux" symbol: "lx" display-symbol: "lx" description: |- A derived SI unit for illuminance equal to cd⋅sr⋅m⁻² using the current, or one of the historical, definitions of the SI units. "The lux is the illuminance of a surface that receives a uniformly distributed luminous flux of one lumen per square meter." [9th CGPM meeting in 1946] The lux was defined at the 9th CGPM meeting in 1946, and implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the candela at the 16th CGPM Meeting in 1979, resolution 3, the metre at the 17th CGPM meeting (1983), resolution 1, and the candela (implicitly redefined via the kilogram) at the 26th CGPM Meeting (2018), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/lux" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/lux" - "https://schemas.optimade.org/defs/v1.2/units/si/1979/named/lux" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/lux" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/lux" resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the candela at the 16th CGPM Meeting in 1979, resolution 3." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/16-1979/resolution-3" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Lux" defining-relation: base-units: - symbol: "cd" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/candela" - symbol: "sr" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/steradian" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" base-units-expression: "cd*m^-2*sr" x-optimade-definition: label: "lux_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "lux" ././@LongLink0000644000000000000000000000014700000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/barn.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/barn.ya0000644000200400020040000000443715112031047032307 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/barn" title: "barn" symbol: "b" display-symbol: "b" description: |- A unit of area used in nuclear physics to express cross sections equal to 100 fm² using the current, or one of the historical, definitions of the SI units. The International System of Units (SI), 1st ed. (1970) states: "1 b = 100 fm² = 10⁻²⁸ m" with a footnote "The barn is a special unit used in nuclear physics to express cross sections." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 8th ed. (2006) categorizes the unit as "Other non-SI units currently accepted for use with the International System." - The International System of Units (SI), 9th ed. (2019) categorizes the unit as "Other non-SI units." The barn unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/barn" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/barn" resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Barn_(unit)" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" scale: - exponent: -28 base-units-expression: "m^2" scale: exponent: 4 x-optimade-definition: label: "barn_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "barn" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/hectare.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/hectare0000644000200400020040000000447615112031047032373 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/hectare" title: "hectare" symbol: "ha" display-symbol: "ha" description: |- A unit of area equal to 1000 square meters (1 hm²), using the current, or one of the historical, definitions of the SI units. The hectare unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 ha = 1 hm² = 10⁴ m²" with the footnote "This unit and its symbol were adopted by the International Committee in 1879 (Proces-Verbaux C.I.P.M., 1879, p. 41)." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "units in use temporarily". - The International System of Units (SI), 5th ed. (1985) add the clarification that the unit is "used to express agrarian areas." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System." The hectare unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/hectare" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/hectare" resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Hectare" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" base-units-expression: "m^2" scale: exponent: 4 x-optimade-definition: label: "hectare_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "hectare" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/ampere.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/ampere.0000644000200400020040000000426015112031047032276 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/ampere" title: "ampere" symbol: "A" display-symbol: "A" description: |- A unit of electric current defined according to the current, or one of the historical, definitions of the SI units. The current definition at the 26th CGPM Meeting (2018), resolution 1 is: "The ampere, symbol A, is the SI unit of electric current. It is defined by taking the fixed numerical value of the elementary charge \(e\) to be 1.602176634×10⁻¹⁹ when expressed in the unit C, which is equal to A⋅s, where the second is defined in terms of \(\Delta \nu_\textrm{Cs}\)." The earlier definition from the 41st CIPM meeting (1946), Resolution 2: "The ampere is that constant current which, if maintained in two straight parallel conductors of infinite length, of negligible circular cross-section, and placed 1 metre apart in vacuum, would produce between these conductors a force equal to 2×10⁻⁷ MKS unit of force per metre of length." This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/ampere" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/ampere" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/ampere" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/ampere" resources: - relation: "Definition in the 26th CGPM Meeting in 2018, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Ampere" x-optimade-definition: label: "ampere_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "ampere" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/radian.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/radian.0000644000200400020040000000557015112031047032270 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/radian" title: "radian" symbol: "rad" display-symbol: "rad" alternate-symbols: - "radian" description: |- A unit of plane angle representing the relation of the arc length on a circle intercepted at a given radius so that the full circle has an angle of 4π radians using the current, or one of the historical, definitions of the SI units. The radian is defined at the 9th CGPM Meeting in 1948 as: "The radian is the angle with its vertex at the center of a circle that intercepts an arc of length equal to the radius on the circumference of that circle." The International System of Units (SI), 9th ed. (2019) has a longer but equivalent definition: "The plane angle, expressed in radian, between two lines originating from a common point is the length of circular arc \(s\), swept out between the lines by a radius vector of length \(r\) from the common point divided by the length of the radius vector, \(\theta\) = \(s/r\) rad. The phase angle (often just referred to as the “phase”) is the argument of any complex number. It is the angle between the positive real axis and the radius of the polar representation of the complex number in the complex plane. One radian corresponds to the angle for which \(s = r\), thus 1 rad = 1. The measure of the right angle is exactly equal to the number π/2." The radian is categorized in the International System of Units (SI), 1st Edition as a supplementary SI unit. At the 20th CGPM meeting in 1995, resolution 8 the categorization was changed to a dimensionless derived SI unit. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/radian" resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Reclassification at the 20th CGPM meeting (1995)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/20-1995/resolution-8" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Radian" x-optimade-definition: label: "radian_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "radian" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/metre.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/metre.y0000644000200400020040000000433615112031047032336 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" title: "metre" symbol: "m" display-symbol: "m" alternate-symbols: - "metre" - "meter" description: |- The metre, or meter, is a unit of length using the current, or one of the historical, definitions of the SI units. The current definition in its most recent phrasing at the 26th CGPM Meeting in 2018, resolution 1 is: "The metre, symbol m, is the SI unit of length. It is defined by taking the fixed numerical value of the speed of light in vacuum \(c\) to be 299792458 when expressed in the unit m⋅s⁻¹, where the second is defined in terms of the caesium frequency \(\Delta \nu_\textrm{Cs}\)." This is a rephrasing of a definition at the 17th CGPM Meeting (1983), resolution 1: "The metre is the length of the path travelled by light in vacuum during a time interval of 1/299792458 of a second." [17th CGPM Meeting (1983), resolution 1]. The prior definition at the 11th CGPM meeting (1960), resolution 6 was: "The metre is the length equal to 1650763.73 wavelengths in vacuum of the radiation corresponding to the transition between the levels 2p₁₀ and 5d₅ of the krypton 86 atom." This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" resources: - relation: "Definition at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Definition at the 11th CGPM meeting (1960), resolution 6." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-6" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Metre" x-optimade-definition: label: "metre_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "metre" ././@LongLink0000644000000000000000000000014600000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/are.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/are.yam0000644000200400020040000000435515112031047032310 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/are" title: "are" symbol: "a" display-symbol: "a" description: |- A unit of area equal to 100 square meters (10² m²) using the current, or one of the historical, definitions of the SI units. The are unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 a = 1 dam² = 10² m²" with the footnote "This unit and its symbol were adopted by the International Committee in 1879 (Proces-Verbaux C.I.P.M., 1879, p. 41)." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "units in use temporarily". - The International System of Units (SI), 5th ed. (1985) adds the clarification that the unit is "used to express agrarian areas." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System." - The International System of Units (SI), 8th ed. (2006) completely removes the unit (but still defines the hectare). The are unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/are" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/are" resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Hectare#Are" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" base-units-expression: "m^2" scale: exponent: 4 x-optimade-definition: label: "are_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "are" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/sievert.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/sievert0000644000200400020040000000404715112031047032433 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/sievert" title: "sievert" symbol: "Sv" display-symbol: "Sv" description: |- A unit for equivalent dose of ionizing radiation equal to m²·s⁻² using the current, or one of the historical, definitions of the SI units. "The 16th Conférence Générale des Poids et Mesures, [...] adopts the special name sievert, symbol Sv, for the SI unit of dose equivalent in the field of radioprotection. The sievert is equal to the joule per kilogram." [16th CGPM meeting (1979), resolution 5] The sievert was defined at the 16th CGPM meeting in 1979 and implicitly redefined via the redefinition of the meter at the 17th CGPM Meeting in 1983, resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1979/named/sievert" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/sievert" resources: - relation: "Definition at the 16th CGPM meeting (1979), resolution 5" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/16-1979/resolution-5" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Sievert" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "m^2*s^-2" x-optimade-definition: label: "sievert_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "sievert" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/dalton.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/dalton.0000644000200400020040000000673615112031047032320 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/dalton" title: "dalton" symbol: "Da" display-symbol: "Da" alternate-symbols: - "u" description: |- A unit of mass intended to represent a typical mass of a nucleon in an atom using the current, or one of the historical, definitions given in the editions of the International System of Units (SI). The name dalton as an alternative name to *atomic mass unit* is defined in the International System of Units (SI), 7th ed. (1998) in a footnote to a table labeled "Non-SI units accepted for use with the International System, whose values in SI units are obtained experimentally" in the section "Units outside the international system". The definition given is: "The unified atomic mass unit is equal to 1/12 of the mass of an unbound atom of the nuclide ¹²C, at rest, and in its ground state. In the field of biochemistry, the unified atomic mass unit is also called the dalton, symbol Da." This definition makes the dalton equivalent to the atomic mass unit defined in the International System of Units (SI), 1st ed. (1970) (https://schemas.optimade.org/defs/v1.2/units/si/general/atomicmassunit) In the International System of Units (SI) 8th ed. (2006) the definition is slightly adjusted, replacing "unbound" with "free": "The dalton (Da) and the unified atomic mass unit (u) are alternative names (and symbols) for the same unit, equal to 1/12 times the mass of a free carbon 12 atom, at rest and in its ground state." All editions of the International System of Units (SI) note approximate relationships to the kilogram. The 9th ed. states "1 Da = 1.660 539 066 60(50)×10⁻²⁷ kg", where the 2018 CODATA value has been used and the 2019 SI kilogram is referenced (https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram). Note: in the 2019 redefinition of the SI units, the dalton is the only unit listed as accepted for use with SI that does not have an exact relation to the base SI units. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1998/accepted/dalton" - "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/atomicmassunit" - "https://schemas.optimade.org/defs/v1.2/units/si/general/atomicmassunit" resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Dalton_(unit)" - relation: "CODATA unified atomic mass unit fundamental physical constant: source for relationship to kg" resource-id: "https://physics.nist.gov/cgi-bin/cuu/Value?ukg" compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/general/atomicmassunit" approximate-relations: - base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" base-units-expression: "kg" scale: value: 1.66053906660E-27 standard_uncertainty: 0.00000000050E-27 x-optimade-definition: label: "dalton_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "dalton" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/katal.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/katal.y0000644000200400020040000000354215112031047032314 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/katal" title: "katal" symbol: "kat" display-symbol: "kat" description: |- A derived SI unit for catalytic activity, defined as mol·s⁻¹ using the current, or one of the historical, definitions of the SI units. "The 21st Conférence Générale des Poids et Mesures, [...] decides to adopt the special name katal, symbol kat, for the SI unit mole per second to express catalytic activity, especially in the fields of medicine and biochemistry, and recommends that when the katal is used, the measurand be specified by reference to the measurement procedure; the measurement procedure must identify the indicator reaction." [21st CGPM meeting (1999), resolution 12] The katal unit was implicitly redefined via the redefinition of the mole at the 26th CGPM Meeting (2018), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1999/named/katal" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/katal" resources: - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Katal" defining-relation: base-units: - symbol: "mol" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/mole" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "mol*s^-1" x-optimade-definition: label: "katal_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "katal" ././@LongLink0000644000000000000000000000014600000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/bar.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/bar.yam0000644000200400020040000000557115112031047032306 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/bar" title: "bar" symbol: "bar" display-symbol: "bar" description: |- A unit of pressure equal to 10⁵ N/m using the current, or one of the historical, definitions of the SI units. The bar unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 bar = 0,1 MPa = 10⁵ Pa" with the footnote "This unit and its symbol are included in Resolution 7 of the 9th C.G.P.M. (1948)." (While the pascal unit appears in the 1st ed. as a symbol for N·s/m², it was adopted into SI at the 14th CGPM meeting in 1971.) - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System." - The International System of Units (SI), 8th ed. (2006) changes the categorization to "Other non-SI units" and updates the footnote to: "The bar and its symbol are included in Resolution 7 of the 9th CGPM (1948; CR, 70). Since 1982 one bar has been used as the standard pressure for tabulating all thermodynamic data. Prior to 1982 the standard pressure used to be the standard atmosphere, equal to 1.013 25 bar, or 101 325 Pa." - The bar is omitted in the International System of Units (SI), 9th Edition (2019) (except appearing as an example in the context of typesetting of units). The bar unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/bar" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/bar" resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Bar_(unit)" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "kg*m^-1*s^-2" scale: exponent: 5 x-optimade-definition: label: "bar_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "bar" ././@LongLink0000644000000000000000000000014700000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/hour.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/hour.ya0000644000200400020040000000324515112031047032336 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/hour" title: "hour" symbol: "h" display-symbol: "h" description: |- A unit of time equal to 60 minutes, or 3600 seconds, using the current, or one of the historical, definitions of the SI units. The hour unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 h = 60 min = 3600 s". - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Non-SI units accepted for use with the International System." This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/hour" resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Hour" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "s" scale: numerator: 3600 x-optimade-definition: label: "hour_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "hour" ././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/henry.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/henry.y0000644000200400020040000000563715112031047032354 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/henry" title: "henry" symbol: "H" display-symbol: "H" description: |- A unit for inductance equal to kg·m²·s⁻²·A⁻² using the current, or one of the historical, definitions of the SI units. "The henry is the inductance of a closed circuit in which an electromotive force of one volt is produced when the electric current passing through the circuit varies uniformly at a rate of one ampere per second." [9th CGPM meeting in 1946] The henry was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, and implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the metre at the 17th CGPM meeting (1983), resolution 1, and the kilogram and ampere at the 26th CGPM Meeting (2018), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/named/henry" - "https://schemas.optimade.org/defs/v1.2/units/si/1967/named/henry" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/henry" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/henry" resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second at the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the kilogram and ampere at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Henry_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "A^-2*kg*m^2*s^-2" x-optimade-definition: label: "henry_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "henry" ././@LongLink0000644000000000000000000000015700000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/electronvolt.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/electro0000644000200400020040000000512415112031047032404 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/electronvolt" title: "electron volt" symbol: "eV" display-symbol: "eV" description: |- A unit of energy that representing the kinetic energy acquired by an electron as it accelerates through a 1 volt potential difference in a vacuum using the current, or one of the historical, definitions given in the editions of the International System of Units (SI). The electronvolt unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 electronvolt is the energy acquired by an electron after traversing a potential difference of 1 V in a vacuum; 1 eV = 1.60219×10⁻¹⁹ J approximately." This definition makes the unit equal to 1 volt times the value of the elementary charge. In the 2019 redefinition of the SI units the elementary charge is exactly 1.602176634·10⁻¹⁹ C, making the electron volt exactly equal to 1.602176634·10⁻¹⁹ J. The International System of Units (SI), 9th ed. (2019) accordingly notes the exact relationship with the SI 2019 derived unit joule as "1 eV = 1.602176634·10⁻¹⁹ J" but retains the definition from 1970 in a footnote. The unit is categorized in the International System of Units (SI), 9th ed. (2019) as "Non-SI units accepted for use with the SI units". This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/electronvolt" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/accepted/electronvolt" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/accepted/electronvolt" resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Electronvolt" approximate-relations: - base-units: - symbol: "V" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/volt" - symbol: "e" id: "https://schemas.optimade.org/defs/v1.2/constants/codata/2018/electromagnetic/elementarycharge" base-units-expression: "e*V" x-optimade-definition: label: "electronvolt_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "electronvolt" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/angstrom.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/angstro0000644000200400020040000000502615112031047032425 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/angstrom" title: "ångström" symbol: "angstrom" display-symbol: "Å" description: |- A unit of length equal to 10⁻¹⁰ meter, using the current, or one of the historical, definitions of the SI units. The ångström unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 Å = 0.1 nm = 10⁻¹⁰ m". The ångström unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "temporarily admitted" for use with the SI units. - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units currently accepted for use with the International System." - The International System of Units (SI), 8th ed. (2006) changes the categorization to "Other non-SI units" and adds as a clarifying footnote "The ångström is widely used by x-ray crystallographers and structural chemists because all chemical bonds lie in the range 1 to 3 ångströms. However it has no official sanction from the CIPM or the CGPM." - The ångström is omitted in the International System of Units (SI), 9th Edition (2019). This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/angstrom" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/angstrom" resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Angstrom" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" base-units-expression: "m" scale: exponent: -10 x-optimade-definition: label: "angstrom_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "angstrom" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/steradian.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/steradi0000644000200400020040000000465415112031047032411 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/steradian" title: "steradian" symbol: "sr" display-symbol: "sr" alternate-symbols: - "sterad" description: |- A unit of solid angle representing the relation of the area cut out on a sphere at a given radius so that the entire sphere has a solid angle of 4π steradians using the current, or one of the historical, definitions of the SI units. The radian is defined at the 9th CGPM Meeting in 1948 as: "The unit of solid angle is the steradian. The steradian is the solid angle with its vertex at the center of a sphere with a radius of one meter, which cuts out an area of one square meter on the surface of that sphere." The International System of Units (SI), 9th Edition give a rephrased but equivalent definition: "The solid angle, expressed in steradian, corresponds to the ratio between an area \(A\) of the surface of a sphere of radius \(r\) and the squared radius, \(\Omega = A/r^2\) sr. One steradian corresponds to the solid angle for which \(A = r^2\), thus 1 sr = 1." The steradian is categorized in the International System of Units (SI), 1st Edition as a supplementary SI unit. At the 20th CGPM meeting in 1995, resolution 8 the categorization was changed to a dimensionless derived SI unit. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/steradian" resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Reclassification at the 20th CGPM meeting (1995)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/20-1995/resolution-8" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Steradian" x-optimade-definition: label: "steradian_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "steradian" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/becquerel.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/becquer0000644000200400020040000000271215112031047032375 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/becquerel" title: "becquerel" symbol: "Bq" display-symbol: "Bq" description: |- A unit for radioactivity, defined as s⁻¹ using the current, or one of the historical, definitions of the SI units. "The 15th Conférence Générale des Poids et Mesures, [...] adopts the following special name for the SI unit of activity: becquerel, symbol Bq, equal to one reciprocal second." [15th CGPM Meeting (1975)] This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1975/named/becquerel" resources: - relation: "Definition at the 15th CGPM Meeting (1975)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/15-1975" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Becquerel" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "s^-1" x-optimade-definition: label: "becquerel_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "becquerel" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/arcsecond.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/arcseco0000644000200400020040000000601015112031047032361 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/arcsecond" title: "arcsecond" symbol: "arcsec" display-symbol: "″" alternate-symbols: - "second of plane angle" - "second of arc" - "\"" description: |- A unit of plane and phase angle equal to 1/60 of an arcminute representing 1/1296000 of a circle, equal to π/648000 rad, using the current, or one of the historical, definitions of the SI units. This definition uses "arcsecond" as the unit name to distingush it from the time unit named minute. The unit appear under the name second (with symbol ″) in the International System of Units (SI), 1st ed. (1970) defined as "1″ = (1/60)′ = (π/648 000) rad." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use with the International System." - The International System of Units (SI), 7th ed. (1998) adds as a footnote: "ISO 31 recommends that the degree be subdivided decimally rather than using the minute and second." - The International System of Units (SI), 8th ed. (2006) further adds to that footnote: "For navigation and surveying, however, the minute has the advantage that one minute of latitude on the surface of the Earth corresponds (approximately) to one nautical mile." - The International System of Units (SI), 9th ed. (2019) replaces the footnote with: "For some applications such as in astronomy, small angles are measured in arcseconds (i.e. seconds of plane angle), denoted as or ′′, or milliarcseconds, microarcseconds and picoarcseconds, denoted mas, μas and pas, respectively, where arcsecond is an alternative name for second of plane angle." The formulation "denoted as or ″" is reproduced here faithfully from the source and suggests an alternate symbol may have been omitted due to a typographical error. It is not clear what alternate symbol was intended to be referenced. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/arcsecond" resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Minute_and_second_of_arc" defining-relation: base-units: - symbol: "pi" id: "https://schemas.optimade.org/defs/v1.2/constants/math/basic/pi" - symbol: "rad" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/radian" base-units-expression: "pi*rad" scale: denominator: 648000 x-optimade-definition: label: "arcsecond_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "arcsecond" ././@LongLink0000644000000000000000000000014600000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/gal.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/gal.yam0000644000200400020040000000500515112031047032275 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/gal" title: "gal" symbol: "Gal" display-symbol: "Gal" description: |- A unit of acceleration equal to 1 centimeter per second squared (1 cm/s²), using the current, or one of the historical, definitions of the SI units. The gal unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 Gal = 1 cm/s² = 10⁻² m/s²" with the footnote "The gal is a special unit of acceleration employed in geodesy and geophysics to express acceleration due to gravity." - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "units in use temporarily". - The International System of Units (SI), 7th ed. (1998) changes the categorization to "derived CGS units with special names". - The International System of Units (SI), 9th ed. (2019) moves the unit definition to the margin aside the table for Non-SI units accepted for use with the SI units. It is not clear how to interpret the categorization intended with this placement of the unit. The galileo unit was implicitly redefined via the redefinition of the metre at the 17th CGPM meeting (1983), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/temporary/gal" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/temporary/gal" resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Gal_(unit)" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "m*s^-2" scale: exponent: -2 x-optimade-definition: label: "gal_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "gal" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/minute.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/minute.0000644000200400020040000000324315112031047032326 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/minute" title: "minute" symbol: "min" display-symbol: "min" description: |- A unit of time that is equal to 60 seconds, using the current, or one of the historical, definitions of the SI units. The minute unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 min = 60 s". - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Non-SI units accepted for use with the International System." This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1970/accepted/minute" resources: - relation: "Definition in the International System of Units (SI), 1st Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Minute" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "s" scale: numerator: 60 x-optimade-definition: label: "minute_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "minute" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/siemens.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/general/siemens0000644000200400020040000000470215112031047032413 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/general/siemens" title: "siemens" symbol: "S" display-symbol: "S" description: |- A unit for electrical conductance equal to kg⁻¹·m⁻²·s³·A² using the current, or one of the historical, definitions of the SI units. "The International Committee will ask the General Conference to approve two special names: [...] siemens (symbol S) for the SI unit of conductance (Ω⁻¹)." [14th CGPM Meeting (1971)]. The siemens was defined at the 14th CGPM Meeting in 1971 and implicitly redefined via the redefinitions of the meter at the 17th CGPM Meeting in 1983, resolution 1 and the kilogram at the 26th CGPM Meeting (2018), resolution 1. This is a generalized definition taken to reference the current, or one of the historical, SI unit definitions. This definition is intended for situations when it is not possible to be more precise, e.g., in contexts where data have been collected that uses different historical SI definitions. compatibility: - "https://schemas.optimade.org/defs/v1.2/units/si/1971/named/siemens" - "https://schemas.optimade.org/defs/v1.2/units/si/1983/named/siemens" - "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/siemens" resources: - relation: "Definition at the 14th CGPM Meeting (1971)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/14-1971" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Siemens_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/general/second" base-units-expression: "A^2*kg^-1*m^-2*s^3" x-optimade-definition: label: "siemens_si_general" kind: "unit" format: "1.2" version: "1.2.0" name: "siemens" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1964/0000775000200400020040000000000015112031047030012 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1964/temporary/0000775000200400020040000000000015112031047032034 5ustar andriusandrius././@LongLink0000644000000000000000000000015700000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1964/temporary/curie.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1964/temporary/0000644000200400020040000000273015112031047032036 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1964/temporary/curie" title: "curie" symbol: "Ci" display-symbol: "Ci" description: |- A non-SI unit of activity with the value 3.7·10⁻¹⁰ s⁻¹ defined at the 12th CGPM meeting in 1964. Defined as outside the SI at the 12th CGPM meeting in 1964, resolution 7. - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units in use temporarily with the International System." - The International System of Units (SI), 7th ed. (1998) changes the categorization to "Other non-SI units". - The curie is omitted in the International System of Units (SI), 8th Edition (2006). resources: - relation: "Definition at the 12th CGPM meeting (1964), resolution 3" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/12-1964/resolution-3" - relation: "Le Système International d'Unités (SI) (1970)" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Curie_(unit)" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/second" base-units-expression: "s^-1" scale: numerator: 37 exponent: -11 x-optimade-definition: label: "curie_si_1964_temporary" kind: "unit" format: "1.2" version: "1.2.0" name: "curie" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1964/accepted/0000775000200400020040000000000015112031047031562 5ustar andriusandrius././@LongLink0000644000000000000000000000015600000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1964/accepted/litre.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1964/accepted/l0000644000200400020040000000223115112031047031734 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1964/accepted/litre" title: "litre" symbol: "l" display-symbol: "l" alternate-symbols: - "L" - "liter" description: |- The litre, or liter is a unit of volume equal to a cubic decimetre (1 dm³), with meter defined according to the 1960 SI units. "The 12th Conférence Générale des Poids et Mesures (CGPM) [...] declares that the word 'litre' may be employed as a special name for the cubic decimetre" [12th CGPM meeting (1964), resolution 6]. resources: - relation: "Definition at the 12th CGPM meeting (1964), resolution 6" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/12-1964/resolution-6" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Litre" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" base-units-expression: "m^3" scale: exponent: -3 x-optimade-definition: label: "litre_si_1964_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "litre" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/0000775000200400020040000000000015112031047030002 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/base/0000775000200400020040000000000015112031047030714 5ustar andriusandrius././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/base/kelvin.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/base/kelvi0000644000200400020040000000301715112031047031750 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kelvin" title: "kelvin" symbol: "K" display-symbol: "K" description: |- The SI base unit of thermodynamic temperature defined by fixing the value of the Boltzmann constant as defined at the 26th CGPM Meeting (2018) and adopted into SI in 2019. "The kelvin, symbol K, is the SI unit of thermodynamic temperature. It is defined by taking the fixed numerical value of the Boltzmann constant k to be 1.380649×10⁻²³ when expressed in the unit J⋅K⁻¹, which is equal to kg⋅m²⋅s⁻²⋅K⁻¹, where the kilogram, metre and second are defined in terms of \(h\), \(c\) and \(\Delta \nu_\textrm{Cs}\)." [26th CGPM Meeting (2018), resolution 1]. This definition references the 2019 SI derived joule unit (https://schemas.optimade.org/defs/v1.2/units/si/2019/named/joule). resources: - relation: "Definition in the 26th CGPM Meeting in 2018, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Kelvin" standard: name: "si" year: 2019 category: "base" symbol: "K" x-optimade-definition: label: "kelvin_si_2019_base" kind: "unit" format: "1.2" version: "1.2.0" name: "kelvin" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/base/candela.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/base/cande0000644000200400020040000000563415112031047031717 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/candela" title: "candela" symbol: "cd" display-symbol: "cd" description: |- The SI base unit of luminous intensity in a given direction defined by fixing the value of the luminous efficacy of radiation of a specific frequency precisely matching the definition at the 16th CGPM Meeting in 1979 using the 2019 SI units. "The candela is the luminous intensity, in a given direction, of a source that emits monochromatic radiation of frequency 540×10¹² hertz and that has a radiant intensity in that direction of 1/683 watt per steradian." [16th CGPM Meeting (1979), resolution 3]. At the 26th CGPM Meeting in 2018, resolution 1 the definition was rephrased to: "The candela, symbol cd, is the SI unit of luminous intensity in a given direction. It is defined by taking the fixed numerical value of the luminous efficacy of monochromatic radiation of frequency 540×10¹² Hz, \(K_\mathrm{cd}\), to be 683 when expressed in the unit lm⋅W⁻¹, which is equal to cd⋅sr⋅W⁻¹, or cd⋅sr⋅kg⁻¹⋅m⁻²⋅s³, where the kilogram, metre and second are defined in terms of \(h\), \(c\) and \(\Delta \nu_\textrm{Cs}\)." [26th CGPM Meeting (2018), resolution 1]. Following the redefinition of the metre at the 17th CGPM Meeting in 1983, resolution 1, and the redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1, the implicitly redefined candela references: - the SI 1967 derived hertz unit (https://schemas.optimade.org/defs/v1.2/units/si/1967/named/hertz) equal to second⁻¹, referencing the SI 1967 base unit second (https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second). - the SI 2019 derived watt unit (https://schemas.optimade.org/defs/v1.2/units/si/2019/named/watt) equal to kilogram·meter²·second⁻³, referencing the SI 2019 base unit kilogram (https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram), the SI 1983 base unit metre (https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre); and the 1967 base unit second (https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second). - the SI 1960 supplementary unit steradian (https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/steradian). resources: - relation: "Definition in the 26th CGPM Meeting in 2018, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Candela" standard: name: "si" year: 2019 category: "base" symbol: "cd" x-optimade-definition: label: "candela_si_2019_base" kind: "unit" format: "1.2" version: "1.2.0" name: "candela" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/base/kilogram.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/base/kilog0000644000200400020040000000310615112031047031742 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" title: "kilogram" symbol: "kg" display-symbol: "kg" description: |- The SI base unit of mass defined by fixing the value of the Planck constant as defined at the 26th CGPM Meeting (2018) and adopted into SI in 2019. "The kilogram, symbol kg, is the SI unit of mass. It is defined by taking the fixed numerical value of the Planck constant \(h\) to be 6.62607015×10⁻³⁴ when expressed in the unit J⋅s, which is equal to kg⋅m²⋅s⁻¹, where the metre and the second are defined in terms of \(c\) and \(\Delta \nu_\textrm{Cs}\)." [26th CGPM Meeting (2018), resolution 1]. This definition references: - The 2019 SI derived joule unit (https://schemas.optimade.org/defs/v1.2/units/si/2019/named/joule). - The 1967 SI base second unit (https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second). resources: - relation: "Definition in the 26th CGPM Meeting in 2018, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Kilogram" standard: name: "si" year: 2019 category: "base" symbol: "kg" x-optimade-definition: label: "kilogram_si_2019_base" kind: "unit" format: "1.2" version: "1.2.0" name: "kilogram" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/base/mole.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/base/mole.0000644000200400020040000000303015112031047031643 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/mole" title: "mole" symbol: "mol" display-symbol: "mol" description: |- The SI base unit of amount of substance defined by fixing the value of Avogadro constant as defined at the 26th CGPM Meeting (2018) and adopted into SI in 2019. "The mole, symbol mol, is the SI unit of amount of substance. One mole contains exactly 6.02214076×10²³ elementary entities. This number is the fixed numerical value of the Avogadro constant, \(N_A\), when expressed in the unit mol⁻¹ and is called the Avogadro number. The amount of substance, symbol \(n\), of a system is a measure of the number of specified elementary entities. An elementary entity may be an atom, a molecule, an ion, an electron, any other particle or specified group of particles." [26th CGPM Meeting (2018), resolution 1]. resources: - relation: "Definition in the 26th CGPM Meeting in 2018, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Mole_(unit)" standard: name: "si" year: 2019 category: "base" symbol: "mol" x-optimade-definition: label: "mole_si_2019_base" kind: "unit" format: "1.2" version: "1.2.0" name: "mole" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/base/ampere.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/base/amper0000644000200400020040000000267515112031047031753 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/ampere" title: "ampere" symbol: "A" display-symbol: "A" description: |- The SI base unit of electric current defined by fixing the value of the elementary charge as defined at the 26th CGPM Meeting (2018) and adopted into SI in 2019. "The ampere, symbol A, is the SI unit of electric current. It is defined by taking the fixed numerical value of the elementary charge \(e\) to be 1.602176634×10⁻¹⁹ when expressed in the unit C, which is equal to A⋅s, where the second is defined in terms of \(\Delta \nu_\textrm{Cs}\)." [26th CGPM Meeting (2018), resolution 1]. This definition references the 1976 SI base second unit (https://schemas.optimade.org/defs/v1.2/units/si/1976/base/second). resources: - relation: "Definition in the 26th CGPM Meeting in 2018, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Ampere" standard: name: "si" year: 2019 category: "base" symbol: "A" x-optimade-definition: label: "ampere_si_2019_base" kind: "unit" format: "1.2" version: "1.2.0" name: "ampere" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/0000775000200400020040000000000015112031047031066 5ustar andriusandrius././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/weber.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/webe0000644000200400020040000000415715112031047031740 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/weber" title: "weber" symbol: "Wb" display-symbol: "Wb" description: |- A derived SI unit for magnetic flux equal to kg·m²·s⁻³·A⁻¹ in the 2019 SI units. "The weber is the magnetic induction flux that, passing through a single-turn circuit, produces an electromotive force of one volt if it is reduced to zero in one second by uniform decay." [9th CGPM meeting in 1946] The weber was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1; the metre at the 17th CGPM meeting (1983), resolution 1; and the kilogram at the 26th CGPM Meeting (2018), resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the kilogram in the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Weber_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^-1*kg*m^2*s^-3" standard: name: "si" year: 2019 category: "named" symbol: "Wb" x-optimade-definition: label: "weber_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "weber" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/lumen.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/lume0000644000200400020040000000442115112031047031752 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/lumen" title: "lumen" symbol: "lm" display-symbol: "lm" description: |- A derived SI unit for luminous flux equal to cd·sr using the 1983 SI units. "The lumen is the luminous flux emitted in a steradian by a uniform point source with a luminous intensity of one candela." [9th CGPM meeting in 1946] The lumen was defined at the 9th CGPM meeting in 1946, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the candela at the 16th CGPM Meeting in 1979, resolution 3, the metre at the 17th CGPM Meeting in 1983, resolution 1, and the candela (implicitly redefined via the kilogram) at the 26th CGPM Meeting (2018), resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the candela at the 16th CGPM Meeting in 1979, resolution 3." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/16-1979/resolution-3" - relation: "Redefinition of the second in the 13th CGPM Meeting in 1967, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the metre at the 17th CGPM meeting in 1983, resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Lumen_(unit)" defining-relation: base-units: - symbol: "cd" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/candela" - symbol: "sr" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/steradian" base-units-expression: "cd*sr" standard: name: "si" year: 2019 category: "named" symbol: "lm" x-optimade-definition: label: "lumen_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "lumen" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/tesla.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/tesl0000644000200400020040000000365215112031047031764 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/tesla" title: "tesla" symbol: "T" display-symbol: "T" description: |- A derived SI unit for magnetic flux density equal to kg·s⁻²·A⁻¹ in the 2019 SI units. The tesla was defined as 1 Wb/m in the introduction of the SI unit system the 11th CGPM Meeting in 1960, resolution 12, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the ampere (implicitly via the redefinition of the metre) at the 17th CGPM Meeting in 1983, resolution 1, and the kilogram and ampere at the 26th CGPM Meeting (2018), resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the kilogram and the ampere at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Tesla_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^-1*kg*s^-2" standard: name: "si" year: 2019 category: "named" symbol: "T" x-optimade-definition: label: "tesla_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "tesla" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/watt.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/watt0000644000200400020040000000412015112031047031763 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/watt" title: "watt" symbol: "W" display-symbol: "W" description: |- A derived SI unit for power and radiant flux equal to kg·m²·s⁻³ in the 1983 SI units. "The watt is the power that produces one joule per second." [9th CGPM meeting in 1946] The watt was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1; the metre at the 17th CGPM meeting (1983), resolution 1; and the kilogram at the 26th CGPM Meeting (2018), resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Watt" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m^2*s^-3" standard: name: "si" year: 2019 category: "named" symbol: "W" x-optimade-definition: label: "watt_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "watt" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/coulomb.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/coul0000644000200400020040000000375015112031047031756 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/coulomb" title: "coulomb" symbol: "C" display-symbol: "C" description: |- A derived SI unit for electric charge equal to s·A in the 1983 SI base units. "The coulomb is the amount of electricity transported in one second by a current of one ampere." [9th CGPM meeting in 1946] The coulomb was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1; the metre at the 17th CGPM meeting (1983), resolution 1; and the kilogram at the 26th CGPM Meeting (2018), resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the kilogram in the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Coulomb" defining-relation: base-units: - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/ampere" base-units-expression: "A*s" standard: name: "si" year: 2019 category: "named" symbol: "C" x-optimade-definition: label: "coulomb_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "coulomb" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/farad.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/fara0000644000200400020040000000424215112031047031722 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/farad" title: "farad" symbol: "F" display-symbol: "F" description: |- A derived SI unit for electrical capacitance equal to kg⁻¹·m⁻²·s⁴·A² in the 2019 SI units. "The farad is the capacitance of an electric capacitor between whose plates an electric potential difference of one volt appears when it is charged with an amount of electricity equal to one coulomb." [9th CGPM meeting in 1946] The farad was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, and the redefinitions of the ampere and kilogram at the 26th CGPM Meeting in 2018, resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the kilogram and ampere in the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Farad" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^2*kg^-1*m^-2*s^4" standard: name: "si" year: 2019 category: "named" symbol: "F" x-optimade-definition: label: "farad_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "farad" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/pascal.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/pasc0000644000200400020040000000354415112031047031743 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/pascal" title: "pascal" symbol: "Pa" display-symbol: "Pa" description: |- A derived SI unit for pressure and stress equal to kg·m⁻¹·s⁻² using the 2019 SI units. "The International Committee will ask the General Conference to approve two special names: pascal (symbol Pa) for the SI unit of pressure (N/m²), [...]" [14th CGPM Meeting (1971)]. The pascal was defined at the 14th CGPM Meeting in 1971 and implicitly redefined via the redefinitions of the metre at the 17th CGPM Meeting in 1983, resolution 1, and the kilogram at the 26th CGPM Meeting (2018), resolution 1. resources: - relation: "Definition at the 14th CGPM Meeting (1971)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/14-1971" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Pascal_(unit)" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m^-1*s^-2" standard: name: "si" year: 2019 category: "named" symbol: "Pa" x-optimade-definition: label: "pascal_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "pascal" ././@LongLink0000644000000000000000000000015200000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/volt.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/volt0000644000200400020040000000457015112031047032001 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/volt" title: "volt" symbol: "V" display-symbol: "V" description: |- A derived SI unit for electric potential, voltage, and electromotive force equal to kg·m²·s⁻³·A⁻¹ in the 2019 SI units. "The volt is the electric potential difference that exists between two points of a conducting wire carrying a constant current of one ampere when the power dissipated between these points is equal to one watt." [9th CGPM meeting in 1946] The volt was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the metre at the 17th CGPM Meeting in 1983, resolution 1, and the kilogram at the 26th CGPM Meeting (2018), resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Volt" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/ampere" base-units-expression: "A^-1*kg*m^2*s^-3" standard: name: "si" year: 2019 category: "named" symbol: "V" x-optimade-definition: label: "volt_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "volt" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/joule.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/joul0000644000200400020040000000442315112031047031763 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/joule" title: "joule" symbol: "J" display-symbol: "J" description: |- A derived SI unit for energy, work, and heat equal to kg·m²·s⁻² in the 1983 SI units. "The joule is the work produced by a newton whose point of application moves one meter in the direction of the force." [9th CGPM meeting in 1946] The joule was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the metre at the 17th CGPM meeting (1983), resolution 1, and the kilogram at the 26th CGPM Meeting (2018), resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Joule" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m^2*s^-2" standard: name: "si" year: 2019 category: "named" symbol: "J" x-optimade-definition: label: "joule_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "joule" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/ohm.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/ohm.0000644000200400020040000000507615112031047031660 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/ohm" title: "ohm" symbol: "ohm" display-symbol: "Ω" description: |- A derived SI unit for electrical resistance equal to kg·m²·s⁻³·A⁻² in the 2019 SI units. "The ohm is the electrical resistance that exists between two points of a conductor when a constant potential difference of one volt, applied between these two points, produces a current of one ampere in the conductor, provided that the conductor is not the seat of any electromotive force." [9th CGPM meeting in 1946] The ohm was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the metre at the 17th CGPM meeting (1983), resolution 1, and the kilogram and ampere at the 26th CGPM Meeting (2018), resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the kilogram and the ampere at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Ohm" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^-2*kg*m^2*s^-3" standard: name: "si" year: 2019 category: "named" symbol: "ohm" x-optimade-definition: label: "ohm_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "ohm" ././@LongLink0000644000000000000000000000016000000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/degcelsius.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/degc0000644000200400020040000000362115112031047031713 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/degcelsius" title: "degree Celsius" symbol: "degC" display-symbol: "°C" alternate-symbols: - "degreecelsius" description: |- A derived SI unit of temperature, defined as kelvin offset with +273.15 in the 2019 SI units. "If we add to the practical international Celsius temperatures defined above T₀ = 273.15 degrees, we obtain the practical international Kelvin temperatures. By subtracting T₀ from the thermodynamic temperatures, we obtain the thermodynamic Celsius temperatures." [11th CGPM meeting (1960)] The degree Celsius was defined and included in SI at the 11th CGPM meeting in 1960, resolution 12 and implicitly redefined via the redefinitions of the kelvin at the 13th CGPM Meeting in 1967, resolution 4 and at the 26th CGPM Meeting (2018), resolution 1. resources: - relation: "Definition at the 11th CGPM meeting (1960)" resource-id: "https://www.bipm.og/en/committees/cg/cgpm/11-1960" - relation: "Redefinition of the kelvin at the 13th CGPM meeting (1967), resolution 4" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-4" - relation: "Redefinition of the kelvin at the 26th CGPM meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Celsius" defining-relation: base-units: - symbol: "K" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kelvin" base-units-expression: "K" offset: numerator: 27315 denominator: 100 standard: name: "si" year: 2019 category: "named" symbol: "degC" x-optimade-definition: label: "degcelsius_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "degcelsius" ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/newton.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/newt0000644000200400020040000000424115112031047031765 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/newton" title: "newton" symbol: "N" display-symbol: "N" description: |- A derived SI unit for force and weight equal to kg·m·s⁻² in 2019 SI units. "The newton is the force that, in one second, imparts to a mass equal to one kilogram an increase in speed of one meter per second." [9th CGPM meeting in 1946] The newton was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the metre at the 17th CGPM meeting (1983), resolution 1, and the kilogram at the 26th CGPM Meeting (2018), resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Newton_(unit)" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "kg*m*s^-2" standard: name: "si" year: 2019 category: "named" symbol: "N" x-optimade-definition: label: "newton_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "newton" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/lux.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/lux.0000644000200400020040000000474315112031047031705 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/lux" title: "lux" symbol: "lx" display-symbol: "lx" description: |- A derived SI unit for illuminance equal to cd⋅sr⋅m⁻² in 2019 SI units. "The lux is the illuminance of a surface that receives a uniformly distributed luminous flux of one lumen per square meter." [9th CGPM meeting in 1946] The lux was defined at the 9th CGPM meeting in 1946, and implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the candela at the 16th CGPM Meeting in 1979, resolution 3, the metre at the 17th CGPM meeting (1983), resolution 1, and the candela (implicitly redefined via the kilogram) at the 26th CGPM Meeting (2018), resolution 1. resources: - relation: "Definition at the 9th CGPM meeting (1948)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/9-1948" - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the candela at the 16th CGPM Meeting in 1979, resolution 3." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/16-1979/resolution-3" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Lux" defining-relation: base-units: - symbol: "cd" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/candela" - symbol: "sr" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/steradian" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" base-units-expression: "cd*m^-2*sr" standard: name: "si" year: 2019 category: "named" symbol: "lx" x-optimade-definition: label: "lux_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "lux" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/katal.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/kata0000644000200400020040000000267215112031047031736 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/katal" title: "katal" symbol: "kat" display-symbol: "kat" description: |- A derived SI unit for catalytic activity, defined as mol·s⁻¹ using the 2019 SI units. "The 21st Conférence Générale des Poids et Mesures, [...] decides to adopt the special name katal, symbol kat, for the SI unit mole per second to express catalytic activity, especially in the fields of medicine and biochemistry, and recommends that when the katal is used, the measurand be specified by reference to the measurement procedure; the measurement procedure must identify the indicator reaction." [21st CGPM meeting (1999), resolution 12] The katal unit was implicitly redefined via the redefinition of the mole at the 26th CGPM Meeting (2018), resolution 1. resources: - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Katal" defining-relation: base-units: - symbol: "mol" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/mole" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "mol*s^-1" standard: name: "si" year: 2019 category: "named" symbol: "kat" x-optimade-definition: label: "katal_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "katal" ././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/henry.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/henr0000644000200400020040000000456315112031047031753 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/henry" title: "henry" symbol: "H" display-symbol: "H" description: |- A derived SI unit for inductance equal to kg·m²·s⁻²·A⁻² in the 1983 SI units. "The henry is the inductance of a closed circuit in which an electromotive force of one volt is produced when the electric current passing through the circuit varies uniformly at a rate of one ampere per second." [9th CGPM meeting in 1946] The henry was defined at the 9th CGPM Meeting in 1946, included in SI at the 11th CGPM meeting in 1960, resolution 12, and implicitly redefined via the redefinitions of the second at the 13th CGPM Meeting in 1967, resolution 1, the metre at the 17th CGPM meeting (1983), resolution 1, and the kilogram and ampere at the 26th CGPM Meeting (2018), resolution 1. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the second at the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Redefinition of the kilogram and ampere at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Henry_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^-2*kg*m^2*s^-2" standard: name: "si" year: 2019 category: "named" symbol: "H" x-optimade-definition: label: "henry_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "henry" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/siemens.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/named/siem0000644000200400020040000000373715112031047031756 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/siemens" title: "siemens" symbol: "S" display-symbol: "S" description: |- A derived SI unit for electrical conductance equal to kg⁻¹·m⁻²·s³·A² using the 2019 SI base units. "The International Committee will ask the General Conference to approve two special names: [...] siemens (symbol S) for the SI unit of conductance (Ω⁻¹)." [14th CGPM Meeting (1971)]. The siemens was defined at the 14th CGPM Meeting in 1971 and implicitly redefined via the redefinitions of the meter at the 17th CGPM Meeting in 1983, resolution 1 and the kilogram at the 26th CGPM Meeting (2018), resolution 1. resources: - relation: "Definition at the 14th CGPM Meeting (1971)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/14-1971" - relation: "Redefinition of the metre at the 17th CGPM meeting (1983), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/17-1983/resolution-1" - relation: "Redefinition of the kilogram at the 26th CGPM Meeting (2018), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/26-2018/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Siemens_(unit)" defining-relation: base-units: - symbol: "A" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/ampere" - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "A^2*kg^-1*m^-2*s^3" standard: name: "si" year: 2019 category: "named" symbol: "S" x-optimade-definition: label: "siemens_si_2019_named" kind: "unit" format: "1.2" version: "1.2.0" name: "siemens" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/accepted/0000775000200400020040000000000015112031047031552 5ustar andriusandrius././@LongLink0000644000000000000000000000015600000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/accepted/tonne.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/accepted/t0000644000200400020040000000327515112031047031745 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/accepted/tonne" title: "tonne" symbol: "t" display-symbol: "t" alternate-symbols: - "t" description: |- A unit of mass defined as 1000 kg, with kilogram defined according to the 2019 SI units. The International System of Units (SI), 1st ed. (1970) defines the tonne as "1 t = 10³ kg" with the footnote "The symbol and the unit was defined in resolution 7 at the 9th meeting of the C.G.P.M. (1948)." In the 2019 implicit redefinition of the tonne, the kilogram in the definition refers to the 2019 kilogram SI base unit (https://schema.optimade.org/units/si/2019/named/kilogram). - The International System of Units (SI), 1st ed. (1970) categorizes the unit as "Units used with the International System" - The International System of Units (SI), 3rd ed. (19) changes the reference of the definition to the 1879 meeting of the CIPM page 41. - The International System of Units (SI), 6th ed. (1991) further adds "In some English-speaking countries this unit is called ≪metric ton≫." resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Tonne" defining-relation: base-units: - symbol: "kg" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/base/kilogram" base-units-expression: "kg" scale: exponent: 3 x-optimade-definition: label: "tonne_si_2019_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "tonne" ././@LongLink0000644000000000000000000000017100000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/accepted/astronomicalunit.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/accepted/a0000644000200400020040000000265415112031047031722 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/accepted/astronomicalunit" title: "astronomical unit" symbol: "au" display-symbol: "au" description: |- A unit defined as exactly 149597870700 meters which is meant to represent the mean distance between the Earth and the Sun using the SI 1983 meter. The International System of Units (SI), 9th ed. (2019) changed the definition of the astronomical unit given in prior editions into: "1 au = 149 597 870 700 m" with the footnote "As decided at the XXVIII General Assembly of the International Astronomical Union (Resolution B2, 2012)." The International System of Units (SI), 9th ed. (2019) categorizes the astronomical unit as a "non-SI unit accepted for use with the SI units". resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Astronomical_unit" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1983/base/metre" base-units-expression: "m" scale: numerator: 149597870700 x-optimade-definition: label: "astronomicalunit_si_2019_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "astronomicalunit" ././@LongLink0000644000000000000000000000016500000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/accepted/electronvolt.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/2019/accepted/e0000644000200400020040000000372715112031047031730 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/accepted/electronvolt" title: "electron volt" symbol: "eV" display-symbol: "eV" description: |- A unit of energy equal to the amount of kinetic energy acquired by an electron as it accelerates through a 1 volt potential difference in a vacuum using the 2019 SI units. The electronvolt unit appears in the International System of Units (SI), 1st ed. (1970) defined as "1 electronvolt is the energy acquired by an electron after traversing a potential difference of 1 V in a vacuum; 1 eV = 1.60219×10⁻¹⁹ J approximately." This definition makes the unit equal to 1 volt times the value of the elementary charge. In the 2019 redefinition of the SI units the elementary charge is exactly 1.602176634·10⁻¹⁹ C, making the electron volt exactly equal to 1.602176634·10⁻¹⁹ J. The International System of Units (SI), 9th ed. (2019) accordingly notes the exact relationship with the SI 2019 derived unit joule as "1 eV = 1.602176634·10⁻¹⁹ J" but retains the definition from 1970 in a footnote. The unit is categorized in the International System of Units (SI), 9th ed. (2019) as "Non-SI units accepted for use with the SI units". resources: - relation: "Definition in the International System of Units (SI), 9th Edition" resource-id: "https://www.bipm.org/en/publications/si-brochure" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Electronvolt" approximate-relations: - base-units: - symbol: "V" id: "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/volt" - symbol: "e" id: "https://schemas.optimade.org/defs/v1.2/constants/codata/2018/electromagnetic/elementarycharge" base-units-expression: "e*V" x-optimade-definition: label: "electronvolt_si_2019_accepted" kind: "unit" format: "1.2" version: "1.2.0" name: "electronvolt" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1979/0000775000200400020040000000000015112031047030020 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1979/base/0000775000200400020040000000000015112031047030732 5ustar andriusandrius././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1979/base/candela.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1979/base/cande0000644000200400020040000000422715112031047031732 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1979/base/candela" title: "candela" symbol: "cd" display-symbol: "cd" description: |- The SI base unit of luminous intensity in a given direction defined from the luminous intensity of monochromatic radiation at a specific frequency and radiant intensity at the 16th CGPM Meeting in 1979. "The candela is the luminous intensity, in a given direction, of a source that emits monochromatic radiation of frequency 540×10¹² hertz and that has a radiant intensity in that direction of 1/683 watt per steradian." [16th CGPM Meeting (1979), resolution 3]. The hertz, watt, and steradian units referenced in this definition are: - the SI 1967 derived hertz unit (https://schemas.optimade.org/defs/v1.2/units/si/1967/named/hertz) equal to second⁻¹, referencing the SI 1967 base unit second (https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second). - the SI 1967 derived watt unit (https://schemas.optimade.org/defs/v1.2/units/si/1967/named/watt) equal to kilogram·meter²·second⁻³, referencing the SI 1960 base unit kilogram (https://schemas.optimade.org/defs/v1.2/units/si/1960/base/kilogram) and metre (https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre); and the 1967 base unit second (https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second). - the SI 1960 supplementary unit steradian (https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/steradian). resources: - relation: "Redefinition of the candela at the 16th CGPM Meeting in 1979, resolution 3." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/16-1979/resolution-3" - relation: "Previous definition at the 13th CGPM meeting (1967)" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-5" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Candela" standard: name: "si" year: 1979 category: "base" symbol: "cd" x-optimade-definition: label: "candela_si_1979_base" kind: "unit" format: "1.2" version: "1.2.0" name: "candela" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1979/named/0000775000200400020040000000000015112031047031104 5ustar andriusandrius././@LongLink0000644000000000000000000000015300000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1979/named/lumen.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1979/named/lume0000644000200400020040000000345415112031047031775 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1979/named/lumen" title: "lumen" symbol: "lm" display-symbol: "lm" description: |- A derived SI unit for luminous flux equal to cd·sr using the 1983 SI units. "The lumen is the luminous flux emitted in a steradian by a uniform point source with a luminous intensity of one candela." [9th CGPM meeting in 1946] The lumen was defined at the 9th CGPM meeting in 1946, implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1, and the redefinition of the candela at the 16th CGPM Meeting in 1979, resolution 3. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the candela at the 16th CGPM Meeting in 1979, resolution 3." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/16-1979/resolution-3" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Lumen_(unit)" defining-relation: base-units: - symbol: "cd" id: "https://schemas.optimade.org/defs/v1.2/units/si/1979/base/candela" - symbol: "sr" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/steradian" base-units-expression: "cd*sr" standard: name: "si" year: 1979 category: "named" symbol: "lm" x-optimade-definition: label: "lumen_si_1979_named" kind: "unit" format: "1.2" version: "1.2.0" name: "lumen" ././@LongLink0000644000000000000000000000015100000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1979/named/lux.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1979/named/lux.0000644000200400020040000000360515112031047031717 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1979/named/lux" title: "lux" symbol: "lx" display-symbol: "lx" description: |- A derived SI unit for illuminance equal to cd⋅sr⋅m⁻² in the 1979 SI units. "The lux is the illuminance of a surface that receives a uniformly distributed luminous flux of one lumen per square meter." [9th CGPM meeting in 1946] The lux was defined at the 9th CGPM meeting in 1946, and implicitly redefined via the redefinition of the second at the 13th CGPM Meeting in 1967, resolution 1 and the redefinition of the candela at the 16th CGPM Meeting in 1979, resolution 3. resources: - relation: "Definition and establishment of the SI unit system at the 11th CGPM meeting (1960), resolution 12." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/11-1960/resolution-12" - relation: "Redefinition of the candela at the 16th CGPM Meeting in 1979, resolution 3." resource-id: "https://www.bipm.org/en/committees/cg/cgpm/16-1979/resolution-3" - relation: "Redefinition of the second in the 13th CGPM Meeting (1967), resolution 1" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/13-1967/resolution-1" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Lux" defining-relation: base-units: - symbol: "cd" id: "https://schemas.optimade.org/defs/v1.2/units/si/1979/base/candela" - symbol: "sr" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/supplementary/steradian" - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" base-units-expression: "cd*m^-2*sr" standard: name: "si" year: 1979 category: "named" symbol: "lx" x-optimade-definition: label: "lux_si_1979_named" kind: "unit" format: "1.2" version: "1.2.0" name: "lux" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1979/named/sievert.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/si/1979/named/siev0000644000200400020040000000255715112031047032004 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/si/1979/named/sievert" title: "sievert" symbol: "Sv" display-symbol: "Sv" description: |- A derived SI unit for equivalent dose of ionizing radiation equal to J·kg⁻¹ (m²·s⁻²) using the 1967 SI base units, defined at the 16th CGPM meeting in 1979. "The 16th Conférence Générale des Poids et Mesures, [...] adopts the special name sievert, symbol Sv, for the SI unit of dose equivalent in the field of radioprotection. The sievert is equal to the joule per kilogram." [16th CGPM meeting (1979), resolution 5] resources: - relation: "Definition at the 16th CGPM Meeting (1979), resolution 5" resource-id: "https://www.bipm.org/en/committees/cg/cgpm/16-1979/resolution-5" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Sievert" defining-relation: base-units: - symbol: "m" id: "https://schemas.optimade.org/defs/v1.2/units/si/1960/base/metre" - symbol: "s" id: "https://schemas.optimade.org/defs/v1.2/units/si/1967/base/second" base-units-expression: "m^2*s^-2" standard: name: "si" year: 1979 category: "named" symbol: "Sv" x-optimade-definition: label: "sievert_si_1979_named" kind: "unit" format: "1.2" version: "1.2.0" name: "sievert" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/independent/0000775000200400020040000000000015112031047031271 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/independent/1948/0000775000200400020040000000000015112031047031676 5ustar andriusandrius././@LongLink0000644000000000000000000000016000000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/independent/1948/information/OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/independent/1948/i0000775000200400020040000000000015112031047032047 5ustar andriusandrius././@LongLink0000644000000000000000000000017000000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/independent/1948/information/bit.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.2/units/independent/1948/i0000644000200400020040000000225415112031047032052 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" $id: "https://schemas.optimade.org/defs/v1.2/units/independent/1948/information/bit" title: "bit" symbol: "bit" display-symbol: "bit" description: |- A basic unit of digital information representing a single logical state with one of two possible values, defined by Shannon in 1948. "If the base 2 is used the resulting units may be called binary digits, or more briefly bits, a word suggested by J. W. Tukey. A device with two stable positions, such as a relay or a flip-flop circuit, can store one bit of information." ["A Mathematical Theory of Communication", C. E. Shannon, The Bell System Technical Journal 27, 379 (1948)]. resources: - relation: 'Defining paper: "A Mathematical Theory of Communication" by C. E. Shannon, The Bell System Technical Journal, Vol. 27, pp. 379–423 (1948).' resource-id: "https://doi.org/10.1002/j.1538-7305.1948.tb01338.x" - relation: "Wikipedia article describing the unit" resource-id: "https://en.wikipedia.org/wiki/Bit" x-optimade-definition: label: "bit_independent_1948_information" kind: "unit" format: "1.2" version: "1.2.0" name: "bit" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/0000775000200400020040000000000015112031047025633 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/0000775000200400020040000000000015112031047030027 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/0000775000200400020040000000000015112031047031631 5ustar andriusandrius././@LongLink0000644000000000000000000000015000000000000011577 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/common/OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/comm0000775000200400020040000000000015112031047032505 5ustar andriusandrius././@LongLink0000644000000000000000000000017500000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/common/wyckoff_position.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/comm0000644000200400020040000000116015112031047032503 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.3/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.3/properties/optimade/common/wyckoff_position" title: "Wyckoff position" x-optimade-type: "string" x-optimade-definition: label: "wyckoff_position_optimade_common" kind: "property" version: "1.3.0" format: "1.2" name: "wyckoff_position" description: |- The Wyckoff symbol for a site. x-optimade-unit: inapplicable type: - "string" maxLength: 1 enum: ["a", "b", "c", "d", "e", "f", "g", "h", "i", "j", "k", "l", "m", "n", "o", "p", "q", "r", "s", "t", "u", "v", "w", "x", "y", "z", "α"] ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/structures/OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/stru0000775000200400020040000000000015112031047032547 5ustar andriusandrius././@LongLink0000644000000000000000000000020200000000000011575 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/structures/optimization_type.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/stru0000644000200400020040000001040215112031047032544 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.3/properties/optimade/structures/optimization_type" title: "Optimization type" x-optimade-type: "string" x-optimade-definition: label: "optimization_type_optimade_structures" kind: "property" version: "1.3.0" format: "1.2" name: "optimization_type" type: - "string" - "null" description: |- A string that classifies the type of optimization that has resulted in the structural data. If the property is `null` or omitted, no information is provided about the type of optimization used to obtain the structural data. If present and not `null`, the property SHOULD take one of the following values: * `experimental`: the structure results from an optimization or refinement process part of an experimental technique, e.g., minimization of the discrepancy between observed and predicted scattered amplitudes from diffraction data. * `hybrid`: the structure is the result of the combination of an experiment and further optimization based on a reasonable theoretical energy model so that it remains a fair representation of the original experimental structure. For example, experimental structures relaxed using *ab initio* calculations are in this category. Structures where the experimental coordinates are kept, but one or more elements are substituted for other elements, are not included in this category. * `global`: the structure has been optimized using a theoretical technique based on a reasonable energy model in a way that takes into account the global energy surface. The structure has been optimized into the global energy minimum or into a local minimum within an energy range of the global minimum commonly considered for potential metastability (typically on the scale of 100 meV/atom). A common technique for this type of optimization is to construct the convex hull of thermodynamical stability from the known minima and dismiss structures outside the relevant energy range. * `local`: the structure has been optimized using a theoretical technique based on a reasonable energy model into a local minimum of the energy surface. For example, structures relaxed using *ab initio* calculations without consideration of the energy of other minima in configuration space qualify for this category. * `none`: the structure has not undergone an optimization process and is thus, in some sense, arbitrary. Structures of this kind can come from, e.g., randomly generated coordinates or non-equilibrium snapshots. * `indeterminate`: the database declares that the type of optimization used for this specific entry cannot be determined, e.g., because that information is missing. This value represents a stronger statement (that the database knows that the type of optimization is not known) than an omitted classification (i.e., the field is missing or has the value `null`) which communicates that the property is unknown only in the sense discussed in the section `Properties with an unknown value`.) * `other`: the structure is the result of some optimization process, but none of the other categories correctly represents the type of optimization used. Other strings prefixed by a database-specific prefix, e.g., `_exmpl_optimized_on_fixed_grid`, SHOULD NOT be used. Other non-standard strings MUST NOT be used. Clients encountering unrecognized strings SHOULD treat them to mean the same as the field having the value `"other"`. Structures produced by AI models and other techniques that have been reasonably tested to reliably generate results equivalent to structural optimization using energy models SHOULD be classified the same as if that type of energy model had been used. **Explained examples**: - For a structure entry directly encoding structural information obtained from a neutron diffraction experiment: `"experimental"`. - For a structure entry that encodes the structural information from a theoretical relaxation of an `"experimental"` entry using computational software that implements density functional theory: `"hybrid"`. examples: - experimental - hybrid x-optimade-unit: "inapplicable" enum: - experimental - hybrid - global - local - none - indeterminate - other ././@LongLink0000644000000000000000000000022100000000000011576 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/structures/site_coordinate_span_description.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/stru0000644000200400020040000000130515112031047032546 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.3/properties/optimade/structures/site_coordinate_span_description" title: "Site coordinate span description" x-optimade-type: "string" x-optimade-definition: label: "site_coordinate_span_description_optimade_structures" kind: "property" version: "1.3.0" format: "1.2" name: "site_coordinate_span_description" type: - "string" - "null" description: |- Human-readable semi-formal characterization of the coordinate span when the `site_coordinate_span` property has value `other`. examples: - "Two fullerene molecules with a VdW contact." x-optimade-unit: "inapplicable" ././@LongLink0000644000000000000000000000021200000000000011576 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/structures/fractional_site_positions.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/stru0000644000200400020040000000442715112031047032556 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.3/properties/optimade/structures/fractional_site_positions" title: "Fractional site positions" x-optimade-type: "list" x-optimade-definition: label: "fractional_site_positions_optimade_structures" kind: "property" version: "1.3.0" format: "1.2" name: "fractional_site_positions" x-optimade-dimensions: names: ["dim_sites", "dim_spatial"] sizes: [null, 3] type: - "array" - "null" description: |- Fractional coordinates (positions) of each site in the structure. A site is usually used to describe positions of atoms; what atoms can be encountered at a given site is conveyed by the `species_at_sites` property, and the species themselves are described in the `species` property. Site coordinates MAY be given as `cartesian_site_positions`, `fractional_site_positions`, or both. When symmetry operations given in `space_group_symmetry_operations_xyz` are applied, they MUST be applied to coordinates given in the `fractional_site_positions` array. **Requirements/Conventions**: - It MUST be a list of length equal to the number of sites in the structure, where every element is a list of the three fractional coordinates of a site expressed as float values in the fractions of the unit cell vectors given by the `lattice_vectors` property. - An entry MAY have multiple sites at the same site position (for a relevant use of this, see e.g., the property `assemblies`). - Since both `cartesian_site_positions` and the `fractional_site_positions` always describe the same sites, they MUST always have the same number of elements, equal to the number of elements in the `species_at_sites` array. **Explained examples**: - `[[0,0,0],[0,0,0.2]]` indicates a structure with two sites, one sitting at the origin and one along the third unit cell axis (*c*-axis), 1/5-th (0.2) of the vector *c* in the direction of the vector *c* from the origin. examples: - [[0,0,0],[0,0,0.2]] x-optimade-unit: "inapplicable" items: x-optimade-type: "list" x-optimade-dimensions: names: ["dim_spatial"] sizes: [3] type: - "array" x-optimade-unit: "inapplicable" items: x-optimade-type: "float" type: - "number" x-optimade-unit: "dimensionless" ././@LongLink0000644000000000000000000000020200000000000011575 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/structures/wyckoff_positions.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/stru0000644000200400020040000000245715112031047032557 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.3/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.3/properties/optimade/structures/wyckoff_positions" title: "Wyckoff positions" x-optimade-type: "list" x-optimade-definition: label: "wyckoff_positions_optimade_structures" kind: "property" version: "1.3.0" format: "1.2" name: "wyckoff_positions" x-optimade-dimensions: names: ["dim_sites"] type: - "array" - "null" description: |- A list of Wyckoff symbols of sites (where values for sites are specified with the same order of the property `cartesian_site_positions` and/or `fractional_site_positions`). **Requirements/Conventions**: - MUST have length equal to the number of sites in the structure (first dimension of the list properties `cartesian_site_positions` and/or `fractional_site_positions`). - If provided, MUST list a single letter (`a`-`z` or `α`) Wyckoff position for each site in the structure according to the International Tables for Crystallography vol. A (IUCr, 2016). **Bibliographic References**: - IUCr (2016). International Tables for Crystallography vol. A. Space-group Symmetry, Ed. M. I. Aroyo, 6-th edition. Chichester, John Wiley & Sons. x-optimade-unit: "inapplicable" items: $$inherit: "/v1.3/properties/optimade/common/wyckoff_position" ././@LongLink0000644000000000000000000000020500000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/structures/site_coordinate_span.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/properties/optimade/stru0000644000200400020040000001006315112031047032547 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" $id: "https://schemas.optimade.org/defs/v1.3/properties/optimade/structures/site_coordinate_span" title: "Site coordinate span" x-optimade-type: "string" x-optimade-definition: label: "site_coordinate_span_optimade_structures" kind: "property" version: "1.3.0" format: "1.2" name: "site_coordinate_span" type: - "string" - "null" description: |- Indicates the extent of the material (crystal) described in the response. In particular, properties `cartesian_site_positions` and `fractional_site_positions` MUST contain all sites *belonging* to the described extent. The value of this property MUST be one of the following: * `fundamental_domain`: means that sites described in the response span a fundamental domain (Vinberg, 1994; European Mathematical Society, 2020) of a periodic system. When a server indicates this span in the response, it MUST provide those sites that enable reconstruction of the whole periodic system by applying symmetry operations from `space_group_symmetry_operations_xyz` property and then applying translations given by `lattice_vectors`. The fundamental domain does not need to be a connected space region. * `asymmetric_unit`: all sites are in a simply connected space region that is a fundamental domain, as per IUCr Online Dictionary of Crystallography definition (IUCr, 2017). * `molecular_fundamental_domain`: a fundamental domain where all atoms connected by covalent or donor-acceptor coordination bonds are adjacent to each other, placed at a bond distance. * `molecular_asymmetric_unit`: an asymmetric unit (a simply connected fundamental domain) where all atoms bound by covalent or donor-acceptor coordination bonds are adjacent to each other, placed at a bond distance. * `unit_cell`: a full unit cell of a periodic system (crystal), i.e., any repeating unit chosen by the server defined by the property `lattice_vectors`. For this span, the server MUST provide a set of sites in the response that can be used to reconstruct the whole periodic system (crystal) by simply applying translations from the `lattice_vectors` property to those sites. * `molecular_unit_cell`: same as `unit_cell`, but in addition places atoms that are bound by covalent or coordination bonds at a bond distance from each other. * `molecular_entities`: sets of atoms that are bound by covalent or coordination bonds, as per IUPAC definition of a 'molecular entity'. This set of sites MAY be larger than a fundamental domain. * `other`: any other collection of sites that does not fit the enumerated values above. * `null`: if omitted or `null`, the default value of `site_coordinate_span` is `unit_cell`. This is the assumed behavior of all main implementations before the `site_coordinate_span` definition was introduced. **Note**: In all cases it is RECOMMENDED that only the minimal set of the sites that is needed to reconstruct the whole material is provided. For example, for the 'unit_cell' span the server SHOULD NOT return sites that can be obtained from other returned sites through the translations given in `lattice_vectors`; only a non-redundant set of sites SHOULD be provided. **Bibliographic References**: E.B. Vinberg (originator). (1994) Encyclopedia of Mathematics. ISBN `1402006098 `__, URL: https://encyclopediaofmath.org/index.php?title=Fundamental_domain&oldid=13590 [accessed 2025-04-30T08:55+03:00]. European Mathematical Society (2020). Fundamental domain. Encyclopedia of Mathematics. URL: http://encyclopediaofmath.org/index.php?title=Fundamental_domain&oldid=47023 [accessed 2025-04-30T08:53+03:00]. IUCr (2017). Asymmetric unit. Online Dictionary of Crystallography, URL: https://dictionary.iucr.org/Asymmetric_unit [accessed 2025-04-30T09:01+03:00]. x-optimade-unit: "inapplicable" enum: - fundamental_domain - asymmetric_unit - molecular_fundamental_domain - molecular_asymmetric_unit - unit_cell - molecular_unit_cell - molecular_entities - other OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/standards/0000775000200400020040000000000015112031047027616 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/standards/optimade.yaml0000644000200400020040000000150715112031047032305 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/standard_definition" $id: "https://schemas.optimade.org/defs/v1.3/standards/optimade" title: "OPTIMADE standard" description: "The OPTIMADE standard node types and properties" x-optimade-definition: label: "optimade_standard" kind: "standard" format: "1.2" version: "1.3.0" name: "optimade" entrytypes: structures: $$inherit: "/v1.3/entrytypes/optimade/structures" x-optimade-requirements: support: "must" calculations: $$inherit: "/v1.3/entrytypes/optimade/calculations" x-optimade-requirements: support: "may" files: $$inherit: "/v1.2/entrytypes/optimade/files" x-optimade-requirements: support: "may" references: $$inherit: "/v1.2/entrytypes/optimade/references" x-optimade-requirements: support: "may" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/entrytypes/0000775000200400020040000000000015112031047030061 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/entrytypes/optimade/0000775000200400020040000000000015112031047031663 5ustar andriusandrius././@LongLink0000644000000000000000000000016200000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/entrytypes/optimade/calculations.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/entrytypes/optimade/calc0000644000200400020040000000404515112031047032511 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/entrytype_definition" $id: "https://schemas.optimade.org/defs/v1.3/entrytypes/optimade/calculations" title: "calculations" description: |- The calculations entry type describes calculations. Related `files` entries specified as relationships list files used or produced by a calculation. They MAY be defined as either input or output files by the `role` field inside the `meta` dictionary of the JSON:API resource identifier object. The allowed values are `input` for input files and `output` for output files. If the `role` field is not provided or the value is set to `null`, a default role SHOULD NOT be assumed. It is RECOMMENDED to order the output files in the list of calculation's relationships in a way that prioritizes the files most likely to contain details which could be used to automatically analyze the performed calculation. Such an approach minimizes the number of calculation output files that need to be analyzed to possibly identify the code, type and parameters of the performed calculation. x-optimade-definition: label: "calculations_entrytype_optimade" kind: "entrytype" format: "1.2" version: "1.3.0" name: "calculations" type: object properties: id: $$inherit: "/v1.2/properties/optimade/files/id" x-optimade-requirements: support: "must" sortable: false query-support: "all mandatory" response-level: "always" type: $$inherit: "/v1.2/properties/optimade/files/type" x-optimade-requirements: support: "must" sortable: false query-support: "all mandatory" response-level: "always" immutable_id: $$inherit: "/v1.2/properties/optimade/files/immutable_id" x-optimade-requirements: support: "may" sortable: false query-support: "all mandatory" response-level: "may" last_modified: $$inherit: "/v1.2/properties/optimade/files/last_modified" x-optimade-requirements: support: "should" sortable: false query-support: "all mandatory" response-level: "must" ././@LongLink0000644000000000000000000000016000000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/entrytypes/optimade/structures.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/defs/v1.3/entrytypes/optimade/stru0000644000200400020040000001676615112031047032621 0ustar andriusandrius$$schema: "https://schemas.optimade.org/meta/v1.2/optimade/entrytype_definition" $id: "https://schemas.optimade.org/defs/v1.3/entrytypes/optimade/structures" title: "structures" description: "The structures entry type describes a crystal structure via its unit cell" x-optimade-definition: label: "structures_entrytype_optimade" kind: "entrytype" format: "1.2" version: "1.3.0" name: "structures" type: object properties: id: $$inherit: "/v1.2/properties/optimade/structures/id" x-optimade-requirements: support: "must" sortable: false query-support: "all mandatory" response-level: "always" type: $$inherit: "/v1.2/properties/optimade/structures/type" x-optimade-requirements: support: "must" sortable: false query-support: "all mandatory" response-level: "always" immutable_id: $$inherit: "/v1.2/properties/optimade/structures/immutable_id" x-optimade-requirements: support: "may" sortable: false query-support: "all mandatory" response-level: "may" last_modified: $$inherit: "/v1.2/properties/optimade/structures/last_modified" x-optimade-requirements: support: "should" sortable: false query-support: "all mandatory" response-level: "must" elements: $$inherit: "/v1.2/properties/optimade/structures/elements" x-optimade-requirements: support: "should" sortable: false query-support: "all mandatory" response-level: "may" nelements: $$inherit: "/v1.2/properties/optimade/structures/nelements" x-optimade-requirements: support: "should" sortable: false query-support: "all mandatory" response-level: "may" elements_ratios: $$inherit: "/v1.2/properties/optimade/structures/elements_ratios" x-optimade-requirements: support: "should" sortable: false query-support: "all mandatory" response-level: "may" chemical_formula_descriptive: $$inherit: "/v1.2/properties/optimade/structures/chemical_formula_descriptive" x-optimade-requirements: support: "should" sortable: false query-support: "all mandatory" response-level: "may" chemical_formula_reduced: $$inherit: "/v1.2/properties/optimade/structures/chemical_formula_reduced" x-optimade-requirements: support: "should" sortable: false query-support: "equality only" response-level: "may" $comment: "If the database store chemical formulas in another format, it may not be possible to search efficiently for anything except equality." chemical_formula_hill: $$inherit: "/v1.2/properties/optimade/structures/chemical_formula_hill" x-optimade-requirements: support: "may" sortable: false response-level: "may" query-support: "none" chemical_formula_anonymous: $$inherit: "/v1.2/properties/optimade/structures/chemical_formula_anonymous" x-optimade-requirements: support: "should" sortable: false query-support: "equality only" response-level: "may" $comment: "If the database store chemical formulas in another format, it may not be possible to search efficiently for anything except equality." dimension_types: $$inherit: "/v1.2/properties/optimade/structures/dimension_types" x-optimade-requirements: support: "should" sortable: false response-level: "may" query-support: "none" nperiodic_dimensions: $$inherit: "/v1.2/properties/optimade/structures/nperiodic_dimensions" x-optimade-requirements: support: "should" sortable: false response-level: "may" query-support: "all mandatory" lattice_vectors: $$inherit: "/v1.2/properties/optimade/structures/lattice_vectors" x-optimade-requirements: support: "should" sortable: false response-level: "may" query-support: "none" space_group_symmetry_operations_xyz: $$inherit: "/v1.2/properties/optimade/structures/space_group_symmetry_operations_xyz" x-optimade-requirements: support: "may" sortable: false response-level: "may" query-support: "none" space_group_symbol_hall: $$inherit: "/v1.2/properties/optimade/structures/space_group_symbol_hall" x-optimade-requirements: support: "may" sortable: false response-level: "may" query-support: "none" space_group_symbol_hermann_mauguin: $$inherit: "/v1.2/properties/optimade/structures/space_group_symbol_hermann_mauguin" x-optimade-requirements: support: "may" sortable: false response-level: "may" query-support: "none" space_group_symbol_hermann_mauguin_extended: $$inherit: "/v1.2/properties/optimade/structures/space_group_symbol_hermann_mauguin_extended" x-optimade-requirements: support: "may" sortable: false response-level: "may" query-support: "none" space_group_it_number: $$inherit: "/v1.2/properties/optimade/structures/space_group_it_number" x-optimade-requirements: support: "may" sortable: false response-level: "may" query-support: "none" cartesian_site_positions: $$inherit: "/v1.2/properties/optimade/structures/cartesian_site_positions" x-optimade-requirements: support: "should" sortable: false response-level: "may" query-support: "none" fractional_site_positions: $$inherit: "/v1.3/properties/optimade/structures/fractional_site_positions" x-optimade-requirements: support: "should" sortable: false response-level: "may" query-support: "none" site_coordinate_span: $$inherit: "/v1.3/properties/optimade/structures/site_coordinate_span" x-optimade-requirements: support: "should" sortable: false response-level: "may" query-support: "none" site_coordinate_span_description: $$inherit: "/v1.3/properties/optimade/structures/site_coordinate_span_description" x-optimade-requirements: support: "may" sortable: false response-level: "may" query-support: "none" nsites: $$inherit: "/v1.2/properties/optimade/structures/nsites" x-optimade-requirements: support: "should" sortable: false response-level: "may" query-support: "all mandatory" species_at_sites: $$inherit: "/v1.2/properties/optimade/structures/species_at_sites" x-optimade-requirements: support: "should" sortable: false response-level: "may" query-support: "none" species: $$inherit: "/v1.2/properties/optimade/structures/species" x-optimade-requirements: support: "should" sortable: false response-level: "may" query-support: "none" assemblies: $$inherit: "/v1.2/properties/optimade/structures/assemblies" x-optimade-requirements: support: "may" sortable: false response-level: "may" query-support: "none" wyckoff_positions: $$inherit: "/v1.3/properties/optimade/structures/wyckoff_positions" x-optimade-requirements: support: "may" sortable: false response-level: "may" query-support: "none" structure_features: $$inherit: "/v1.2/properties/optimade/structures/structure_features" x-optimade-requirements: support: "must" sortable: false response-level: "may" query-support: "all mandatory" optimization_type: $$inherit: "/v1.3/properties/optimade/structures/optimization_type" x-optimade-requirements: support: "may" sortable: false response-level: "may" query-support: "none" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/0000775000200400020040000000000015112031047025151 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/0000775000200400020040000000000015112031047025637 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/common/0000775000200400020040000000000015112031047027127 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/common/symbol_list.yaml0000644000200400020040000000113115112031047032345 0ustar andriusandrius$schema: "https://json-schema.org/draft/2020-12/schema" $id: "https://schemas.optimade.org/meta/v1.2/common/symbol_list" title: "symbol list" description: "A list of dictionaries that associate and id with a symbol" items: additionalProperties: False patternProperties: "^_": {} properties: id: description: "The IRI of one of the referenced entity." format: "uri" type: string symbol: description: "The symbol used to reference this entity." pattern: ^[a-zA-Z_][a-zA-Z_0-9]*$ type: string required: - symbol - id type: object type: array ././@LongLink0000644000000000000000000000014600000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/common/resource_list.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/common/resource_list.yam0000644000200400020040000000134615112031047032523 0ustar andriusandrius$schema: "https://json-schema.org/draft/2020-12/schema" $id: "https://schemas.optimade.org/meta/v1.2/common/resource_list" title: "resource list" description: "A list of dictionaries that describe and reference remote resources." type: array items: patternProperties: "^x-(?!optimade-)": {} additionalProperties: False properties: relation: description: |- A human-readable description of the resource and what is being referenced in the resource, e.g., a "natural language description". type: string resource-id: description: |- An IRI of the external resource (which MAY be a resolvable URL). type: string format: "iri" required: - relation - resource-id type: object OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/common/id_field.yaml0000644000200400020040000000030115112031047031542 0ustar andriusandrius$schema: "https://json-schema.org/draft/2020-12/schema" $id: "https://schemas.optimade.org/meta/v1.2/common/id_field" title: "ID" description: "An IRI that is an ID" type: string format: "iri" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/0000775000200400020040000000000015112031047027441 5ustar andriusandrius././@LongLink0000644000000000000000000000016600000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/x-optimade-definition-field.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/x-optimade-defi0000644000200400020040000000331215112031047032335 0ustar andriusandrius$schema: "https://json-schema.org/draft/2020-12/schema" $id: "https://schemas.optimade.org/meta/v1.2/optimade/x-optimade-definition-field" type: object required: ["kind", "format", "name", "label"] properties: label: type: string description: |- An expanded version of the name that clarifies its context sufficiently to be unique within definitions issued together as a set. pattern: ^[a-z_][a-z_0-9]*$ name: type: string description: |- Gives the definition a short name. pattern: ^[a-z_][a-z_0-9]*$ kind: type: string description: |- Specifies the kind of Property Definition. enum: ["property", "unit", "constant", "prefix", "entrytype", "unitsystem", "standard"] format: description: |- Specifies the minor version of the Property Definitions format that the definition is expressed in. This field MUST be included in standalone definitions, i.e., when they are not embedded inside other definitions or contexts that already declares a Property Definitions format. pattern: ^[0-9]+\.[0-9]+$ version: description: |- The version string of the referenced standard. The string SHOULD be in the format described by the [semantic versioning v2](https://semver.org/spec/v2.0.0.html) standard. pattern: ^(0|[1-9]\d*)\.(0|[1-9]\d*)\.(0|[1-9]\d*)(?:-((?:0|[1-9]\d*|\d*[a-zA-Z-][0-9a-zA-Z-]*)(?:\.(?:0|[1-9]\d*|\d*[a-zA-Z-][0-9a-zA-Z-]*))*))?(?:\+([0-9a-zA-Z-]+(?:\.[0-9a-zA-Z-]+)*))?$ $comment: "This pattern is the suggested regular expression from: https://semver.org/spec/v2.0.0.html" type: string resources: $$inherit: "/v1.2/common/resource_list" patternProperties: "^x-(?!optimade-)": {} additionalProperties: false ././@LongLink0000644000000000000000000000015600000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/property_definition.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/property_defini0000644000200400020040000004442115112031047032571 0ustar andriusandrius$schema: "https://json-schema.org/draft/2020-12/schema" $id: "https://schemas.optimade.org/meta/v1.2/optimade/property_definition" title: "OPTIMADE property definition schema" type: object allOf: - $ref: "#/$defs/property_definition_field" - required: ["$id", "$schema", "title", "description", "x-optimade-definition"] $$inherit: "physical_unit_definition" $defs: id_field: $$inherit: "/v1.2/common/id_field" property_definition_field: required: ["type", "x-optimade-type", "x-optimade-unit"] anyOf: - type: object required: ["properties"] properties: type: enum: [["object"],["object", "null"]] enum: type: "array" items: type: "object" examples: type: "array" items: type: "object" - type: object required: ["type", "items"] properties: type: enum: [["array"],["array", "null"]] enum: type: "array" items: type: "array" examples: type: "array" items: type: "array" - type: object required: ["type"] properties: type: enum: [["integer"],["integer", "null"]] multipleOf: type: "integer" maximum: type: "integer" exclusiveMaximum: type: "integer" minimum: type: "integer" exclusiveMinimum: type: "integer" enum: type: "array" items: type: "integer" examples: type: "array" items: type: "integer" - type: object required: ["type"] properties: type: enum: [["number"],["number", "null"]] multipleOf: type: "number" maximum: type: "number" exclusiveMaximum: type: "number" minimum: type: "number" exclusiveMinimum: type: "number" enum: type: "array" items: type: "number" examples: type: "array" items: type: "number" - type: object required: ["type"] properties: type: enum: [["string"],["string", "null"]] enum: type: "array" items: type: "string" examples: type: "array" items: type: "string" - type: object required: ["type"] properties: type: enum: [["boolean"],["boolean", "null"]] enum: type: "array" items: type: "boolean" examples: type: "array" items: type: "boolean" properties: type: description: |- Specifies the corresponding JSON type for this level of the defined property and whether the property can be `null` or not. The value is directly correlated with `x-optimade-type` (cf. the `definition of the x-optimade-type field`). It MUST be a list of one or two elements where the first element is a string correlated with `x-optimade-type` as follows; if `x-optimade-type` is: * `"boolean"`, `"string"`, or `"integer"` then `type` is the same string. * `"dictionary"` then `type` is `"object"`. * `"list"` then `type` is `"array"`. * `"float"` then `type` is `"number"`. * `"timestamp"` then `type` is `"string"`. If the second element is included, it MUST be the string `"null"`. This two element form specifies that the defined property can be `null`. type: array enum: [["object"],["object", "null"],["array"],["array", "null"],["integer"],["integer", "null"],["number"],["number", "null"],["string"],["string", "null"],["boolean"],["boolean", "null"]] items: type: string properties: description: |- Gives key-value pairs where each value is an inner Property Definition. The defined property is a dictionary that can only contain keys present in this dictionary, and, if so, the corresponding value is described by the respective inner Property Definition. (Or, if the type field is the list "object" and "null", it can also be null.) type: object additionalProperties: $ref: '#/$defs/property_definition_field' required: description: |- The defined property MUST have keys that match all the strings in this list. Other keys present in the properties field are OPTIONAL in the defined property. If not present or empty, all keys in properties are regarded as OPTIONAL. type: "array" items: type: string uniqueItems: true maxProperties: description: |- The defined property is a dictionary where the number of keys MUST be less than or equal to the number given. type: "integer" minimum: 0 minProperties: description: |- The defined property is a dictionary where the number of keys MUST be greater than or equal to the number given. type: "integer" minimum: 0 dependentRequired: description: |- The dictionary keys are strings and the values are lists of unique strings. If the defined property has a key that is equal to a key in the given dictionary, the defined property MUST also have keys that match each of the corresponding values. No restriction is inferred from this field for keys in the defined property that do not match any key in the given dictionary. type: "object" additionalProperties: type: "array" items: type: "string" uniqueItems: true enum: description: "The defined property MUST take one of the values given in the provided list." type: "array" items: $comment: "Must validate against the Property Definition itself, but there is no easy way to express that in the schema." examples: description: "A list of example values that the defined property can have." type: "array" items: $comment: "Must validate against the Property Definition itself, but there is no easy way to express that in the schema." items: allOf: - $ref: '#/$defs/property_definition_field' - description: |- The defined property is a list where each item MUST match this inner Property Definition. uniqueItems: description: "If TRUE, the defined property is an array that MUST only contain unique items. If FALSE, this field sets no limitation on the defined property." type: "boolean" multipleOf: description: |- An integer is strictly greater than 0. The defined property MUST have a value that when divided by the given number results in an integer (i.e., it must be even divisible by this value without a fractional part). type: ["integer", "number"] exclusiveMinimum: 0 maximum: description: "The defined property MUST be less than or equal to the given value." type: ["integer","number"] exclusiveMaximum: description: "The defined property MUST be strictly less than the given value; it cannot be equal." type: ["integer","number"] minimum: description: "The defined property MUST be greater than or equal to the given value." type: ["integer","number"] exclusiveMinimum: description: "The defined property MUST be strictly greater than the given value; it cannot be equal." type: ["integer","number"] maxLength: description: |- The defined property is a string that MUST have a length that is less than or equal to the given integer. (The length of the string is the number of individual Unicode characters it is composed of.) type: "integer" minimum: 0 minLength: description: |- The defined property is a string that MUST have a length that is less than or equal to the given integer. (The length of the string is the number of individual Unicode characters it is composed of.) type: "integer" minimum: 0 format: description: |- Choose one of the following values to indicate that the defined property is a string that MUST adhere to the specified format: - "date-time": the date-time production in RFC 3339 section 5.6. - "date": the full-date production in RFC 3339 section 5.6. - "time": the full-time production in RFC 3339 section 5.6. - "duration": the duration production in RFC 3339 Appendix A. - "email": the "Mailbox" ABNF rule in RFC 5321 section 4.1.2. - "uri": a string instance is valid against this attribute if it is a valid URI according to RFC 3986. - "iri": a string instance is valid against this attribute if it is a valid IRI according to RFC 3987. type: "string" enum: ["date-time", "date", "time", "duration", "email", "uri", "iri"] "$id": allOf: - $ref: '#/$defs/id_field' - description: |- A static IRI identifier that is a URN or URL representing the specific version of this level of the defined property. (If it is a URL, clients SHOULD NOT assign any interpretation to the response when resolving that URL.) It SHOULD NOT be changed as long as the property definition remains the same, and SHOULD be changed when the property definition changes. Property Definitions SHOULD be regarded as the same if they only differ by: - The inclusion or omission of "null" in the type in the outermost layer of the definition. - Additions of annotating notes to end of the description field. - Changes to the following specific fields at any level: deprecated, examples, $comment, x-optimade-implementation, and x-optimade-requirements. "$schema": description: |- A normalized URI for a meta-schema that validates the Property Definition. This SHOULD be https://schemas.optimade.org/meta/{OPTIMADE_VERSION}/optimade/physical_unit_definition.json title: description: |- A short single-line human-readable explanation of the defined property appropriate to show as part of a user interface. type: string description: description: |- A human-readable multi-line description that explains the purpose, requirements, and conventions of the defined property. The format SHOULD be a one-line description, followed by a new paragraph (two newlines), followed by a more detailed description of all the requirements and conventions of the defined property. Formatting in the text SHOULD use Markdown in the CommonMark v0.3 format, with mathematical expressions written to render correctly with the LaTeX mode of Mathjax 3.2 . When possible, it is preferable for mathematical expressions to use as straightforward notation as possible to make them readable also when not rendered. Additions appended to the end of the description field that are clearly marked as notes that clarify the definition without changing it are viewed as annotations to the Property Definition rather than an integral part of it. Such annotations SHOULD only be added to the end of an otherwise unmodified description and MUST NOT change the meaning or interpretation of the text above them. The purpose is to provide a way to add explanations and clarifications to a definition without having to regard it as a new definition. For example, these annotations to the description MAY be used to explain why a definition has been deprecated. type: string x-optimade-definition: $$inherit: "x-optimade-definition-field" label: "property_definition_meta" kind: "meta" version: "1.2.1" format: "1.2" name: "property_definition" x-optimade-dimensions: description: |- Specification of the dimensions of one or multi-dimensional data represented as multiple levels of lists. Each dimension is given a name and optionally a fixed size. It was decided that OPTIMADE Property Definitions cannot use the JSON Schema validating fields minItems and maxItems since that would require reprocessing the schema to handle requests asking for only parts of the data in the lists. Instead, provide information on the length of a list for an implementation to validate. This is communicated in the `sizes` subfield of this field. At this time, `sizes` can only specify a fixed length requirement. type: object additionalProperties: false patternProperties: "^x-(?!optimade-)": {} properties: names: description: |- A list of names of the dimensions of the underlying one or multi-dimensionsional data represented as mutiple levels of lists. The order is that the first name applies to the outermost list, the next name to the lists embedded in that list, etc. type: array items: type: string sizes: description: |- A list of fixed length requirements on the underlying one or multi-dimensionsional data represented as mutiple levels of lists. The order is that the first name applies to the outermost list, the next name to the lists embedded in that list, etc. The data only validates if the respective level consists of lists of exactly this length. A value of `null` allows arbitrary-length lists at the corresponding level. type: array items: type: - "integer" - "null" x-optimade-unit-definitions: type: array items: allOf: - $ref: "#/$defs/unit_entity_definition_field" - required: ['title', 'symbol', 'display-symbol', 'description'] x-optimade-type: type: string enum: - string - integer - float - boolean - timestamp - list - dictionary x-optimade-unit: type: string x-optimade-implementation: additionalProperties: false patternProperties: "^x-(?!optimade-)": {} properties: query-support: enum: - all mandatory - equality only - partial - none type: string query-support-operators: items: enum: - '<' - '<=' - '>' - '>=' - '=' - '!=' - 'CONTAINS' - 'STARTS WITH' - 'ENDS WITH' - 'HAS' - 'HAS ALL' - 'HAS ANY' - 'HAS ONLY' - 'IS KNOWN' - 'IS UNKNOWN' type: string type: array response-level: enum: - "always" - "yes" - "no" sortable: type: boolean "$comment": type: string type: object x-optimade-requirements: additionalProperties: false patternProperties: "^x-(?!optimade-)": {} properties: query-support: enum: - all mandatory - equality only - partial - none type: string query-support-operators: items: enum: - '<' - '<=' - '>' - '>=' - '=' - '!=' - 'CONTAINS' - 'STARTS WITH' - 'ENDS WITH' - 'HAS' - 'HAS ALL' - 'HAS ANY' - 'HAS ONLY' - 'IS KNOWN' - 'IS UNKNOWN' type: string type: array response-level: enum: - always - must - should - may - should not - must not type: string sortable: type: boolean support: enum: - must - should - may type: string "$comment": type: string type: object x-optimade-metadata-definition: description: |- A dictionary that is a property definition of a dictionary-type property that defines all metadata properties. allOf: - $ref: '#/$defs/property_definition_field' - properties: type: enum: - ["object", "null"] "$comment": description: |- A human-readable comment relevant in the context of the raw definition data. These comments should normally not be shown to the end users. Comments pertaining to the Property Definition that are relevant to end users should go into the field description. Formatting in the text SHOULD use Markdown using the format described in the definition of the description field. This field is an annotation rather than an integral part of the Property Definition. Property Definitions that only differ by fields that are considered annotations are to be considered the same, and as explained in the definition of the $id field SHOULD share the same $id. type: string deprecated: description: |- If TRUE, implementations SHOULD not use the defined property, and it MAY be removed in the future. If FALSE, the defined property is not deprecated. The field not being present means FALSE. This field is an annotation rather than an integral part of the Property Definition. Property Definitions that only differ by fields that are considered annotations are to be considered the same, and as explained in the definition of the $id field SHOULD share the same $id. type: boolean # Allow database-specific fields additionalProperties: false patternProperties: "^x-(?!optimade-)": {} ././@LongLink0000644000000000000000000000015600000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/constant_definition.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/constant_defini0000644000200400020040000000045615112031047032536 0ustar andriusandrius$schema: "https://json-schema.org/draft/2020-12/schema" $id: "https://schemas.optimade.org/meta/v1.2/optimade/constant_definition" title: "OPTIMADE constant definition schema" description: "Meta-schema for OPTIMADE definitions of mathematical and physical constants." $$inherit: unit_entity_definition ././@LongLink0000644000000000000000000000015400000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/prefix_definition.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/prefix_definiti0000644000200400020040000000044515112031047032535 0ustar andriusandrius$schema: "https://json-schema.org/draft/2020-12/schema" $id: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition" title: "OPTIMADE prefix definition schema" description: "Meta-schema for OPTIMADE definitions of prefixes to be used with units." $$inherit: unit_entity_definition ././@LongLink0000644000000000000000000000015600000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/standard_definition.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/standard_defini0000644000200400020040000000170615112031047032504 0ustar andriusandrius$schema: "https://json-schema.org/draft/2020-12/schema" $id: "https://schemas.optimade.org/meta/v1.2/optimade/standard_definition" title: "OPTIMADE standard definition schema" type: object allOf: - $ref: "#/$defs/standard_definition_field" - required: ["$id", "$schema"] $$inherit: "entrytype_definition" $$keep: ["$defs"] $defs: id_field: $$inherit: "/v1.2/common/id_field" standard_definition_field: type: object additionalProperties: false required: ["x-optimade-definition", "title", "entrytypes"] properties: "$id": $ref: "#/$defs/id_field" "$schema": type: string title: type: string description: type: string x-optimade-definition: $$inherit: "x-optimade-definition-field" properties: kind: const: "standard" entrytypes: type: object additionalProperties: $ref: "#/$defs/entrytype_definition_field" ././@LongLink0000644000000000000000000000015700000000000011606 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/entrytype_definition.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/entrytype_defin0000644000200400020040000000245115112031047032574 0ustar andriusandrius$schema: "https://json-schema.org/draft/2020-12/schema" $id: "https://schemas.optimade.org/meta/v1.2/optimade/entrytype_definition" title: "OPTIMADE entry type definition schema" required: ["$id", "$schema", "x-optimade-definition", "title", "type", "properties"] allOf: - $ref: "#/$defs/entrytype_definition_field" - required: ["$id", "$schema"] $$inherit: "property_definition" $$keep: ['$defs'] $defs: id_field: $$inherit: "/v1.2/common/id_field" entrytype_definition_field: type: object additionalProperties: false required: ["type", "x-optimade-definition", "properties"] properties: "$id": $ref: "#/$defs/id_field" "$schema": type: string type: type: [string, array] enum: ["object", ["object"]] x-optimade-definition: $$inherit: "x-optimade-definition-field" properties: kind: const: "entrytype" x-optimade-requirements: additionalProperties: False properties: support: type: string title: type: string description: type: string properties: type: object additionalProperties: allOf: - $ref: "#/$defs/property_definition_field" - required: ["title", "description"] ././@LongLink0000644000000000000000000000016000000000000011600 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/unitsystem_definition.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/unitsystem_defi0000644000200400020040000000165315112031047032602 0ustar andriusandrius$schema: "https://json-schema.org/draft/2020-12/schema" $id: "https://schemas.optimade.org/meta/v1.2/optimade/unitsystem_definition" title: "OPTIMADE unit system definition schema" type: object required: ["$id", "$schema", "x-optimade-definition", "title"] $$inherit: "physical_unit_definition" $$keep: ["$defs"] $defs: id_field: $$inherit: "/v1.2/common/id_field" properties: "$id": $ref: "#/$defs/id_field" "$schema": type: string type: type: [string, array] enum: ["object", ["object"]] x-optimade-definition: $$inherit: "x-optimade-definition-field" properties: kind: const: "unitsystem" title: type: string description: type: string units: type: object additionalProperties: $ref: "#/$defs/unit_entity_definition_field" prefixes: type: object additionalProperties: $ref: "#/$defs/unit_entity_definition_field" additionalProperties: false ././@LongLink0000644000000000000000000000016100000000000011601 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/unit_entity_definition.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/unit_entity_def0000644000200400020040000002400615112031047032555 0ustar andriusandrius$schema: "https://json-schema.org/draft/2020-12/schema" $id: "https://schemas.optimade.org/meta/v1.2/optimade/unit_entity_definition" title: "OPTIMADE unit entity definition schema" description: "Meta-schema for definitions of physical units, constants, and prefixes." type: object required: ['$id', '$schema', 'x-optimade-definition'] allOf: - $ref: "#/$defs/unit_entity_definition_field" $defs: id_field: $$inherit: "/v1.2/common/id_field" symbol_list: $$inherit: "/v1.2/common/symbol_list" resource_list: $$inherit: "/v1.2/common/resource_list" unit_entity_definition_field: required: ['title', 'symbol', 'display-symbol','description'] additionalProperties: False patternProperties: "^_": {} properties: "$id": allOf: - $ref: "#/$defs/id_field" - description: |- A static IRI identifier that is a URN or URL representing the specific version of the definition. (If it is a URL, clients SHOULD NOT assign any interpretation to the response when resolving that URL.) It SHOULD NOT be changed as long as the definition functionally remains identical, and SHOULD be changed when the definition changes. For example, definitions SHOULD be regarded as the same if they only differ by, e.g.: - Additions or corrections of clarifying or historical notes to the `description` field. - Changes to the fields `deprecated` and `$comment` on any level. Note that this means that the version number part of the URL is *retained* even in newer releases of the OPTIMADE standard as long as the definition remains functionally identical. "$comment": type: string "$schema": description: |- A normalized URI for a meta-schema that validates the definition. approximate-relations: items: patternProperties: "^_": {} additionalProperties: False properties: base-units: allOf: - $ref: "#/$defs/symbol_list" - items: properties: id: description: "The IRI of one of the units referenced in the dimensional formula for the defining relation." symbol: description: "The symbol used to reference this unit in the dimensional formula." base-units-expression: type: string offset: patternProperties: "^_": {} additionalProperties: False properties: standard_uncertainty: type: number value: type: number required: - value type: object scale: patternProperties: "^_": {} additionalProperties: False properties: standard_uncertainty: type: number value: type: number required: - value type: object type: object type: array compatibility: type: array items: $ref: "#/$defs/id_field" defining-relation: description: |- A dictionary that encodes a defining relation to a unit or set of units, with the primary intended use of reproduce the definition of the entity in SI units, if such a relationship exists. Some units, e.g., the atomic mass unit (also known as dalton, commonly denoted `u`), only has an approximate relationship to SI units, in which case the `defining-relation` MUST be omitted or `null`. If the fields in `scale` are designated as `sn`, `sd`, and `se`; and the fields in `offset` are designated as `on`, `od`, and `oe`; and `base-units-expression` is designated as `b`, these fields state the following defining relation: a value `v` multiplied by the unit being defined is equal to the following expression `(v * (sn/sd) * 10**se + (on/od) * 10**oe)*b`, where `*` designates multiplication and `**` designates exponentiation. additionalProperties: False patternProperties: "^_": {} properties: base-units: allOf: - $ref: "#/$defs/symbol_list" - items: properties: id: description: "The IRI of one of the units referenced in the dimensional formula for the defining relation." symbol: description: "The symbol used to reference this unit in the dimensional formula." base-units-expression: description: |- A string expressing the base units part of the defining relation for the unit being defined. A compound unit expression is created by a sequence of constants, prefixes, and unit symbols separated by a single multiplication `*` symbol. Each unit symbol can also be suffixed by a single `^` symbol followed by a positive or negative integer to indicate the power of the preceding unit, e.g., `m^3` for cubic meter, `m^-3` for inverse cubic meter. (Positive integers MUST NOT be preceded by a plus sign.) Furthermore: - No whitespace, parenthesis, or other symbols than specified above are permitted. - The unit symbols MUST appear in alphabetical order. type: string scale: description: |- A dictionary specifying the scale in the defining relation. The four fields `numerator`, `denominator`, `base`, and `exponent` specify the value as the rational number `numerator` / `denominator`, multiplied by `base` to the power of `exponent`. If omitted or `null`, the defaults for the `numerator`, `denominator`, `base` and `exponent` are respectively 1, 1, 10, and 0. patternProperties: "^_": {} additionalProperties: False properties: denominator: type: integer numerator: type: integer exponent: type: integer base: type: integer standard_uncertainty: type: number type: object offset: description: |- The four fields `numerator`, `denominator`, `base`, and `exponent` specify the value as the rational number `numerator` / `denominator`, multiplied by `base` to the power of `exponent`. If omitted or `null`, the defaults for the `numerator`, `denominator`, `base` and `exponent` are respectively 0, 1, 10, and 0. patternProperties: "^_": {} additionalProperties: False properties: denominator: type: integer exponent: type: integer numerator: type: integer base: type: integer standard_uncertainty: type: number type: object type: object description: description: |- A human-readable multiline detailed description of the defined entity. type: string resources: $ref: "#/$defs/resource_list" standard: description: "This field is used to reference a preexisting standard for the defined entity." patternProperties: "^_": {} additionalProperties: False properties: name: description: "The abbreviated name of the standard being referenced." enum: - gnu units - ucum - qudt - si - codata - iso-iec-80000 type: string symbol: description: |- The symbol to use from the referenced standard, expressed according to that standard. The field MAY use mathematical expressions written to render correctly with the LaTeX mode of Mathjax 3.2. This field MAY be different from the symbol being defined via the definition if the unit will be referenced in `x-optimade-unit` fields using a different symbol than the one used in the standard or if the symbol is expressed in the standard in a way that requires mathematical notation. However, if possible, the `symbol` fields SHOULD be the same. type: string year: description: |- The year that the standards organization adopted the definition. type: integer category: description: |- The category that the standards organization have used for the definition. type: string version: description: |- A version string of the referenced standard. type: string required: - name - symbol type: object symbol: description: "Specifies the symbol to be used in `x-optimade-unit` to reference the defined entity." type: string pattern: ^[a-zA-Z_][a-zA-Z_0-9]*$ display-symbol: description: |- The suggested standard typographical symbolic representation of the defined entity. Formatting in the text SHOULD use Markdown in the CommonMark v0.3 format, with mathematical expressions written to render correctly with the LaTeX mode of Mathjax 3.2. type: string alternate-symbols: description: |- A list of other symbols often used for the defined entity. Formatting in the text SHOULD use Markdown in the CommonMark v0.3 format, with mathematical expressions written to render correctly with the LaTeX mode of Mathjax 3.2. type: array items: type: string title: description: "The standard human-readable name of the defined entity." type: string x-optimade-definition: $$inherit: "x-optimade-definition-field" ././@LongLink0000644000000000000000000000016300000000000011603 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/physical_unit_definition.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.2/optimade/physical_unit_d0000644000200400020040000000044315112031047032541 0ustar andriusandrius$schema: "https://json-schema.org/draft/2020-12/schema" $id: "https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition" title: "OPTIMADE physical unit definition schema" description: "Meta-schema for OPTIMADE definitions of physical units." $$inherit: unit_entity_definition OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.3/0000775000200400020040000000000015112031047025640 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.3/optimade/0000775000200400020040000000000015112031047027442 5ustar andriusandrius././@LongLink0000644000000000000000000000015600000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.3/optimade/property_definition.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/meta/v1.3/optimade/property_defini0000644000200400020040000004455315112031047032600 0ustar andriusandrius$schema: "https://json-schema.org/draft/2020-12/schema" $id: "https://schemas.optimade.org/meta/v1.3/optimade/property_definition" title: "OPTIMADE property definition schema" type: object allOf: - $ref: "#/$defs/property_definition_field" - required: ["$id", "$schema", "title", "description", "x-optimade-definition"] $$inherit: "/v1.2/optimade/physical_unit_definition" $defs: id_field: $$inherit: "/v1.2/common/id_field" property_definition_field: required: ["type", "x-optimade-type", "x-optimade-unit"] anyOf: - type: object required: ["properties"] properties: type: enum: [["object"],["object", "null"]] enum: type: "array" items: type: "object" examples: type: "array" items: type: "object" - type: object required: ["type", "items"] properties: type: enum: [["array"],["array", "null"]] enum: type: "array" items: type: "array" examples: type: "array" items: type: "array" - type: object required: ["type"] properties: type: enum: [["integer"],["integer", "null"]] multipleOf: type: "integer" maximum: type: "integer" exclusiveMaximum: type: "integer" minimum: type: "integer" exclusiveMinimum: type: "integer" enum: type: "array" items: type: "integer" examples: type: "array" items: type: "integer" - type: object required: ["type"] properties: type: enum: [["number"],["number", "null"]] multipleOf: type: "number" maximum: type: "number" exclusiveMaximum: type: "number" minimum: type: "number" exclusiveMinimum: type: "number" enum: type: "array" items: type: "number" examples: type: "array" items: type: "number" - type: object required: ["type"] properties: type: enum: [["string"],["string", "null"]] enum: type: "array" items: type: "string" examples: type: "array" items: type: "string" - type: object required: ["type"] properties: type: enum: [["boolean"],["boolean", "null"]] enum: type: "array" items: type: "boolean" examples: type: "array" items: type: "boolean" properties: type: description: |- Specifies the corresponding JSON type for this level of the defined property and whether the property can be `null` or not. The value is directly correlated with `x-optimade-type` (cf. the `definition of the x-optimade-type field`). It MUST be a list of one or two elements where the first element is a string correlated with `x-optimade-type` as follows; if `x-optimade-type` is: * `"boolean"`, `"string"`, or `"integer"` then `type` is the same string. * `"dictionary"` then `type` is `"object"`. * `"list"` then `type` is `"array"`. * `"float"` then `type` is `"number"`. * `"timestamp"` then `type` is `"string"`. * provider-specific data type, then `type` is the JSON type used as a carrier for this data type. If the second element is included, it MUST be the string `"null"`. This two element form specifies that the defined property can be `null`. type: array enum: [["object"],["object", "null"],["array"],["array", "null"],["integer"],["integer", "null"],["number"],["number", "null"],["string"],["string", "null"],["boolean"],["boolean", "null"]] items: type: string properties: description: |- Gives key-value pairs where each value is an inner Property Definition. The defined property is a dictionary that can only contain keys present in this dictionary, and, if so, the corresponding value is described by the respective inner Property Definition. (Or, if the type field is the list "object" and "null", it can also be null.) type: object additionalProperties: $ref: '#/$defs/property_definition_field' required: description: |- The defined property MUST have keys that match all the strings in this list. Other keys present in the properties field are OPTIONAL in the defined property. If not present or empty, all keys in properties are regarded as OPTIONAL. type: "array" items: type: string uniqueItems: true maxProperties: description: |- The defined property is a dictionary where the number of keys MUST be less than or equal to the number given. type: "integer" minimum: 0 minProperties: description: |- The defined property is a dictionary where the number of keys MUST be greater than or equal to the number given. type: "integer" minimum: 0 dependentRequired: description: |- The dictionary keys are strings and the values are lists of unique strings. If the defined property has a key that is equal to a key in the given dictionary, the defined property MUST also have keys that match each of the corresponding values. No restriction is inferred from this field for keys in the defined property that do not match any key in the given dictionary. type: "object" additionalProperties: type: "array" items: type: "string" uniqueItems: true enum: description: "The defined property MUST take one of the values given in the provided list." type: "array" items: $comment: "Must validate against the Property Definition itself, but there is no easy way to express that in the schema." examples: description: "A list of example values that the defined property can have." type: "array" items: $comment: "Must validate against the Property Definition itself, but there is no easy way to express that in the schema." items: allOf: - $ref: '#/$defs/property_definition_field' - description: |- The defined property is a list where each item MUST match this inner Property Definition. uniqueItems: description: "If TRUE, the defined property is an array that MUST only contain unique items. If FALSE, this field sets no limitation on the defined property." type: "boolean" multipleOf: description: |- An integer is strictly greater than 0. The defined property MUST have a value that when divided by the given number results in an integer (i.e., it must be even divisible by this value without a fractional part). type: ["integer", "number"] exclusiveMinimum: 0 maximum: description: "The defined property MUST be less than or equal to the given value." type: ["integer","number"] exclusiveMaximum: description: "The defined property MUST be strictly less than the given value; it cannot be equal." type: ["integer","number"] minimum: description: "The defined property MUST be greater than or equal to the given value." type: ["integer","number"] exclusiveMinimum: description: "The defined property MUST be strictly greater than the given value; it cannot be equal." type: ["integer","number"] maxLength: description: |- The defined property is a string that MUST have a length that is less than or equal to the given integer. (The length of the string is the number of individual Unicode characters it is composed of.) type: "integer" minimum: 0 minLength: description: |- The defined property is a string that MUST have a length that is less than or equal to the given integer. (The length of the string is the number of individual Unicode characters it is composed of.) type: "integer" minimum: 0 format: description: |- Choose one of the following values to indicate that the defined property is a string that MUST adhere to the specified format: - "date-time": the date-time production in RFC 3339 section 5.6. - "date": the full-date production in RFC 3339 section 5.6. - "time": the full-time production in RFC 3339 section 5.6. - "duration": the duration production in RFC 3339 Appendix A. - "email": the "Mailbox" ABNF rule in RFC 5321 section 4.1.2. - "uri": a string instance is valid against this attribute if it is a valid URI according to RFC 3986. - "iri": a string instance is valid against this attribute if it is a valid IRI according to RFC 3987. type: "string" enum: ["date-time", "date", "time", "duration", "email", "uri", "iri"] "$id": allOf: - $ref: '#/$defs/id_field' - description: |- A static IRI identifier that is a URN or URL representing the specific version of this level of the defined property. (If it is a URL, clients SHOULD NOT assign any interpretation to the response when resolving that URL.) It SHOULD NOT be changed as long as the property definition remains the same, and SHOULD be changed when the property definition changes. Property Definitions SHOULD be regarded as the same if they only differ by: - The inclusion or omission of "null" in the type in the outermost layer of the definition. - Additions of annotating notes to end of the description field. - Changes to the following specific fields at any level: deprecated, examples, $comment, x-optimade-implementation, and x-optimade-requirements. "$schema": description: |- A normalized URI for a meta-schema that validates the Property Definition. This SHOULD be https://schemas.optimade.org/meta/{OPTIMADE_VERSION}/optimade/physical_unit_definition.json title: description: |- A short single-line human-readable explanation of the defined property appropriate to show as part of a user interface. type: string description: description: |- A human-readable multi-line description that explains the purpose, requirements, and conventions of the defined property. The format SHOULD be a one-line description, followed by a new paragraph (two newlines), followed by a more detailed description of all the requirements and conventions of the defined property. Formatting in the text SHOULD use Markdown in the CommonMark v0.3 format, with mathematical expressions written to render correctly with the LaTeX mode of Mathjax 3.2 . When possible, it is preferable for mathematical expressions to use as straightforward notation as possible to make them readable also when not rendered. Additions appended to the end of the description field that are clearly marked as notes that clarify the definition without changing it are viewed as annotations to the Property Definition rather than an integral part of it. Such annotations SHOULD only be added to the end of an otherwise unmodified description and MUST NOT change the meaning or interpretation of the text above them. The purpose is to provide a way to add explanations and clarifications to a definition without having to regard it as a new definition. For example, these annotations to the description MAY be used to explain why a definition has been deprecated. type: string x-optimade-definition: $$inherit: "/v1.2/optimade/x-optimade-definition-field" label: "property_definition_meta" kind: "meta" version: "1.2.1" format: "1.2" name: "property_definition" x-optimade-dimensions: description: |- Specification of the dimensions of one or multi-dimensional data represented as multiple levels of lists. Each dimension is given a name and optionally a fixed size. It was decided that OPTIMADE Property Definitions cannot use the JSON Schema validating fields minItems and maxItems since that would require reprocessing the schema to handle requests asking for only parts of the data in the lists. Instead, provide information on the length of a list for an implementation to validate. This is communicated in the `sizes` subfield of this field. At this time, `sizes` can only specify a fixed length requirement. type: object additionalProperties: false patternProperties: "^x-(?!optimade-)": {} properties: names: description: |- A list of names of the dimensions of the underlying one or multi-dimensionsional data represented as mutiple levels of lists. The order is that the first name applies to the outermost list, the next name to the lists embedded in that list, etc. type: array items: type: string sizes: description: |- A list of fixed length requirements on the underlying one or multi-dimensionsional data represented as mutiple levels of lists. The order is that the first name applies to the outermost list, the next name to the lists embedded in that list, etc. The data only validates if the respective level consists of lists of exactly this length. A value of `null` allows arbitrary-length lists at the corresponding level. type: array items: type: - "integer" - "null" x-optimade-unit-definitions: type: array items: allOf: - $ref: "#/$defs/unit_entity_definition_field" - required: ['title', 'symbol', 'display-symbol', 'description'] x-optimade-type: type: string pattern: "^(string|integer|float|boolean|timestamp|list|dictionary|_\\S+_\\S+)$" x-optimade-unit: type: string x-optimade-implementation: additionalProperties: false patternProperties: "^x-(?!optimade-)": {} properties: query-support: enum: - all mandatory - equality only - partial - none type: string query-support-operators: items: enum: - '<' - '<=' - '>' - '>=' - '=' - '!=' - 'CONTAINS' - 'STARTS WITH' - 'ENDS WITH' - 'HAS' - 'HAS ALL' - 'HAS ANY' - 'HAS ONLY' - 'IS KNOWN' - 'IS UNKNOWN' type: string type: array response-level: enum: - "always" - "yes" - "no" sortable: type: boolean "$comment": type: string type: object x-optimade-requirements: additionalProperties: false patternProperties: "^x-(?!optimade-)": {} properties: query-support: enum: - all mandatory - equality only - partial - none type: string query-support-operators: items: enum: - '<' - '<=' - '>' - '>=' - '=' - '!=' - 'CONTAINS' - 'STARTS WITH' - 'ENDS WITH' - 'HAS' - 'HAS ALL' - 'HAS ANY' - 'HAS ONLY' - 'IS KNOWN' - 'IS UNKNOWN' type: string type: array response-level: enum: - always - must - should - may - should not - must not type: string sortable: type: boolean support: enum: - must - should - may type: string "$comment": type: string type: object x-optimade-metadata-definition: description: |- A dictionary that is a property definition of a dictionary-type property that defines all metadata properties. allOf: - $ref: '#/$defs/property_definition_field' - properties: type: enum: - ["object", "null"] "$comment": description: |- A human-readable comment relevant in the context of the raw definition data. These comments should normally not be shown to the end users. Comments pertaining to the Property Definition that are relevant to end users should go into the field description. Formatting in the text SHOULD use Markdown using the format described in the definition of the description field. This field is an annotation rather than an integral part of the Property Definition. Property Definitions that only differ by fields that are considered annotations are to be considered the same, and as explained in the definition of the $id field SHOULD share the same $id. type: string deprecated: description: |- If TRUE, implementations SHOULD not use the defined property, and it MAY be removed in the future. If FALSE, the defined property is not deprecated. The field not being present means FALSE. This field is an annotation rather than an integral part of the Property Definition. Property Definitions that only differ by fields that are considered annotations are to be considered the same, and as explained in the definition of the $id field SHOULD share the same $id. type: boolean # Allow database-specific fields additionalProperties: false patternProperties: "^x-(?!optimade-)": {} OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/json-ld/0000775000200400020040000000000015112031047025571 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/json-ld/v1.2/0000775000200400020040000000000015112031047026257 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/json-ld/v1.2/optimade.yaml0000644000200400020040000000121315112031047030740 0ustar andriusandrius'@context': id: "@id" type: "@type" data: "@graph" attributes: "@nest" structures: '@id': "https://schemas.optimade.org/json-ld/v1.2/nodetypes/optimade/structures" '@context': "https://schemas.optimade.org/json-ld/v1.2/nodetypes/optimade/structures.json" files: '@id': "https://schemas.optimade.org/json-ld/v1.2/nodetypes/optimade/files" '@context': "https://schemas.optimade.org/json-ld/v1.2/nodetypes/optimade/files.json" references: '@id': "https://schemas.optimade.org/json-ld/v1.2/nodetypes/optimade/references" '@context': "https://schemas.optimade.org/json-ld/v1.2/nodetypes/optimade/references.json" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/json-ld/v1.2/nodetypes/0000775000200400020040000000000015112031047030271 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/json-ld/v1.2/nodetypes/optimade/0000775000200400020040000000000015112031047032073 5ustar andriusandrius././@LongLink0000644000000000000000000000016200000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/json-ld/v1.2/nodetypes/optimade/references.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/json-ld/v1.2/nodetypes/optimade/re0000644000200400020040000000515715112031047032432 0ustar andriusandrius'@context': id: "https://schemas.optimade.org/defs/v1.2/properties/core/id" type: "https://schemas.optimade.org/defs/v1.2/properties/core/type" immutable_id: "https://schemas.optimade.org/defs/v1.2/properties/core/immutable_id" last_modified: "https://schemas.optimade.org/defs/v1.2/properties/core/last_modified" address: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/address" annote: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/annote" booktitle: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/booktitle" chapter: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/chapter" crossref: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/crossref" edition: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/edition" howpublished: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/howpublished" institution: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/institution" journal: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/journal" key: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/key" month: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/month" note: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/note" number: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/number" organization: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/organization" pages: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/pages" publisher: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/publisher" school: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/school" series: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/series" title: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/title" volume: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/volume" year: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/year" bib_type: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/bib_type" authors: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/authors" editors: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/editors" doi: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/doi" url: "https://schemas.optimade.org/defs/v1.2/properties/optimade/references/url" ././@LongLink0000644000000000000000000000015500000000000011604 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/json-ld/v1.2/nodetypes/optimade/files.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/json-ld/v1.2/nodetypes/optimade/fi0000644000200400020040000000256115112031047032416 0ustar andriusandrius'@context': id: "https://schemas.optimade.org/defs/v1.2/properties/core/id" type: "https://schemas.optimade.org/defs/v1.2/properties/core/type" immutable_id: "https://schemas.optimade.org/defs/v1.2/properties/core/immutable_id" last_modified: "https://schemas.optimade.org/defs/v1.2/properties/core/last_modified" url: "https://schemas.optimade.org/defs/v1.2/properties/core/last_modified" url_stable_until: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/url_stable_until" name: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/name" size: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/size" media_type: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/media_type" version: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/version" modification_timestamp: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/modification_timestamp" description: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/description" checksums: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/checksums" atime: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/checksums" ctime: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/ctime" mtime: "https://schemas.optimade.org/defs/v1.2/properties/optimade/files/mtime" ././@LongLink0000644000000000000000000000016200000000000011602 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/json-ld/v1.2/nodetypes/optimade/structures.yamlOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/schemas/src/json-ld/v1.2/nodetypes/optimade/st0000644000200400020040000000533015112031047032443 0ustar andriusandrius'@context': id: "https://schemas.optimade.org/defs/v1.2/properties/core/id" type: "https://schemas.optimade.org/defs/v1.2/properties/core/type" immutable_id: "https://schemas.optimade.org/defs/v1.2/properties/core/immutable_id" last_modified: "https://schemas.optimade.org/defs/v1.2/properties/core/last_modified" elements: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/elements" nelements: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/nelements" elements_ratios: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/elements_ratios" chemical_formula_descriptive: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/chemical_formula_descriptive" chemical_formula_reduced: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/chemical_formula_reduced" chemical_formula_hill: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/chemical_formula_hill" chemical_formula_anonymous: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/chemical_formula_anonymous" dimension_types: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/dimension_types" nperiodic_dimensions: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/nperiodic_dimensions" lattice_vectors: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/lattice_vectors" space_group_symmetry_operations_xyz: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/space_group_symmetry_operations_xyz" space_group_symbol_hall: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/space_group_symbol_hall" space_group_symbol_hermann_mauguin: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/space_group_symbol_hermann_mauguin" space_group_symbol_hermann_mauguin_extended: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/space_group_symbol_hermann_mauguin_extended" space_group_it_number: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/space_group_it_number" cartesian_site_positions: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/cartesian_site_positions" nsites: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/nsites" species_at_sites: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/species_at_sites" species: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/species" assemblies: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/assemblies" structure_features: "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/structure_features" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/CODE_OF_CONDUCT.md0000644000200400020040000002054415112031047024613 0ustar andriusandrius# Contributor Covenant 3.0 Code of Conduct ## Our Pledge We pledge to make our community welcoming, safe, and equitable for all. We are committed to fostering an environment that respects and promotes the dignity, rights, and contributions of all individuals, regardless of characteristics including race, ethnicity, caste, color, age, physical characteristics, neurodiversity, disability, sex or gender, gender identity or expression, sexual orientation, language, philosophy or religion, national or social origin, socio-economic position, level of education, or other status. The same privileges of participation are extended to everyone who participates in good faith and in accordance with this Covenant. ## Encouraged Behaviors While acknowledging differences in social norms, we all strive to meet our community's expectations for positive behavior. We also understand that our words and actions may be interpreted differently than we intend based on culture, background, or native language. With these considerations in mind, we agree to behave mindfully toward each other and act in ways that center our shared values, including: 1. Respecting the **purpose of our community**, our activities, and our ways of gathering. 2. Engaging **kindly and honestly** with others. 3. Respecting **different viewpoints** and experiences. 4. **Taking responsibility** for our actions and contributions. 5. Gracefully giving and accepting **constructive feedback**. 6. Committing to **repairing harm** when it occurs. 7. Behaving in other ways that promote and sustain the **well-being of our community**. ## Restricted Behaviors We agree to restrict the following behaviors in our community. Instances, threats, and promotion of these behaviors are violations of this Code of Conduct. 1. **Harassment.** Violating explicitly expressed boundaries or engaging in unnecessary personal attention after any clear request to stop. 2. **Character attacks.** Making insulting, demeaning, or pejorative comments directed at a community member or group of people. 3. **Stereotyping or discrimination.** Characterizing anyone’s personality or behavior on the basis of immutable identities or traits. 4. **Sexualization.** Behaving in a way that would generally be considered inappropriately intimate in the context or purpose of the community. 5. **Violating confidentiality**. Sharing or acting on someone's personal or private information without their permission. 6. **Endangerment.** Causing, encouraging, or threatening violence or other harm toward any person or group. 7. Behaving in other ways that **threaten the well-being** of our community. ### Other Restrictions 1. **Misleading identity.** Impersonating someone else for any reason, or pretending to be someone else to evade enforcement actions. 2. **Failing to credit sources.** Not properly crediting the sources of content you contribute. 3. **Promotional materials**. Sharing marketing or other commercial content in a way that is outside the norms of the community. 4. **Irresponsible communication.** Failing to responsibly present content which includes, links or describes any other restricted behaviors. ## Reporting an Issue Tensions can occur between community members even when they are trying their best to collaborate. Not every conflict represents a code of conduct violation, and this Code of Conduct reinforces encouraged behaviors and norms that can help avoid conflicts and minimize harm. When an incident does occur, it is important to report it promptly. To report a possible violation, please contact the OPTIMADE organizer team at organizers@optimade.org. Community Moderators take reports of violations seriously and will make every effort to respond in a timely manner. They will investigate all reports of code of conduct violations, reviewing messages, logs, and recordings, or interviewing witnesses and other participants. Community Moderators will keep investigation and enforcement actions as transparent as possible while prioritizing safety and confidentiality. In order to honor these values, enforcement actions are carried out in private with the involved parties, but communicating to the whole community may be part of a mutually agreed upon resolution. ## Addressing and Repairing Harm If an investigation by the Community Moderators finds that this Code of Conduct has been violated, the following enforcement ladder may be used to determine how best to repair harm, based on the incident's impact on the individuals involved and the community as a whole. Depending on the severity of a violation, lower rungs on the ladder may be skipped. 1) Warning 1) Event: A violation involving a single incident or series of incidents. 2) Consequence: A private, written warning from the Community Moderators. 3) Repair: Examples of repair include a private written apology, acknowledgement of responsibility, and seeking clarification on expectations. 2) Temporarily Limited Activities 1) Event: A repeated incidence of a violation that previously resulted in a warning, or the first incidence of a more serious violation. 2) Consequence: A private, written warning with a time-limited cooldown period designed to underscore the seriousness of the situation and give the community members involved time to process the incident. The cooldown period may be limited to particular communication channels or interactions with particular community members. 3) Repair: Examples of repair may include making an apology, using the cooldown period to reflect on actions and impact, and being thoughtful about re-entering community spaces after the period is over. 3) Temporary Suspension 1) Event: A pattern of repeated violation which the Community Moderators have tried to address with warnings, or a single serious violation. 2) Consequence: A private written warning with conditions for return from suspension. In general, temporary suspensions give the person being suspended time to reflect upon their behavior and possible corrective actions. 3) Repair: Examples of repair include respecting the spirit of the suspension, meeting the specified conditions for return, and being thoughtful about how to reintegrate with the community when the suspension is lifted. 4) Permanent Ban 1) Event: A pattern of repeated code of conduct violations that other steps on the ladder have failed to resolve, or a violation so serious that the Community Moderators determine there is no way to keep the community safe with this person as a member. 2) Consequence: Access to all community spaces, tools, and communication channels is removed. In general, permanent bans should be rarely used, should have strong reasoning behind them, and should only be resorted to if working through other remedies has failed to change the behavior. 3) Repair: There is no possible repair in cases of this severity. This enforcement ladder is intended as a guideline. It does not limit the ability of Community Managers to use their discretion and judgment, in keeping with the best interests of our community. ## Scope This Code of Conduct applies within all community spaces, and also applies when an individual is officially representing the community in public or other spaces. Examples of representing our community include using an official email address, posting via an official social media account, or acting as an appointed representative at an online or offline event. ## Attribution This Code of Conduct is adapted from the Contributor Covenant, version 3.0, permanently available at [https://www.contributor-covenant.org/version/3/0/](https://www.contributor-covenant.org/version/3/0/). Contributor Covenant is stewarded by the Organization for Ethical Source and licensed under CC BY-SA 4.0. To view a copy of this license, visit [https://creativecommons.org/licenses/by-sa/4.0/](https://creativecommons.org/licenses/by-sa/4.0/) For answers to common questions about Contributor Covenant, see the FAQ at [https://www.contributor-covenant.org/faq](https://www.contributor-covenant.org/faq). Translations are provided at [https://www.contributor-covenant.org/translations](https://www.contributor-covenant.org/translations). Additional enforcement and community guideline resources can be found at [https://www.contributor-covenant.org/resources](https://www.contributor-covenant.org/resources). The enforcement ladder was inspired by the work of [Mozilla’s code of conduct team](https://github.com/mozilla/inclusion). OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/external/0000775000200400020040000000000015112031047023633 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/external/json-api/0000775000200400020040000000000015112031047025353 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/external/json-api/LICENSE0000644000200400020040000001540015112031047026356 0ustar andriusandriusCreative Commons Legal Code CC0 1.0 Universal Official translations of this legal tool are available CREATIVE COMMONS CORPORATION IS NOT A LAW FIRM AND DOES NOT PROVIDE LEGAL SERVICES. DISTRIBUTION OF THIS DOCUMENT DOES NOT CREATE AN ATTORNEY-CLIENT RELATIONSHIP. CREATIVE COMMONS PROVIDES THIS INFORMATION ON AN "AS-IS" BASIS. CREATIVE COMMONS MAKES NO WARRANTIES REGARDING THE USE OF THIS DOCUMENT OR THE INFORMATION OR WORKS PROVIDED HEREUNDER, AND DISCLAIMS LIABILITY FOR DAMAGES RESULTING FROM THE USE OF THIS DOCUMENT OR THE INFORMATION OR WORKS PROVIDED HEREUNDER. 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OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/external/json-api/schema.yaml0000644000200400020040000002102315112031047027473 0ustar andriusandrius$schema: http://json-schema.org/draft-06/schema# definitions: attributes: additionalProperties: false description: Members of the attributes object ("attributes") represent information about the resource object in which it's defined. not: anyOf: - required: - relationships - required: - links - required: - id - required: - type patternProperties: ^[a-zA-Z0-9](?:[-\w]*[a-zA-Z0-9])?$: description: Attributes may contain any valid JSON value. type: object data: description: The document's "primary data" is a representation of the resource or collection of resources targeted by a request. oneOf: - $ref: '#/definitions/resource' - description: An array of resource objects, an array of resource identifier objects, or an empty array ([]), for requests that target resource collections. items: $ref: '#/definitions/resource' type: array uniqueItems: true - description: null if the request is one that might correspond to a single resource, but doesn't currently. type: 'null' empty: description: Describes an empty to-one relationship. type: 'null' error: additionalProperties: false properties: code: description: An application-specific error code, expressed as a string value. type: string detail: description: A human-readable explanation specific to this occurrence of the problem. type: string id: description: A unique identifier for this particular occurrence of the problem. type: string links: $ref: '#/definitions/links' meta: $ref: '#/definitions/meta' source: properties: parameter: description: A string indicating which query parameter caused the error. type: string pointer: description: A JSON Pointer [RFC6901] to the associated entity in the request document [e.g. "/data" for a primary data object, or "/data/attributes/title" for a specific attribute]. type: string type: object status: description: The HTTP status code applicable to this problem, expressed as a string value. type: string title: description: A short, human-readable summary of the problem. It **SHOULD NOT** change from occurrence to occurrence of the problem, except for purposes of localization. type: string type: object failure: additionalProperties: false properties: errors: items: $ref: '#/definitions/error' type: array uniqueItems: true jsonapi: $ref: '#/definitions/jsonapi' links: $ref: '#/definitions/links' meta: $ref: '#/definitions/meta' required: - errors type: object info: additionalProperties: false properties: jsonapi: $ref: '#/definitions/jsonapi' links: $ref: '#/definitions/links' meta: $ref: '#/definitions/meta' required: - meta type: object jsonapi: additionalProperties: false description: An object describing the server's implementation properties: meta: $ref: '#/definitions/meta' version: type: string type: object link: description: 'A link **MUST** be represented as either: a string containing the link''s URL or a link object.' oneOf: - description: A string containing the link's URL. format: uri-reference type: string - properties: href: description: A string containing the link's URL. format: uri-reference type: string meta: $ref: '#/definitions/meta' required: - href type: object linkage: additionalProperties: false description: The "type" and "id" to non-empty members. properties: id: type: string meta: $ref: '#/definitions/meta' type: type: string required: - type - id type: object links: additionalProperties: $ref: '#/definitions/link' type: object meta: additionalProperties: true description: Non-standard meta-information that can not be represented as an attribute or relationship. type: object pagination: properties: first: description: The first page of data oneOf: - $ref: '#/definitions/link' - type: 'null' last: description: The last page of data oneOf: - $ref: '#/definitions/link' - type: 'null' next: description: The next page of data oneOf: - $ref: '#/definitions/link' - type: 'null' prev: description: The previous page of data oneOf: - $ref: '#/definitions/link' - type: 'null' type: object relationshipLinks: additionalProperties: true description: A resource object **MAY** contain references to other resource objects ("relationships"). Relationships may be to-one or to-many. Relationships can be specified by including a member in a resource's links object. properties: related: $ref: '#/definitions/link' self: $ref: '#/definitions/link' description: A `self` member, whose value is a URL for the relationship itself (a "relationship URL"). This URL allows the client to directly manipulate the relationship. For example, it would allow a client to remove an `author` from an `article` without deleting the people resource itself. type: object relationshipToMany: description: An array of objects each containing "type" and "id" members for to-many relationships. items: $ref: '#/definitions/linkage' type: array uniqueItems: true relationshipToOne: anyOf: - $ref: '#/definitions/empty' - $ref: '#/definitions/linkage' description: References to other resource objects in a to-one ("relationship"). Relationships can be specified by including a member in a resource's links object. relationships: additionalProperties: false description: Members of the relationships object ("relationships") represent references from the resource object in which it's defined to other resource objects. patternProperties: ^[a-zA-Z0-9](?:[-\w]*[a-zA-Z0-9])?$: additionalProperties: false anyOf: - required: - data - required: - meta - required: - links not: anyOf: - required: - id - required: - type properties: data: description: Member, whose value represents "resource linkage". oneOf: - $ref: '#/definitions/relationshipToOne' - $ref: '#/definitions/relationshipToMany' links: $ref: '#/definitions/relationshipLinks' meta: $ref: '#/definitions/meta' type: object resource: additionalProperties: false description: '"Resource objects" appear in a JSON:API document to represent resources.' properties: attributes: $ref: '#/definitions/attributes' id: type: string links: $ref: '#/definitions/links' meta: $ref: '#/definitions/meta' relationships: $ref: '#/definitions/relationships' type: type: string required: - type - id type: object success: additionalProperties: false properties: data: $ref: '#/definitions/data' included: description: To reduce the number of HTTP requests, servers **MAY** allow responses that include related resources along with the requested primary resources. Such responses are called "compound documents". items: $ref: '#/definitions/resource' type: array uniqueItems: true jsonapi: $ref: '#/definitions/jsonapi' links: allOf: - $ref: '#/definitions/links' - $ref: '#/definitions/pagination' description: Link members related to the primary data. meta: $ref: '#/definitions/meta' required: - data type: object description: This is a schema for responses in the JSON:API format. For more, see http://jsonapi.org oneOf: - $ref: '#/definitions/success' - $ref: '#/definitions/failure' - $ref: '#/definitions/info' title: JSON:API Schema OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/external/json-api/schema.json0000644000200400020040000002624015112031047027510 0ustar andriusandrius{ "$schema": "http://json-schema.org/draft-06/schema#", "title": "JSON:API Schema", "description": "This is a schema for responses in the JSON:API format. For more, see http://jsonapi.org", "oneOf": [ { "$ref": "#/definitions/success" }, { "$ref": "#/definitions/failure" }, { "$ref": "#/definitions/info" } ], "definitions": { "success": { "type": "object", "required": [ "data" ], "properties": { "data": { "$ref": "#/definitions/data" }, "included": { "description": "To reduce the number of HTTP requests, servers **MAY** allow responses that include related resources along with the requested primary resources. Such responses are called \"compound documents\".", "type": "array", "items": { "$ref": "#/definitions/resource" }, "uniqueItems": true }, "meta": { "$ref": "#/definitions/meta" }, "links": { "description": "Link members related to the primary data.", "allOf": [ { "$ref": "#/definitions/links" }, { "$ref": "#/definitions/pagination" } ] }, "jsonapi": { "$ref": "#/definitions/jsonapi" } }, "additionalProperties": false }, "failure": { "type": "object", "required": [ "errors" ], "properties": { "errors": { "type": "array", "items": { "$ref": "#/definitions/error" }, "uniqueItems": true }, "meta": { "$ref": "#/definitions/meta" }, "jsonapi": { "$ref": "#/definitions/jsonapi" }, "links": { "$ref": "#/definitions/links" } }, "additionalProperties": false }, "info": { "type": "object", "required": [ "meta" ], "properties": { "meta": { "$ref": "#/definitions/meta" }, "links": { "$ref": "#/definitions/links" }, "jsonapi": { "$ref": "#/definitions/jsonapi" } }, "additionalProperties": false }, "meta": { "description": "Non-standard meta-information that can not be represented as an attribute or relationship.", "type": "object", "additionalProperties": true }, "data": { "description": "The document's \"primary data\" is a representation of the resource or collection of resources targeted by a request.", "oneOf": [ { "$ref": "#/definitions/resource" }, { "description": "An array of resource objects, an array of resource identifier objects, or an empty array ([]), for requests that target resource collections.", "type": "array", "items": { "$ref": "#/definitions/resource" }, "uniqueItems": true }, { "description": "null if the request is one that might correspond to a single resource, but doesn't currently.", "type": "null" } ] }, "resource": { "description": "\"Resource objects\" appear in a JSON:API document to represent resources.", "type": "object", "required": [ "type", "id" ], "properties": { "type": { "type": "string" }, "id": { "type": "string" }, "attributes": { "$ref": "#/definitions/attributes" }, "relationships": { "$ref": "#/definitions/relationships" }, "links": { "$ref": "#/definitions/links" }, "meta": { "$ref": "#/definitions/meta" } }, "additionalProperties": false }, "relationshipLinks": { "description": "A resource object **MAY** contain references to other resource objects (\"relationships\"). Relationships may be to-one or to-many. Relationships can be specified by including a member in a resource's links object.", "type": "object", "properties": { "self": { "description": "A `self` member, whose value is a URL for the relationship itself (a \"relationship URL\"). This URL allows the client to directly manipulate the relationship. For example, it would allow a client to remove an `author` from an `article` without deleting the people resource itself.", "$ref": "#/definitions/link" }, "related": { "$ref": "#/definitions/link" } }, "additionalProperties": true }, "links": { "type": "object", "additionalProperties": { "$ref": "#/definitions/link" } }, "link": { "description": "A link **MUST** be represented as either: a string containing the link's URL or a link object.", "oneOf": [ { "description": "A string containing the link's URL.", "type": "string", "format": "uri-reference" }, { "type": "object", "required": [ "href" ], "properties": { "href": { "description": "A string containing the link's URL.", "type": "string", "format": "uri-reference" }, "meta": { "$ref": "#/definitions/meta" } } } ] }, "attributes": { "description": "Members of the attributes object (\"attributes\") represent information about the resource object in which it's defined.", "type": "object", "patternProperties": { "^[a-zA-Z0-9](?:[-\\w]*[a-zA-Z0-9])?$": { "description": "Attributes may contain any valid JSON value." } }, "not": { "anyOf": [ {"required": ["relationships"]}, {"required": ["links"]}, {"required": ["id"]}, {"required": ["type"]} ] }, "additionalProperties": false }, "relationships": { "description": "Members of the relationships object (\"relationships\") represent references from the resource object in which it's defined to other resource objects.", "type": "object", "patternProperties": { "^[a-zA-Z0-9](?:[-\\w]*[a-zA-Z0-9])?$": { "properties": { "links": { "$ref": "#/definitions/relationshipLinks" }, "data": { "description": "Member, whose value represents \"resource linkage\".", "oneOf": [ { "$ref": "#/definitions/relationshipToOne" }, { "$ref": "#/definitions/relationshipToMany" } ] }, "meta": { "$ref": "#/definitions/meta" } }, "anyOf": [ {"required": ["data"]}, {"required": ["meta"]}, {"required": ["links"]} ], "not": { "anyOf": [ {"required": ["id"]}, {"required": ["type"]} ] }, "additionalProperties": false } }, "additionalProperties": false }, "relationshipToOne": { "description": "References to other resource objects in a to-one (\"relationship\"). Relationships can be specified by including a member in a resource's links object.", "anyOf": [ { "$ref": "#/definitions/empty" }, { "$ref": "#/definitions/linkage" } ] }, "relationshipToMany": { "description": "An array of objects each containing \"type\" and \"id\" members for to-many relationships.", "type": "array", "items": { "$ref": "#/definitions/linkage" }, "uniqueItems": true }, "empty": { "description": "Describes an empty to-one relationship.", "type": "null" }, "linkage": { "description": "The \"type\" and \"id\" to non-empty members.", "type": "object", "required": [ "type", "id" ], "properties": { "type": { "type": "string" }, "id": { "type": "string" }, "meta": { "$ref": "#/definitions/meta" } }, "additionalProperties": false }, "pagination": { "type": "object", "properties": { "first": { "description": "The first page of data", "oneOf": [ { "$ref": "#/definitions/link" }, { "type": "null" } ] }, "last": { "description": "The last page of data", "oneOf": [ { "$ref": "#/definitions/link" }, { "type": "null" } ] }, "prev": { "description": "The previous page of data", "oneOf": [ { "$ref": "#/definitions/link" }, { "type": "null" } ] }, "next": { "description": "The next page of data", "oneOf": [ { "$ref": "#/definitions/link" }, { "type": "null" } ] } } }, "jsonapi": { "description": "An object describing the server's implementation", "type": "object", "properties": { "version": { "type": "string" }, "meta": { "$ref": "#/definitions/meta" } }, "additionalProperties": false }, "error": { "type": "object", "properties": { "id": { "description": "A unique identifier for this particular occurrence of the problem.", "type": "string" }, "links": { "$ref": "#/definitions/links" }, "status": { "description": "The HTTP status code applicable to this problem, expressed as a string value.", "type": "string" }, "code": { "description": "An application-specific error code, expressed as a string value.", "type": "string" }, "title": { "description": "A short, human-readable summary of the problem. It **SHOULD NOT** change from occurrence to occurrence of the problem, except for purposes of localization.", "type": "string" }, "detail": { "description": "A human-readable explanation specific to this occurrence of the problem.", "type": "string" }, "source": { "type": "object", "properties": { "pointer": { "description": "A JSON Pointer [RFC6901] to the associated entity in the request document [e.g. \"/data\" for a primary data object, or \"/data/attributes/title\" for a specific attribute].", "type": "string" }, "parameter": { "description": "A string indicating which query parameter caused the error.", "type": "string" } } }, "meta": { "$ref": "#/definitions/meta" } }, "additionalProperties": false } } } OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/external/README.md0000644000200400020040000000051415112031047025110 0ustar andriusandriusThis directory contains a collection of subdirectories containing documents that are relevant to the OPTIMADE standard. Please note that the files in these subdirectories are subject to separate licensing agreements that differ from those of other OPTIMADE files. Please refer to each subdirectory for specific license information. OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/external/GNU_Units/0000775000200400020040000000000015112031047025446 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/external/GNU_Units/definitions.units0000644000200400020040000126233115112031047031053 0ustar andriusandrius# # This file is the units database for use with GNU units, a units conversion # program by Adrian Mariano adrianm@gnu.org # # September 2022 Version 3.15 # # Copyright (C) 1996-2002, 2004-2020, 2022 # Free Software Foundation, Inc # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation; either version 3 of the License, or # (at your option) any later version. # # This program is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License # along with this program; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, # Boston, MA 02110-1301 USA # ############################################################################ # # Improvements and corrections are welcome. # # See the end of this file for a list of items we have chosen to exclude # or have decided are out of scope for GNU units. # # Fundamental constants in this file are the 2018 CODATA recommended values. # # Most units data was drawn from # 1. NIST Special Publication 811, Guide for the # Use of the International System of Units (SI). # Barry N. Taylor. 2008 # https://www.nist.gov/pml/special-publication-811 # 2. CRC Handbook of Chemistry and Physics 70th edition # 3. Oxford English Dictionary # 4. Webster's New Universal Unabridged Dictionary # 5. Units of Measure by Stephen Dresner # 6. A Dictionary of English Weights and Measures by Ronald Zupko # 7. British Weights and Measures by Ronald Zupko # 8. Realm of Measure by Isaac Asimov # 9. United States standards of weights and measures, their # creation and creators by Arthur H. Frazier. # 10. French weights and measures before the Revolution: a # dictionary of provincial and local units by Ronald Zupko # 11. Weights and Measures: their ancient origins and their # development in Great Britain up to AD 1855 by FG Skinner # 12. The World of Measurements by H. Arthur Klein # 13. For Good Measure by William Johnstone # 14. NTC's Encyclopedia of International Weights and Measures # by William Johnstone # 15. Sizes by John Lord # 16. Sizesaurus by Stephen Strauss # 17. CODATA Recommended Values of Physical Constants available at # http://physics.nist.gov/cuu/Constants/index.html # 18. How Many? A Dictionary of Units of Measurement. Available at # http://www.ibiblio.org/units/ # 19. Numericana. http://www.numericana.com # 20. UK history of measurement # http://www.ukmetrication.com/history.htm # 21. NIST Handbook 44, Specifications, Tolerances, and # Other Technical Requirements for Weighing and Measuring # Devices. 2011 # 22. NIST Special Publication 447, Weights and Measures Standards # of the the United States: a brief history. Lewis V. Judson. # 1963; rev. 1976 # 23. CRC Handbook of Chemistry and Physics, 96th edition # 24. Dictionary of Scientific Units, 6th ed. H.G. Jerrard and D.B. # McNeill. 1992 # 25. NIST Special Publication 330, The International System of # Units (SI). ed. Barry N. Taylor and Ambler Thompson. 2008 # https://www.nist.gov/pml/special-publication-330 # 26. BIPM Brochure, The International System of Units (SI). # 9th ed., 2019 # https://www.bipm.org/en/publications/si-brochure/ # ########################################################################### # # If units you use are missing or defined incorrectly, please contact me. # If your country's local units are missing and you are willing to supply # them, please send me a list. # ########################################################################### ########################################################################### # # Brief Philosophy of this file # # Most unit definitions are made in terms of integers or simple fractions of # other definitions. The typical exceptions are when converting between two # different unit systems, or the values of measured physical constants. In # this file definitions are given in the most natural and revealing way in # terms of integer factors. # # If you make changes be sure to run 'units --check' to check your work. # # The file is USA-centric, but there is some modest effort to support other # countries. This file is now coded in UTF-8. To support environments where # UTF-8 is not available, definitions that require this character set are # wrapped in !utf8 directives. # # When a unit name is used in different countries with the different meanings # the system should be as follows: # # Suppose countries ABC and XYZ both use the "foo". Then globally define # # ABCfoo # XYZfoo # # Then, using the !locale directive, define the "foo" appropriately for each of # the two countries with a definition like # # !locale ABC # foo ABCfoo # !endlocale # ########################################################################### !locale en_US ! set UNITS_ENGLISH US !endlocale !locale en_GB ! set UNITS_ENGLISH GB !endlocale !set UNITS_ENGLISH US # Default setting for English units !set UNITS_SYSTEM default # Set a default value !varnot UNITS_SYSTEM si emu esu gaussian gauss hlu natural natural-gauss hartree planck planck-red default !message Unknown unit system given with -u or UNITS_SYSTEM environment variable !message Valid systems: si, emu, esu, gauss[ian], hlu, natural, natural-gauss !message planck, planck-red, hartree !message Using SI !prompt (SI) !endvar !var UNITS_SYSTEM si !message SI units selected !prompt (SI) !endvar ########################################################################### # # # Primitive units. Any unit defined to contain a '!' character is a # # primitive unit which will not be reduced any further. All units should # # reduce to primitive units. # # # ########################################################################### # # SI units # # On 20 May 2019, the SI was revised to define the units by fixing the # values of physical constants that depend on those units. # # https://www.nist.gov/si-redefinition/ # # The BIPM--the International Bureau of Weights and Measures--provides a # succinct description of the new SI in its Concise Summary: # # https://www.bipm.org/utils/common/pdf/si-brochure/SI-Brochure-9-concise-EN.pdf # # The SI is the system of units in which: # # * the unperturbed ground state hyperfine transition frequency of the # caesium 133 atom is delta nu_Cs = 9 192 631 770 Hz, # * the speed of light in vacuum, c, is 299 792 458 m/s, # * the Planck constant, h, is 6.626 070 15 * 10^-34 J s, # * the elementary charge, e, is 1.602 176 634 * 10^-19 C, # * the Boltzmann constant, k, is 1.380 649 * 10^-23 J/K, # * the Avogadro constant, N_A, is 6.022 140 76 * 10^23 mol^-1, # * the luminous efficacy of monochromatic radiation of frequency # 540 * 10^12 Hz, K_cd, is 683 lm/W, # # where the hertz, joule, coulomb, lumen, and watt, with unit symbols Hz, # J, C, lm, and W, respectively, are related to the units second, metre, # kilogram, ampere, kelvin, mole, and candela, with unit symbols s, m, kg, # A, K, mol, and cd, respectively, according to Hz = s^–1, J = kg m^2 s^–2, # C = A s, lm = cd m^2 m^–2 = cd sr, and W = kg m^2 s^–3. # # These definitions specify the exact numerical value of each constant when # its value is expressed in the corresponding SI unit. By fixing the exact # numerical value the unit becomes defined, since the product of the # numerical value and the unit has to equal the value of the constant, # which is invariant. # # The defining constants have been chosen such that, when taken together, # their units cover all of the units of the SI. In general, there is no # one-to-one correspondence between the defining constants and the SI base # units. Any SI unit is a product of powers of these seven constants and a # dimensionless factor. # # Until 2018, the SI was defined in terms of base units and derived units. # These categories are no longer essential in the SI, but they are maintained # in view of their convenience and widespread use. They are arguably more # intuitive than the new definitions. (They are also essential to the # operation of GNU units.) The definitions of the base units, which follow # from the definition of the SI in terms of the seven defining constants, are # given below. # s ! # The second, symbol s, is the SI unit of time. It is defined second s # by taking the fixed numerical value of the unperturbed # ground-state hyperfine transition frequency of the # cesium-133 atom to be 9 192 631 770 when expressed in the # unit Hz, which is equal to 1/s. # # This definition is a restatement of the previous one, the # duration of 9192631770 periods of the radiation corresponding # to the cesium-133 transition. c_SI 299792458 c 299792458 m/s # speed of light in vacuum (exact) m ! # The metre, symbol m, is the SI unit of length. It is meter m # defined by taking the fixed numerical value of the speed metre m # of light in vacuum, c, to be 299 792 458 when expressed in # units of m/s. # # This definition is a rewording of the previous one and is # equivalent to defining the meter as the distance light # travels in 1|299792458 seconds. The meter was originally # intended to be 1e-7 of the length along a meridian from the # equator to a pole. h_SI 6.62607015e-34 h 6.62607015e-34 J s # Planck constant (exact) kg ! # The kilogram, symbol kg, is the SI unit of mass. It is kilogram kg # defined by taking the fixed numerical value of the Planck # constant, h, to be 6.626 070 15 * 10^-34 when expressed in # the unit J s which is equal to kg m^2 / s. # # One advantage of fixing h to define the kilogram is that this # affects constants used to define the ampere. If the kg were # defined by directly fixing the mass of something, then h # would be subject to error. # # The previous definition of the kilogram was the mass of the # international prototype kilogram. The kilogram was the last # unit whose definition relied on reference to an artifact. # # It is not obvious what this new definition means, or # intuitively how fixing Planck's constant defines the # kilogram. To define the kilogram we need to give the mass # of some reference in kilograms. Previously the prototype in # France served as this reference, and it weighed exactly 1 # kg. But the reference can have any weight as long as you # know the weight of the reference. The new definition uses # the "mass" of a photon, or more accurately, the mass # equivalent of the energy of a photon. The energy of a # photon depends on its frequency. If you pick a frequency, # f, then the energy of the photon is hf, and hence the mass # equivalent is hf/c^2. If we reduce this expression using # the constant defined values for h and c the result is a # value in kilograms for the mass-equivalent of a photon of # frequency f, which can therefore define the size of the # kilogram. # # For more on the relationship between mass an Planck's # constant: # # https://www.nist.gov/si-redefinition/kilogram-mass-and-plancks-constant # This definition may still seem rather abstract: you can't # place a "kilogram of radiation" on one side of a balance. # Metrologists realize the kilogram using a Kibble Balance, a # device which relates mechanical energy to electrical energy # and can measure mass with extreme accuracy if h is known. # # For more on the Kibble Balance see # # https://www.nist.gov/si-redefinition/kilogram-kibble-balance # https://en.wikipedia.org/wiki/Kibble_balance k_SI 1.380649e-23 boltzmann 1.380649e-23 J/K # Boltzmann constant (exact) k boltzmann K ! # The kelvin, symbol K, is the SI unit of thermodynamic kelvin K # temperature. It is defined by taking the fixed numerical # value of the Boltzmann constant, k, to be 1.380 649 * 10^-23 # when expressed in the unit J/K, which is equal to # kg m^2/s^2 K. # # The boltzmann constant establishes the relationship between # energy and temperature. The average thermal energy carried # by each degree of freedom is kT/2. A monatomic ideal gas # has three degrees of freedom corresponding to the three # spatial directions, which means its thermal energy is # (3/2) k T. # # The previous definition of the kelvin was based on the # triple point of water. The change in the definition of the # kelvin will not have much effect on measurement practice. # Practical temperature calibration makes use of two scales, # the International Temperature Scale of 1990 (ITS-90), which # covers the range of 0.65 K to 1357.77K and the Provisional # Low Temperature Scale of 2000 (PLTS-2000), which covers the # range of 0.9 mK to 1 K. # https://www.bipm.org/en/committees/cc/cct/publications-cc.html # # The ITS-90 contains 17 reference points including things # like the triple point of hydrogen (13.8033 K) or the # freezing point of gold (1337.33 K), and of course the triple # point of water. The PLTS-2000 specifies four reference # points, all based on properties of helium-3. # # The redefinition of the kelvin will not affect the values of # these reference points, which have been determined by # primary thermometry, using thermometers that rely only on # relationships that allow temperature to be calculated # directly without using any unknown quantities. Examples # include acoustic thermometers, which measure the speed of # sound in a gas, or electronic thermometers, which measure # tiny voltage fluctuations in resistors. Both variables # depend directly on temperature. e_SI 1.602176634e-19 e 1.602176634e-19 C # electron charge (exact) A ! # The ampere, symbol A, is the SI unit of electric current. ampere A # It is defined by taking the fixed numerical value of the amp ampere # elementary charge, e, to be 1.602 176 634 * 10^-19 when # expressed in the unit C, which is equal to A*s. # # The previous definition was the current which produces a # force of 2e-7 N/m between two infinitely long wires a meter # apart. This definition was difficult to realize accurately. # # The ampere is actually realized by establishing the volt and # the ohm, since A = V / ohm. These measurements can be done # using the Josephson effect and the quantum Hall effect, # which accurately measure voltage and resistance, respectively, # with reference to two fixed constants, the Josephson # constant, K_J=2e/h and the von Klitzing constant, R_K=h/e^2. # Under the previous SI system, these constants had official # fixed values, defined in 1990. This created a situation # where the standard values for the volt and ohm were in some # sense outside of SI because they depended primarily on # constants different from the ones used to define SI. After # the revision, since e and h have exact definitions, the # Josephson and von Klitzing constants will also have exact # definitions that derive from SI instead of the conventional # 1990 values. # # In fact we know that there is a small offset between the # conventional values of the electrical units based on the # conventional 1990 values and the SI values. The new # definition, which brings the practical electrical units back # into SI, will lead to a one time change of +0.1ppm for # voltage values and +0.02ppm for resistance values. # # The previous definition resulted in fixed exact values for # the vacuum permeability (mu0), the impedance of free space # (Z0), the vacuum permittivity (epsilon0), and the Coulomb # constant. With the new definition, these four values are # subject to experimental error. avogadro 6.02214076e23 / mol # Size of a mole (exact) N_A avogadro mol ! # The mole, symbol mol, is the SI unit of amount of mole mol # substance. One mole contains exactly 6.022 140 76 * 10^23 # elementary entities. This number is the fixed numerical # value of the Avogadro constant, N_A, when expressed in the # unit 1/mol and is called the Avogadro number. The amount of # substance, symbol n, of a system is a measure of the number # of specified elementary entities. An elementary entity may # be an atom, a molecule, an ion, an electron, any other # particle or specified group of particles. # # The atomic mass unit (u) is defined as 1/12 the mass of # carbon-12. Previously the mole was defined so that a mole # of carbon-12 weighed exactly 12g, or N_A u = 1 g/mol # exactly. This relationship is now an experimental, # approximate relationship. # # To determine the size of the mole, researchers used spheres # of very pure silicon-28 that weighed a kilogram. They # measured the molar mass of Si-28 using mass spectrometry and # used X-ray diffraction interferometry to determine the # spacing of the silicon atoms in the sphere. Using the # sphere's volume it was then possible to determine the number # of silicon atoms in the sphere, and hence determine the # Avogadro constant. The results of this experiment were used to # define N_A, which is henceforth a fixed, unchanging quantity. cd ! # The candela, symbol cd, is the SI unit of luminous intensity candela cd # in a given direction. It is defined by taking the fixed # numerical value of the luminous efficacy of monochromatic # radiation of the frequency 540e12 Hz to be 683 when # expressed in the unit lumen/watt, which is equal to # cd sr/W, or cd sr s^3/kg m^2 # # This definition is a rewording of the previous definition. # Luminous intensity differs from radiant intensity (W/sr) in # that it is adjusted for human perceptual dependence on # wavelength. The frequency of 540e12 Hz (yellow; # wavelength approximately 555 nm in vacuum) is where human # perception is most efficient. # # The radian and steradian are defined as dimensionless primitive units. # The radian is equal to m/m and the steradian to m^2/m^2 so these units are # dimensionless. Retaining them as named units is useful because it allows # clarity in expressions and makes the meaning of unit definitions more clear. # These units will reduce to 1 in conversions but not for sums of units or for # arguments to functions. # radian !dimensionless # The angle subtended at the center of a circle by # an arc equal in length to the radius of the # circle sr !dimensionless # Solid angle which cuts off an area of the surface steradian sr # of the sphere equal to that of a square with # sides of length equal to the radius of the # sphere # # A primitive non-SI unit # bit ! # Basic unit of information (entropy). The entropy in bits # of a random variable over a finite alphabet is defined # to be the sum of -p(i)*log2(p(i)) over the alphabet where # p(i) is the probability that the random variable takes # on the value i. # # Currency: the primitive unit of currency is defined in currency.units. # It is usually the US$ or the euro, but it is user selectable. # ########################################################################### # # # Prefixes (longer names must come first) # # # ########################################################################### yotta- 1e24 # Greek or Latin octo, "eight" zetta- 1e21 # Latin septem, "seven" exa- 1e18 # Greek hex, "six" peta- 1e15 # Greek pente, "five" tera- 1e12 # Greek teras, "monster" giga- 1e9 # Greek gigas, "giant" mega- 1e6 # Greek megas, "large" myria- 1e4 # Not an official SI prefix kilo- 1e3 # Greek chilioi, "thousand" hecto- 1e2 # Greek hekaton, "hundred" deca- 1e1 # Greek deka, "ten" deka- deca deci- 1e-1 # Latin decimus, "tenth" centi- 1e-2 # Latin centum, "hundred" milli- 1e-3 # Latin mille, "thousand" micro- 1e-6 # Latin micro or Greek mikros, "small" nano- 1e-9 # Latin nanus or Greek nanos, "dwarf" pico- 1e-12 # Spanish pico, "a bit" femto- 1e-15 # Danish-Norwegian femten, "fifteen" atto- 1e-18 # Danish-Norwegian atten, "eighteen" zepto- 1e-21 # Latin septem, "seven" yocto- 1e-24 # Greek or Latin octo, "eight" quarter- 1|4 semi- 0.5 demi- 0.5 hemi- 0.5 half- 0.5 double- 2 triple- 3 treble- 3 kibi- 2^10 # In response to the improper and confusing mebi- 2^20 # use of SI prefixes for powers of two, gibi- 2^30 # the International Electrotechnical tebi- 2^40 # Commission aproved these binary prefixes pebi- 2^50 # in IEC 60027-2 Amendment 2 (1999). exbi- 2^60 zebi- 2^70 # Zebi- and yobi- were added in the 2005 ed., yobi- 2^80 # later superseded by ISO/IEC 80000-13:2008. Ki- kibi Mi- mebi Gi- gibi Ti- tebi Pi- pebi Ei- exbi Zi- zebi Yi- yobi Y- yotta Z- zetta E- exa P- peta T- tera G- giga M- mega k- kilo h- hecto da- deka d- deci c- centi m- milli u- micro # it should be a mu but u is easy to type n- nano p- pico f- femto a- atto z- zepto y- yocto # # Names of some numbers # one 1 two 2 double 2 couple 2 three 3 triple 3 four 4 quadruple 4 five 5 quintuple 5 six 6 seven 7 eight 8 nine 9 ten 10 eleven 11 twelve 12 thirteen 13 fourteen 14 fifteen 15 sixteen 16 seventeen 17 eighteen 18 nineteen 19 twenty 20 thirty 30 forty 40 fifty 50 sixty 60 seventy 70 eighty 80 ninety 90 hundred 100 thousand 1000 million 1e6 twoscore two score threescore three score fourscore four score fivescore five score sixscore six score sevenscore seven score eightscore eight score ninescore nine score tenscore ten score twelvescore twelve score # These number terms were described by N. Chuquet and De la Roche in the 16th # century as being successive powers of a million. These definitions are still # used in most European countries. The current US definitions for these # numbers arose in the 17th century and don't make nearly as much sense. These # numbers are listed in the CRC Concise Encyclopedia of Mathematics by Eric # W. Weisstein. shortbillion 1e9 shorttrillion 1e12 shortquadrillion 1e15 shortquintillion 1e18 shortsextillion 1e21 shortseptillion 1e24 shortoctillion 1e27 shortnonillion 1e30 shortnoventillion shortnonillion shortdecillion 1e33 shortundecillion 1e36 shortduodecillion 1e39 shorttredecillion 1e42 shortquattuordecillion 1e45 shortquindecillion 1e48 shortsexdecillion 1e51 shortseptendecillion 1e54 shortoctodecillion 1e57 shortnovemdecillion 1e60 shortvigintillion 1e63 centillion 1e303 googol 1e100 longbillion million^2 longtrillion million^3 longquadrillion million^4 longquintillion million^5 longsextillion million^6 longseptillion million^7 longoctillion million^8 longnonillion million^9 longnoventillion longnonillion longdecillion million^10 longundecillion million^11 longduodecillion million^12 longtredecillion million^13 longquattuordecillion million^14 longquindecillion million^15 longsexdecillion million^16 longseptdecillion million^17 longoctodecillion million^18 longnovemdecillion million^19 longvigintillion million^20 # These numbers fill the gaps left by the long system above. milliard 1000 million billiard 1000 million^2 trilliard 1000 million^3 quadrilliard 1000 million^4 quintilliard 1000 million^5 sextilliard 1000 million^6 septilliard 1000 million^7 octilliard 1000 million^8 nonilliard 1000 million^9 noventilliard nonilliard decilliard 1000 million^10 # For consistency longmilliard milliard longbilliard billiard longtrilliard trilliard longquadrilliard quadrilliard longquintilliard quintilliard longsextilliard sextilliard longseptilliard septilliard longoctilliard octilliard longnonilliard nonilliard longnoventilliard noventilliard longdecilliard decilliard # The long centillion would be 1e600. The googolplex is another # familiar large number equal to 10^googol. These numbers give overflows. # # The short system prevails in English speaking countries # billion shortbillion trillion shorttrillion quadrillion shortquadrillion quintillion shortquintillion sextillion shortsextillion septillion shortseptillion octillion shortoctillion nonillion shortnonillion noventillion shortnoventillion decillion shortdecillion undecillion shortundecillion duodecillion shortduodecillion tredecillion shorttredecillion quattuordecillion shortquattuordecillion quindecillion shortquindecillion sexdecillion shortsexdecillion septendecillion shortseptendecillion octodecillion shortoctodecillion novemdecillion shortnovemdecillion vigintillion shortvigintillion # # Numbers used in India # lakh 1e5 crore 1e7 arab 1e9 kharab 1e11 neel 1e13 padm 1e15 shankh 1e17 ############################################################################# # # # Derived units which can be reduced to the primitive units # # # ############################################################################# # # Named SI derived units (officially accepted) # newton kg m / s^2 # force N newton pascal N/m^2 # pressure or stress Pa pascal joule N m # energy J joule watt J/s # power W watt coulomb A s # charge C coulomb volt W/A # potential difference V volt ohm V/A # electrical resistance siemens A/V # electrical conductance S siemens farad C/V # capacitance F farad weber V s # magnetic flux Wb weber henry V s / A # inductance H henry tesla Wb/m^2 # magnetic flux density T tesla hertz /s # frequency Hz hertz # # Dimensions. These are here to help with dimensional analysis and # because they will appear in the list produced by hitting '?' at the # "You want:" prompt to tell the user the dimension of the unit. # LENGTH meter AREA LENGTH^2 VOLUME LENGTH^3 MASS kilogram AMOUNT mole ANGLE radian SOLID_ANGLE steradian MONEY US$ FORCE newton PRESSURE FORCE / AREA STRESS FORCE / AREA FREQUENCY hertz VELOCITY LENGTH / TIME ACCELERATION VELOCITY / TIME MOMENTUM MASS VELOCITY IMPULSE FORCE TIME DISPLACEMENT LENGTH DISTANCE LENGTH ELONGATION LENGTH STRAIN ELONGATION / LENGTH ENERGY joule POWER watt WORK FORCE DISTANCE DENSITY MASS / VOLUME LINEAR_DENSITY MASS / LENGTH VISCOSITY FORCE TIME / AREA KINEMATIC_VISCOSITY VISCOSITY / DENSITY CURRENT ampere CHARGE coulomb CAPACITANCE farad RESISTANCE ohm CONDUCTANCE siemens # It may be easier to understand the relationship by considering # an object with specified dimensions and resistivity, whose # resistance is given by the resistivity * length / area. RESISTIVITY RESISTANCE AREA / LENGTH CONDUCTIVITY CONDUCTANCE LENGTH / AREA INDUCTANCE henry E_FIELD ELECTRIC_POTENTIAL / LENGTH B_FIELD tesla # The D and H fields are related to the E and B fields by factors of # epsilon and mu respectively, so their units can be found by # multiplying/dividing by the epsilon0 and mu0. The more complex # definitions below make it possible to use D_FIELD and E_FIELD to # convert between SI and CGS units for these dimensions. D_FIELD E_FIELD epsilon0 / epsilon0_SI # mu0_SI c^2 F / m H_FIELD B_FIELD / (mu0/mu0_SI) ELECTRIC_DIPOLE_MOMENT C m MAGNETIC_DIPOLE_MOMENT J / T POLARIZATION ELECTRIC_DIPOLE_MOMENT / VOLUME MAGNETIZATION MAGNETIC_DIPOLE_MOMENT / VOLUME ELECTRIC_POTENTIAL ENERGY / CHARGE #volt VOLTAGE ELECTRIC_POTENTIAL E_FLUX E_FIELD AREA D_FLUX D_FIELD AREA B_FLUX B_FIELD AREA H_FLUX H_FIELD AREA # # units derived easily from SI units # gram millikg gm gram g gram tonne 1000 kg t tonne metricton tonne sthene tonne m / s^2 funal sthene pieze sthene / m^2 quintal 100 kg bar 1e5 Pa # About 1 atm b bar vac millibar micron micrometer # One millionth of a meter bicron picometer # One brbillionth of a meter cc cm^3 are 100 m^2 a are liter 1000 cc # The liter was defined in 1901 as the oldliter 1.000028 dm^3 # space occupied by 1 kg of pure water at L liter # the temperature of its maximum density l liter # under a pressure of 1 atm. This was # supposed to be 1000 cubic cm, but it # was discovered that the original # measurement was off. In 1964, the # liter was redefined to be exactly 1000 # cubic centimeters. Ah amp hour # Unit of charge mho siemens # Inverse of ohm, hence ohm spelled backward galvat ampere # Named after Luigi Galvani angstrom 1e-10 m # Convenient for describing molecular sizes xunit xunit_cu # Used for measuring x-ray wavelengths. siegbahn xunit # Originally defined to be 1|3029.45 of xunit_cu 1.00207697e-13 m # the spacing of calcite planes at 18 xunit_mo 1.00209952e-13 m # degC. It was intended to be exactly # 1e-13 m, but was later found to be # slightly off. Current usage is with # reference to common x-ray lines, either # the K-alpha 1 line of copper or the # same line of molybdenum. angstromstar 1.00001495 angstrom # Defined by JA Bearden in 1965 to replace # the X unit. The wavelength of the # tungsten K alpha1 line was defined as # exactly 0.20901 angstrom star, with the # valule chosen to try to make the new # unit close to the angstrom. silicon_d220 1.920155716e-10 m # Silicon lattice spacing siliconlattice sqrt(8) silicon_d220# Silicon lattice parameter, (a), the side # length of the unit cell for the diamond # centered cubic structure of silicon. fermi 1e-15 m # Convenient for describing nuclear sizes # Nuclear radius is from 1 to 10 fermis barn 1e-28 m^2 # Used to measure cross section for # particle physics collision, said to # have originated in the phrase "big as # a barn". shed 1e-24 barn # Defined to be a smaller companion to the # barn, but it's too small to be of # much use. brewster micron^2/N # measures stress-optical coef diopter /m # measures reciprocal of lens focal length fresnel 1e12 Hz # occasionally used in spectroscopy shake 1e-8 sec svedberg 1e-13 s # Used for measuring the sedimentation # coefficient for centrifuging. gamma microgram # Also used for 1e-9 tesla lambda microliter spat 1e12 m # Rarely used for astronomical measurements preece 1e13 ohm m # resistivity planck J s # action of one joule over one second sturgeon /henry # magnetic reluctance daraf 1/farad # elastance (farad spelled backwards) leo 10 m/s^2 poiseuille N s / m^2 # viscosity mayer J/g K # specific heat mired / microK # reciprocal color temperature. The name # abbreviates micro reciprocal degree. crocodile megavolt # used informally in UK physics labs metricounce 25 g mounce metricounce finsenunit 1e5 W/m^2 # Measures intensity of ultraviolet light # with wavelength 296.7 nm. fluxunit 1e-26 W/m^2 Hz # Used in radio astronomy to measure # the energy incident on the receiving # body across a specified frequency # bandwidth. [12] jansky fluxunit # K. G. Jansky identified radio waves coming Jy jansky # from outer space in 1931. flick W / cm^2 sr micrometer # Spectral radiance or irradiance pfu / cm^2 sr s # particle flux unit -- Used to measure # rate at which particles are received by # a spacecraft as particles per solid # angle per detector area per second. [18] pyron cal_IT / cm^2 min # Measures heat flow from solar radiation, # from Greek work "pyr" for fire. katal mol/sec # Measure of the amount of a catalyst. One kat katal # katal of catalyst enables the reaction # to consume or produce one mol/sec. solarluminosity 382.8e24 W # A common yardstick for comparing the # output of different stars. # http://nssdc.gsfc.nasa.gov/planetary/factsheet/sunfact.html # at mean Earth-Sun distance solarirradiance solarluminosity / (4 pi sundist^2) solarconstant solarirradiance TSI solarirradiance # total solar irradiance # # time # sec s minute 60 s min minute hour 60 min hr hour day 24 hr d day da day week 7 day wk week sennight 7 day fortnight 14 day blink 1e-5 day # Actual human blink takes 1|3 second ce 1e-2 day cron 1e6 years watch 4 hours # time a sentry stands watch or a ship's # crew is on duty. bell 1|8 watch # Bell would be sounded every 30 minutes. # French Revolutionary Time or Decimal Time. It was Proposed during # the French Revolution. A few clocks were made, but it never caught # on. In 1998 Swatch defined a time measurement called ".beat" and # sold some watches that displayed time in this unit. decimalhour 1|10 day decimalminute 1|100 decimalhour decimalsecond 1|100 decimalminute beat decimalminute # Swatch Internet Time # # angular measure # circle 2 pi radian degree 1|360 circle deg degree arcdeg degree arcmin 1|60 degree arcminute arcmin ' arcmin arcsec 1|60 arcmin arcsecond arcsec " arcsec '' " rightangle 90 degrees quadrant 1|4 circle quintant 1|5 circle sextant 1|6 circle sign 1|12 circle # Angular extent of one sign of the zodiac turn circle revolution turn rev turn pulsatance radian / sec gon 1|100 rightangle # measure of grade grade gon centesimalminute 1|100 grade centesimalsecond 1|100 centesimalminute milangle 1|6400 circle # Official NIST definition. # Another choice is 1e-3 radian. pointangle 1|32 circle # Used for reporting compass readings centrad 0.01 radian # Used for angular deviation of light # through a prism. mas milli arcsec # Used by astronomers seclongitude circle (seconds/day) # Astronomers measure longitude # (which they call right ascension) in # time units by dividing the equator into # 24 hours instead of 360 degrees. # # Some geometric formulas # circlearea(r) units=[m;m^2] range=[0,) pi r^2 ; sqrt(circlearea/pi) spherevolume(r) units=[m;m^3] range=[0,) 4|3 pi r^3 ; \ cuberoot(spherevolume/4|3 pi) spherevol() spherevolume square(x) range=[0,) x^2 ; sqrt(square) # # Solid angle measure # sphere 4 pi sr squaredegree 1|180^2 pi^2 sr squareminute 1|60^2 squaredegree squaresecond 1|60^2 squareminute squarearcmin squareminute squarearcsec squaresecond sphericalrightangle 0.5 pi sr octant 0.5 pi sr # # Concentration measures # percent 0.01 % percent mill 0.001 # Originally established by Congress in 1791 # as a unit of money equal to 0.001 dollars, # it has come to refer to 0.001 in general. # Used by some towns to set their property # tax rate, and written with a symbol similar # to the % symbol but with two 0's in the # denominator. [18] proof 1|200 # Alcohol content measured by volume at # 60 degrees Fahrenheit. This is a USA # measure. In Europe proof=percent. ppm 1e-6 partspermillion ppm ppb 1e-9 partsperbillion ppb # USA billion ppt 1e-12 partspertrillion ppt # USA trillion karat 1|24 # measure of gold purity caratgold karat gammil mg/l basispoint 0.01 % # Used in finance fine 1|1000 # Measure of gold purity # The pH scale is used to measure the concentration of hydronium (H3O+) ions in # a solution. A neutral solution has a pH of 7 as a result of dissociated # water molecules. pH(x) units=[1;mol/liter] range=(0,) 10^(-x) mol/liter ; (-log(pH liters/mol)) # # Temperature # # Two types of units are defined: units for converting temperature differences # and functions for converting absolute temperatures. Conversions for # differences start with "deg" and conversions for absolute temperature start # with "temp". # # If the temperature inside is 72 degrees Fahrenheit and you want to # convert this to degrees Celsius then you need absolute temperature: # # You have: tempF(72) # You want: tempC # 22.222222 # # If the temperature rose 72 degrees Fahrenheit during the chemical reaction # then this is a temperature difference: # # You have: 72 degF # You want: degC # * 40 # / 0.025 # TEMPERATURE kelvin TEMPERATURE_DIFFERENCE kelvin # In 1741 Anders Celsius introduced a temperature scale with water boiling at # 0 degrees and freezing at 100 degrees at standard pressure. After his death # the fixed points were reversed and the scale was called the centigrade # scale. Due to the difficulty of accurately measuring the temperature of # melting ice at standard pressure, the centigrade scale was replaced in 1954 # by the Celsius scale which is defined by subtracting 273.15 from the # temperature in Kelvins. This definition differed slightly from the old # centigrade definition, but the Kelvin scale depends on the triple point of # water rather than a melting point, so it can be measured accurately. tempC(x) units=[1;K] domain=[-273.15,) range=[0,) \ x K + stdtemp ; (tempC +(-stdtemp))/K tempcelsius() tempC degcelsius K degC K # Fahrenheit defined his temperature scale by setting 0 to the coldest # temperature he could produce in his lab with a salt water solution and by # setting 96 degrees to body heat. In Fahrenheit's words: # # Placing the thermometer in a mixture of sal ammoniac or sea # salt, ice, and water a point on the scale will be found which # is denoted as zero. A second point is obtained if the same # mixture is used without salt. Denote this position as 30. A # third point, designated as 96, is obtained if the thermometer # is placed in the mouth so as to acquire the heat of a healthy # man." (D. G. Fahrenheit, Phil. Trans. (London) 33, 78, 1724) tempF(x) units=[1;K] domain=[-459.67,) range=[0,) \ (x+(-32)) degF + stdtemp ; (tempF+(-stdtemp))/degF + 32 tempfahrenheit() tempF degfahrenheit 5|9 degC degF 5|9 degC degreesrankine degF # The Rankine scale has the degrankine degreesrankine # Fahrenheit degree, but its zero degreerankine degF # is at absolute zero. degR degrankine tempR degrankine temprankine degrankine tempreaumur(x) units=[1;K] domain=[-218.52,) range=[0,) \ x degreaumur+stdtemp ; (tempreaumur+(-stdtemp))/degreaumur degreaumur 10|8 degC # The Reaumur scale was used in Europe and # particularly in France. It is defined # to be 0 at the freezing point of water # and 80 at the boiling point. Reaumur # apparently selected 80 because it is # divisible by many numbers. degK K # "Degrees Kelvin" is forbidden usage. tempK K # For consistency # Gas mark is implemented below but in a terribly ugly way. There is # a simple formula, but it requires a conditional which is not # presently supported. # # The formula to convert to degrees Fahrenheit is: # # 25 log2(gasmark) + k_f gasmark<=1 # 25 (gasmark-1) + k_f gasmark>=1 # # k_f = 275 # gasmark[degR] \ .0625 634.67 \ .125 659.67 \ .25 684.67 \ .5 709.67 \ 1 734.67 \ 2 759.67 \ 3 784.67 \ 4 809.67 \ 5 834.67 \ 6 859.67 \ 7 884.67 \ 8 909.67 \ 9 934.67 \ 10 959.67 # The Beaufort wind force scale was developed from 1805-1807 by Sir Francis # Beaufort to categorize wind conditions at sea. It is normally defined from # Beaufort 0, also called "Force 0," through Beaufort 12. Beaufort numbers # 13-17 were later defined for tropical cyclones but are rarely used. The # original Beaufort scale was qualitative and did not relate directly to wind # speed. In 1906, George Simpson of the British Met Office fit wind-speed # measurements to visual Beaufort estimates made from five coastal and inland # stations in Britain. Simpson's formula was adopted by the World Meterological # Organization in 1946 to produce a table, known as WMO Code 1100, giving mean # (and min/max) wind speed equivalents at a height of 10 meters for each # Beaufort number. This is the "operational" Beaufort scale that mariners # use. Meterological and climatic researchers typically use a "scientific" # Beaufort scale based on more recent and comprehensive fits. See Wallbrink and # Cook, Historical Wind Speed Equivalents Of The Beaufort Scale, 1850-1950, at # https://icoads.noaa.gov/reclaim/pdf/Hisklim13.pdf # beaufort_WMO1100(B) units=[1;m/s] domain=[0,17] range=[0,) \ 0.836 B^3|2 m/s; (beaufort_WMO1100 s / 0.836 m)^2|3 beaufort(B) units=[1;m/s] domain=[0,17] range=[0,) \ beaufort_WMO1100(B); ~beaufort_WMO1100(beaufort) # Units cannot handle wind chill or heat index because they are two-variable # functions, but they are included here for your edification. Clearly these # equations are the result of a model fitting operation. # # wind chill index (WCI) a measurement of the combined cooling effect of low # air temperature and wind on the human body. The index was first defined # by the American Antarctic explorer Paul Siple in 1939. As currently used # by U.S. meteorologists, the wind chill index is computed from the # temperature T (in °F) and wind speed V (in mi/hr) using the formula: # WCI = 0.0817(3.71 sqrt(V) + 5.81 - 0.25V)(T - 91.4) + 91.4. # For very low wind speeds, below 4 mi/hr, the WCI is actually higher than # the air temperature, but for higher wind speeds it is lower than the air # temperature. # # heat index (HI or HX) a measure of the combined effect of heat and # humidity on the human body. U.S. meteorologists compute the index # from the temperature T (in °F) and the relative humidity H (as a # value from 0 to 1). # HI = -42.379 + 2.04901523 T + 1014.333127 H - 22.475541 TH # - .00683783 T^2 - 548.1717 H^2 + 0.122874 T^2 H + 8.5282 T H^2 # - 0.0199 T^2 H^2. # # Physical constants # # Basic constants pi 3.14159265358979323846 tau 2 pi phi (sqrt(5)+1)/2 light c mu0_SI 2 alpha h_SI / e_SI^2 c_SI # Vacuum magnetic permeability mu0 2 alpha h / e^2 c # Gets overridden in CGS modes epsilon0_SI 1/mu0_SI c_SI^2 # Vacuum electric permittivity epsilon0 1/mu0 c^2 # Also overridden in CGS modes Z0 mu0 c # Free space impedance energy c^2 # Convert mass to energy hbar h / 2 pi hbar_SI h_SI / 2 pi spin hbar G_SI 6.67430e-11 G 6.67430e-11 N m^2 / kg^2 # Newtonian gravitational constant coulombconst 1/4 pi epsilon0 # Listed as k or k_C sometimes k_C coulombconst # Physico-chemical constants atomicmassunit_SI 1.66053906660e-27 # Unified atomic mass unit, defined as atomicmassunit 1.66053906660e-27 kg # Unified atomic mass unit, defined as u atomicmassunit # 1|12 of the mass of carbon 12. amu atomicmassunit # The relationship N_A u = 1 g/mol dalton u # is approximately, but not exactly Da dalton # true (with the 2019 SI). # Previously the mole was defined to # make this relationship exact. amu_chem 1.66026e-27 kg # 1|16 of the weighted average mass of # the 3 naturally occuring neutral # isotopes of oxygen amu_phys 1.65981e-27 kg # 1|16 of the mass of a neutral # oxygen 16 atom gasconstant k N_A # Molar gas constant (exact) R gasconstant kboltzmann boltzmann molarvolume mol R stdtemp / atm # Volume occupied by one mole of an # ideal gas at STP. loschmidt avogadro mol / molarvolume # Molecules per cubic meter of an # ideal gas at STP. Loschmidt did # work similar to Avogadro. molarvolume_si N_A siliconlattice^3 / 8 # Volume of a mole of crystalline # silicon. The unit cell contains 8 # silicon atoms and has a side # length of siliconlattice. stefanboltzmann pi^2 k^4 / 60 hbar^3 c^2 # The power per area radiated by a sigma stefanboltzmann # blackbody at temperature T is # given by sigma T^4. (exact) wiendisplacement (h c/k)/4.9651142317442763 # Wien's Displacement Law gives # the frequency at which the the # Planck spectrum has maximum # intensity. The relation is lambda # T = b where lambda is wavelength, # T is temperature and b is the Wien # displacement. This relation is # used to determine the temperature # of stars. The constant is the # solution to x=5(1-exp(-x)). # This expression has no experimental # error, and x is defined exactly # by the equation above, so it is # an exact definition. K_J90 483597.9 GHz/V # Direct measurement of the volt is difficult. Until K_J 2e/h # recently, laboratories kept Weston cadmium cells as # a reference, but they could drift. In 1987 the # CGPM officially recommended the use of the # Josephson effect as a laboratory representation of # the volt. The Josephson effect occurs when two # superconductors are separated by a thin insulating # layer. A "supercurrent" flows across the insulator # with a frequency that depends on the potential # applied across the superconductors. This frequency # can be very accurately measured. The Josephson # constant K_J relates the measured frequency to the # potential. Two values given, the conventional # (exact) value from 1990, which was used until the # 2019 SI revision, and the current exact value. R_K90 25812.807 ohm # Measurement of the ohm also presents difficulties. R_K h/e^2 # The old approach involved maintaining resistances # that were subject to drift. The new standard is # based on the Hall effect. When a current carrying # ribbon is placed in a magnetic field, a potential # difference develops across the ribbon. The ratio # of the potential difference to the current is # called the Hall resistance. Klaus von Klitzing # discovered in 1980 that the Hall resistance varies # in discrete jumps when the magnetic field is very # large and the temperature very low. This enables # accurate realization of the resistance h/e^2 in the # lab. The 1990 value was an exact conventional # value used until the SI revision in 2019. This value # did not agree with measurements. The new value # is exact. # The 2019 update to SI gives exact definitions for R_K and K_J. Previously # the electromagnetic units were realized using the 1990 conventional values # for these constants, and as a result, the standard definitions were in some # sense outside of SI. The revision corrects this problem. The definitions # below give the 1990 conventional values for the electromagnetic units in # terms of 2019 SI. ampere90 (K_J90 R_K90 / K_J R_K) A coulomb90 (K_J90 R_K90 / K_J R_K) C farad90 (R_K90/R_K) F henry90 (R_K/R_K90) H ohm90 (R_K/R_K90) ohm volt90 (K_J90/K_J) V watt90 (K_J90^2 R_K90 / K_J^2 R_K) W # Various conventional values gravity 9.80665 m/s^2 # std acceleration of gravity (exact) # Established by the 3rd CGPM in # 1901. This is a nominal midrange # value, originally based on the # acceleration of a body at sea # level at 45 degrees latitude. # The value was actually determined # by measuring at the International # Bureau and correcting the # measurement by a theoretical # cofficient to get the 45 deg # latitude sea level value. # (Wikipedia: Standard gravity) force gravity # use to turn masses into forces atm 101325 Pa # Standard atmospheric pressure atmosphere atm Hg 13.5951 gram force / cm^3 # Standard weight of mercury (exact) water gram force/cm^3 # Standard weight of water (exact) waterdensity gram / cm^3 # Density of water H2O water wc water # water column mach 331.46 m/s # speed of sound in dry air at STP standardtemp 273.15 K # standard temperature stdtemp standardtemp normaltemp tempF(70) # for gas density, from NIST normtemp normaltemp # Handbook 44 # Weight of mercury and water at different temperatures using the standard # force of gravity. Hg10C 13.5708 force gram / cm^3 # These units, when used to form Hg20C 13.5462 force gram / cm^3 # pressure measures, are not accurate Hg23C 13.5386 force gram / cm^3 # because of considerations of the Hg30C 13.5217 force gram / cm^3 # revised practical temperature scale. Hg40C 13.4973 force gram / cm^3 Hg60F 13.5574 force gram / cm^3 H2O0C 0.99987 force gram / cm^3 H2O5C 0.99999 force gram / cm^3 H2O10C 0.99973 force gram / cm^3 H2O15C 0.99913 force gram / cm^3 H2O18C 0.99862 force gram / cm^3 H2O20C 0.99823 force gram / cm^3 H2O25C 0.99707 force gram / cm^3 H2O50C 0.98807 force gram / cm^3 H2O100C 0.95838 force gram / cm^3 # Atomic constants hartree 4.3597447222071e-18 J # Approximate electric potential energy E_h hartree # of the hydrogen atom in its ground # state, and approximately twice its # ionization energy. The hartree # energy is traditionally defined as # coulombconst^2 m_e e^4 / hbar^2, # but it can be measured to greater # precision using the relationship # hartree = 2 h c Rinfinity # because Rinfinity is one of the # most accurately measured physical # constants. Because h and c are # exact we can choose either hartree # or Rinfinity from CODATA to use as # the primary value without # affecting the precision. Rinfinity hartree / 2 h c # The wavelengths of a spectral series R_H Rinfinity m_p / (m_e + m_p) # can be expressed as # 1/lambda = R (1/m^2 - 1/n^2). # where R is a number that various # slightly from element to element. # For hydrogen, R_H is the value, # and for heavy elements, the value # approaches Rinfinity, which can be # computed from # Rinfinity = m_e c alpha^2 / 2 h # with loss of precision. Rinfinity # is one of the most accurately # measured physical constants and is # known to higher precision than m_e # or alpha. alpha 7.2973525693e-3 # The fine structure constant was # introduced to explain fine # structure visible in spectral # lines. bohrradius alpha / 4 pi Rinfinity prout 185.5 keV # nuclear binding energy equal to 1|12 # binding energy of the deuteron conductancequantum 2 e^2 / h # Particle radius electronradius coulombconst e^2 / electronmass c^2 # Classical deuteronchargeradius 2.12799e-15 m protonchargeradius 0.8751e-15 m # Masses of elementary particles electronmass_SI electronmass_u atomicmassunit_SI electronmass_u 5.48579909065e-4 electronmass 5.48579909065e-4 u m_e electronmass muonmass 0.1134289259 u m_mu muonmass taumass 1.90754 u m_tau taumass protonmass 1.007276466621 u m_p protonmass neutronmass 1.00866491595 u m_n neutronmass deuteronmass 2.013553212745 u # Nucleus of deuterium, one m_d deuteronmass # proton and one neutron alphaparticlemass 4.001506179127 u # Nucleus of He, two protons m_alpha alphaparticlemass # and two neutrons tritonmass 3.01550071621 u # Nucleius of H3, one proton m_t tritonmass # and two neutrons helionmass 3.014932247175 u # Nucleus of He3, two protons m_h helionmass # and one neutron # particle wavelengths: the compton wavelength of a particle is # defined as h / m c where m is the mass of the particle. electronwavelength h / m_e c lambda_C electronwavelength protonwavelength h / m_p c lambda_C,p protonwavelength neutronwavelength h / m_n c lambda_C,n neutronwavelength muonwavelength h / m_mu c lambda_C,mu muonwavelength # The g-factor or dimensionless magnetic moment is a quantity that # characterizes the magnetic moment of a particle. The electron g-factor is # one of the most precisely measured values in physics, with a relative # uncertainty of 1.7e-13. g_d 0.8574382338 # Deuteron g-factor g_e -2.00231930436256 # Electron g-factor g_h -4.255250615 # Helion g-factor g_mu -2.0023318418 # Muon g-factor g_n -3.82608545 # Neutron g-factor g_p 5.5856946893 # Proton g-factor g_t 5.957924931 # Triton g-factor fermicoupling 1.1663787e-5 / GeV^2 # Magnetic moments (derived from the more accurate g-factors) # # The magnetic moment is g * mu_ref * spin where in most cases # the reference is the nuclear magneton, and all of the particles # except the deuteron have spin 1/2. bohrmagneton e hbar / 2 electronmass # Reference magnetic moment for mu_B bohrmagneton # the electron nuclearmagneton e hbar / 2 protonmass # Convenient reference magnetic mu_N nuclearmagneton # moment for heavy particles mu_e g_e mu_B / 2 # Electron spin magnet moment mu_mu g_mu e hbar / 4 muonmass # Muon spin magnetic moment mu_p g_p mu_N / 2 # Proton magnetic moment mu_n g_n mu_N / 2 # Neutron magnetic moment mu_t g_t mu_N / 2 # Triton magnetic moment mu_d g_d mu_N # Deuteron magnetic moment, spin 1 mu_h g_h mu_N / 2 # Helion magnetic moment # # Units derived from physical constants # kgf kg force technicalatmosphere kgf / cm^2 at technicalatmosphere hyl kgf s^2 / m # Also gram-force s^2/m according to [15] mmHg mm Hg torr atm / 760 # The torr, named after Evangelista # Torricelli, and is very close to the mm Hg tor Pa # Suggested in 1913 but seldom used [24]. # Eventually renamed the Pascal. Don't # confuse the tor with the torr. inHg inch Hg inH2O inch water mmH2O mm water eV e V # Energy acquired by a particle with charge e electronvolt eV # when it is accelerated through 1 V lightyear c julianyear # The 365.25 day year is specified in ly lightyear # NIST publication 811 lightsecond c s lightminute c min parsec au / tan(arcsec) # Unit of length equal to distance pc parsec # from the Sun to a point having # heliocentric parallax of 1 # arcsec (derived from parallax # second). A distant object with # parallax theta will be about # (arcsec/theta) parsecs from the # Sun (using the approximation # that tan(theta) = theta). rydberg 1|2 hartree # Rydberg energy crith 0.089885 gram # The crith is the mass of one # liter of hydrogen at standard # temperature and pressure. amagatvolume molarvolume amagat mol/amagatvolume # Used to measure gas densities lorentz bohrmagneton / h c # Used to measure the extent # that the frequency of light # is shifted by a magnetic field. cminv h c / cm # Unit of energy used in infrared invcm cminv # spectroscopy. wavenumber cminv kcal_mol kcal_th / mol N_A # kcal/mol is used as a unit of # energy by physical chemists. # # CGS system based on centimeter, gram and second # dyne cm gram / s^2 # force dyn dyne erg cm dyne # energy poise gram / cm s # viscosity, honors Jean Poiseuille P poise rhe /poise # reciprocal viscosity stokes cm^2 / s # kinematic viscosity St stokes stoke stokes lentor stokes # old name Gal cm / s^2 # acceleration, used in geophysics galileo Gal # for Earth's gravitational field # (note that "gal" is for gallon # but "Gal" is the standard symbol # for the gal which is evidently a # shortened form of "galileo".) barye dyne/cm^2 # pressure barad barye # old name kayser 1/cm # Proposed as a unit for wavenumber balmer kayser # Even less common name than "kayser" kine cm/s # velocity bole g cm / s # momentum pond gram force glug gram force s^2 / cm # Mass which is accelerated at # 1 cm/s^2 by 1 gram force darcy centipoise cm^2 / s atm # Measures permeability to fluid flow. # One darcy is the permeability of a # medium that allows a flow of cc/s # of a liquid of centipoise viscosity # under a pressure gradient of # atm/cm. Named for H. Darcy. mobileohm cm / dyn s # mobile ohm, measure of mechanical # mobility mechanicalohm dyn s / cm # mechanical resistance acousticalohm dyn s / cm^5 # ratio of the sound pressure of # 1 dyn/cm^2 to a source of strength # 1 cm^3/s ray acousticalohm rayl dyn s / cm^3 # Specific acoustical resistance eotvos 1e-9 Gal/cm # Change in gravitational acceleration # over horizontal distance # # Electromagnetic CGS Units # # For measuring electromagnetic quantities in SI, we introduce the new base # dimension of current, define the ampere to measure current, and derive the # other electromagnetic units from the ampere. With the CGS units one approach # is to use the basic equations of electromagnetism to define units that # eliminate constants from those equations. Coulomb's law has the form # # F = k_C q1 q2 / r^2 # # where k_C is the Coulomb constant equal to 1|4 pi epsilon0 in SI units. # Ampere's force law takes the form # # dF/dl = 2 k_A I1 I2 / r # # where k_A is the ampere constant. In the CGS system we force either k_C or # k_A to 1 which then defines either a unit for charge or a unit for current. # The other unit then becomes a derived unit. When k_C is 1 the ESU system # results. When k_A is 1 the EMU system results. Note that these parameters # are not independent of each other: Maxwell's equations indicate that # # k_C / k_A = c^2 # # where c is the speed of light. # # One more choice is needed to define a complete system. Using Coulomb's law # we define the electric field as the force per unit charge # # E = k_C 1 / r^2. # # But what about the magnetic field? It is derived from Ampere's law but we # have the option of adding a proportionality constant, k_B, that may have # dimensions: # # B = 2 k_A k_B I / r # # We can choose k_B = 1, which is done in the SI, ESU and EMU systems. But if # instead we give k_B units of length/time then the magnetic field has # the same units as the electric field. This choice leads to the Gaussian # and Heaviside-Lorentz systems. # # The relations above are used to determine the dimensions, but the units are # derived from the base units of CGS, not directly from those formulas. We # will use the notation [unit] to refer to the dimension of the unit in # brackets. This same process gives rise to the SI units such as the tesla, # which is defined by # # [tesla] = [2 (1/4 pi c^2 epsilon0) amp / m] = [(mu0 / 2) amp / m] # # which gives kg / A s^2 as expected. # # References: # # Classical Electrodynamics by John David Jackson, 3rd edition. # Cardarelli, Francois. 1999. Scientific Unit Conversion. 2nd ed. Trans. # M.J. Shields. London: Springer-Verlag. ISBN 1-85233-043-0 # # # All of the CGS systems result in electromagnetic units that involve the square # roots of the centimeter and gram. This requires a change in the primitive # units. # !var UNITS_SYSTEM esu emu gaussian gauss hlu sqrt_cm ! sqrt_centimeter sqrt_cm +m 100 sqrt_cm^2 sqrt_g ! sqrt_gram sqrt_g +kg kilo sqrt_g^2 !endvar # Electrostatic CGS (ESU) # # This system uses the statcoulomb as the fundamental unit of charge, with # derived units that parallel the conventional terminology but use the stat- # prefix. The statcoulomb is designed by setting k_C=1, which means # # dyne = statcoulomb^2 / cm^2. # # The statcoulomb is also called the franklin or esu. # # The ESU system was specified by a committee report in 1873 and rarely used. statcoulomb 10 coulomb cm / s c # Charge such that two charges esu statcoulomb # of 1 statC separated by 1 cm statcoul statcoulomb # exert a force of 1 dyne statC statcoulomb stC statcoulomb franklin statcoulomb Fr franklin !var UNITS_SYSTEM esu !message CGS-ESU units selected !prompt (ESU) +statcoulomb sqrt(dyne) cm +A 10 c_SI statamp +mu0 1/c^2 +coulombconst 1 !endvar statampere statcoulomb / s statamp statampere statA statampere stA statampere statvolt dyne cm / statamp sec statV statvolt stV statvolt statfarad statamp sec / statvolt statF statfarad stF statfarad cmcapacitance statfarad stathenry statvolt sec / statamp statH stathenry stH stathenry statohm statvolt / statamp stohm statohm statmho /statohm stmho statmho statweber statvolt sec statWb statweber stWb statweber stattesla statWb/cm^2 # Defined by analogy with SI; rarely statT stattesla # if ever used stT stattesla debye 1e-10 statC angstrom # unit of electrical dipole moment helmholtz debye/angstrom^2 # Dipole moment per area jar 1000 statfarad # approx capacitance of Leyden jar # Electromagnetic CGS (EMU) # # The abampere is the fundamental unit of this system, with the derived units # using the ab- prefix. The dimensions of the abampere are defined by assuming # that k_A=1, which # # [dyne / cm] = [2 abampere^2 / cm] # # where the brackets indicate taking the dimension of the unit in base units # and discarding any constant factors. This results in the definition from # base CGS units of: # # abampere = sqrt(dyne). # # The abampere is also called the biot. The magnetic field unit (the gauss) # follows from the assumption that k_B=1, which means # # B = 2 I / r, # # and hence the dimensions of the gauss are given by # # [gauss] = [2 abampere / cm] # # or rewriting in terms of the base units # # gauss = abampere / cm. # # The definition given below is different because it is in a form that # gives a valid reduction for SI and ESU and still gives the correct # result in EMU. (It can be derived from Faraday's law.) # # The EMU system was developed by Gauss and Weber and formalized as a system in # a committee report by the British Association for the Advancement of Science # in 1873. abampere 10 A # Current which produces a force of abamp abampere # 2 dyne/cm between two infinitely aA abampere # long wires that are 1 cm apart abA abampere biot abampere Bi biot !var UNITS_SYSTEM emu !message CGS-EMU units selected !prompt (EMU) +abampere sqrt(dyne) +A 0.1 abamp +mu0 1 +coulombconst c^2 !endvar abcoulomb abamp sec abcoul abcoulomb abC abcoulomb abfarad abampere sec / abvolt abF abfarad abhenry abvolt sec / abamp abH abhenry abvolt dyne cm / abamp sec abV abvolt abohm abvolt / abamp abmho /abohm gauss abvolt sec / cm^2 # The magnetic field 2 cm from a wire Gs gauss # carrying a current of 1 abampere maxwell gauss cm^2 # Also called the "line" Mx maxwell oersted gauss / mu0 # From the relation H = B / mu Oe oersted gilbert gauss cm / mu0 Gb gilbert Gi gilbert unitpole 4 pi maxwell # unit magnetic pole emu erg/gauss # "electro-magnetic unit", a measure of # magnetic moment, often used as emu/cm^3 # to specify magnetic moment density. # Electromagnetic CGS (Gaussian) # # The Gaussian system uses the statcoulomb and statamp from the ESU system # derived by setting k_C=1, but it defines the magnetic field unit differently # by taking k_B=c instead of k_B=1. As noted above, k_C and k_A are not # independent. With k_C=1 we must have k_A=c^-2. This results in the magnetic # field unit, the gauss, having dimensions give by: # # [gauss] = [2 (c^-2) c statamp / cm] = [statamp / c cm] # # We then define the gauss using base CGS units to obtain # # gauss = statamp / ((cm/s) cm) = statcoulomb / cm^2. # # Note that this definition happens to give the same result as the definition # for the EMU system, so the definitions of the gauss are consistent. # # This definition gives the same dimensions for the E and B fields and was also # known as the "symmetric system". This system was proposed by Hertz in 1888. !var UNITS_SYSTEM gaussian gauss !message CGS-Gaussian units selected !prompt (Gaussian) !endvar !var UNITS_SYSTEM gaussian gauss natural-gauss +statcoulomb sqrt(dyne) cm +A 10 c_SI statamp +mu0 1 +epsilon0 1 +coulombconst 1 # The gauss is the B field produced +gauss statcoulomb / cm^2 # 1 cm from a wire carrying a current +weber 1e8 maxwell # of 0.5*(c/(cm/s)) stA = 1.5e10 stA +bohrmagneton e hbar / 2 electronmass c +nuclearmagneton e hbar / 2 protonmass c !endvar # Electromagnetic CGS (Heaviside-Lorentz) # The Heaviside-Lorentz system is similar to the Gaussian system, but it is # "rationalized" so that factors of 4 pi do not appear in Maxwell's equations. # The SI system is similarly rationalized, but the other CGS systems are not. # # The factor of 4 pi appears instead in Coulomb's law, so in this system # k_C = 1 / 4 pi, which means the charge unit is defined by # # dyne = (1 / 4 pi) hlu_charge^2 / cm^2. # # Since we have the leading constant of (1 / 4pi) the numerical value of the # charge number is larger by sqrt(4pi), which in turns means that the HLU # charge unit is smaller by this multiple. But note that the dimensions of the # charge unit are the same as the Gaussian system, so both systems measure # charge with cm^(3/2) g^(1/2) / s, but the amount of charge for this dimension # differs by a factor of sqrt(4pi) between the two systems. # # Ampere's law for the Heaviside-Lorentz system has the form # # B = 1/(2 pi c) * I/r # The Heaviside-Lorentz system does not appear to have any named units, so we # use "hlu" for "Heaviside-Lorentz unit" so we can define values for the basic # units in this system. hlu_charge statcoulomb / sqrt(4 pi) hlu_current hlu_charge / sec hlu_volt erg / hlu_charge hlu_efield hlu_volt / cm hlu_bfield sqrt(4 pi) gauss !var UNITS_SYSTEM hlu !message CGS-Heaviside-Lorentz Units selected !prompt (HLU) !endvar !var UNITS_SYSTEM hlu natural planck planck-red +statcoulomb sqrt(dyne) cm sqrt(4 pi) +A 10 c_SI statamp +mu0 1 +epsilon0 1 # The gauss is the B field produced 1 cm from a wire carrying # a current of 0.5*(c/(cm/s)) stA, derived from Ampere's law +gauss (1/2 pi c) (0.5 c/(cm/s)) statamp / cm +weber 1e8 maxwell +bohrmagneton e hbar / 2 electronmass c +nuclearmagneton e hbar / 2 protonmass c !endvar # "Natural units" (high energy physics and cosmology) # # In particle physics "natural units" (which don't seem to have a more specific # name) are defined by setting hbar = c = boltzmann = 1. In this system the # electron volt is the only base unit. The electromagnetic units can be # derived from the rationalized Heaviside-Lorentz units or from Gaussian units. # The default form is the rationalized HLU derived version. # # The basic mechanical and thermodynamic definitions for the natural # units are identical in both systems. These appear below. The # natural-gauss system has additional electromagnetic redefinitions # that appear above in the "Electromagnetic CGS (Gaussian)" Section. # These are the Heaviside-Lorentz natural units natural_energy eV natural_charge e / sqrt(4 pi alpha) natural_time hbar / natural_energy natural_length natural_time c natural_mass natural_energy / c^2 natural_temp natural_energy / boltzmann natural_force natural_energy / natural_length natural_power natural_energy / natural_time natural_volt natural_energy / natural_charge natural_Efield natural_volt / natural_length natural_Bfield natural_Efield / c natural_current natural_charge / natural_time !var UNITS_SYSTEM natural !message Natural units selected (Heavyside-Lorentz based) !prompt (natural) !endvar !var UNITS_SYSTEM natural-gauss !message Natural units selected (Gaussian based) !prompt (natgauss) !endvar # These definitions are the same in both natural unit systems !var UNITS_SYSTEM natural natural-gauss +eV ! +h 2 pi +c 1 +boltzmann 1 +m e_SI / hbar_SI c_SI eV +kg (c_SI^2 / e_SI) eV +s e_SI / hbar_SI eV +K (k_SI / e_SI) eV !endvar # # Planck units # # Planck units are a set of "natural" units based on physical constants c, G, # hbar, boltzmann's constant, and epsilon0, often used when working with # gravitational theory. In planck units, all quantities are dimensionless. # Some variations are possible for exactly how the units are defined. We # provide two variations, the rationalized planck units and the # rationalized-reduced planck units. # # In both forms the units are defined by c = hbar = boltzmann = 1. # But the choice of rationalized and reduced affects how epsilon0 and G # are treated. # # In the "rationalized" units, factors of 4 pi do not appear in Maxwell's # equation, and Coulomb's law bears a factor of 1/4 pi. See the section on # the Heaviside-Lorentz units for more about this. The choice of rationalized # units means that epsilon0 = 1. (In the unrationalized case, which is not # supported, 1/(4 pi epsilon0) = 1.) # # The "reduced" units similarly are defined to eliminate factors of 8 pi # from the Einstein field equations for gravitation. With reduced units # we set 8 pi G = 1 and with the unreduced units, simply G = 1. # Rationalized, unreduced planck units planckmass sqrt(hbar c / G) m_P planckmass planckenergy planckmass c^2 E_P planckenergy plancktime hbar / planckenergy t_P plancktime plancklength plancktime c l_P plancklength plancktemperature planckenergy / k T_P plancktemperature planckforce planckenergy / plancklength planckcharge sqrt(epsilon0 hbar c) planckcurrent planckcharge / plancktime planckvolt planckenergy / planckcharge planckEfield planckvolt / plancklength planckBfield planckEfield / c # Rationalized, reduced planck units planckmass_red sqrt(hbar c / 8 pi G) planckenergy_red planckmass_red c^2 plancktime_red hbar / planckenergy_red plancklength_red plancktime_red c plancktemperature_red planckenergy_red / k planckforce_red planckenergy_red / plancklength_red planckcharge_red sqrt(epsilon0 hbar c) planckcurrent_red planckcharge_red / plancktime_red planckvolt_red planckenergy_red / planckcharge_red planckEfield_red planckvolt_red / plancklength_red planckBfield_red planckEfield_red /c !var UNITS_SYSTEM planck !message Planck units selected !prompt (planck) +c 1 +h 2 pi +G 1 +boltzmann 1 +kg sqrt(G_SI / hbar_SI c_SI) +s c_SI^2 / hbar_SI kg +m s / c_SI +K k_SI / hbar_SI s !endvar !var UNITS_SYSTEM planck-red !message Reduced planck units selected !prompt (planck reduced) +c 1 +h 2 pi +G 1/8 pi +boltzmann 1 +kg sqrt(8 pi G_SI / hbar_SI c_SI) +s c_SI^2 / hbar_SI kg +m s / c_SI +K k_SI / hbar_SI s !endvar # # Some historical electromagnetic units # intampere 0.999835 A # Defined as the current which in one intamp intampere # second deposits .001118 gram of # silver from an aqueous solution of # silver nitrate. intfarad 0.999505 F intvolt 1.00033 V intohm 1.000495 ohm # Defined as the resistance of a # uniform column of mercury containing # 14.4521 gram in a column 1.063 m # long and maintained at 0 degC. daniell 1.042 V # Meant to be electromotive force of a # Daniell cell, but in error by .04 V faraday N_A e mol # Charge that must flow to deposit or faraday_phys 96521.9 C # liberate one gram equivalent of any faraday_chem 96495.7 C # element. (The chemical and physical # values are off slightly from what is # obtained by multiplying by amu_chem # or amu_phys. These values are from # a 1991 NIST publication.) Note that # there is a Faraday constant which is # equal to N_A e and hence has units of # C/mol. kappline 6000 maxwell # Named by and for Gisbert Kapp siemensunit 0.9534 ohm # Resistance of a meter long column of # mercury with a 1 mm cross section. # # Printed circuit board units. # # http://www.ndt-ed.org/GeneralResources/IACS/IACS.htm. # # Conductivity is often expressed as a percentage of IACS. A copper wire a # meter long with a 1 mm^2 cross section has a resistance of 1|58 ohm at # 20 deg C. Copper density also has a standard IACS value at that temperature. # copperconductivity 58 siemens m / mm^2 # A wire a meter long with IACS copperconductivity # a 1 mm^2 cross section copperdensity 8.89 g/cm^3 # The "ounce" measures the ouncecopper oz / ft^2 copperdensity # thickness of copper used ozcu ouncecopper # in circuitboard fabrication # # Photometric units # LUMINOUS_INTENSITY candela LUMINOUS_FLUX lumen LUMINOUS_ENERGY talbot ILLUMINANCE lux EXITANCE lux candle 1.02 candela # Standard unit for luminous intensity hefnerunit 0.9 candle # in use before candela hefnercandle hefnerunit # violle 20.17 cd # luminous intensity of 1 cm^2 of # platinum at its temperature of # solidification (2045 K) lumen cd sr # Luminous flux (luminous energy per lm lumen # time unit) talbot lumen s # Luminous energy lumberg talbot # References give these values for lumerg talbot # lumerg and lumberg both. Note that # a paper from 1948 suggests that # lumerg should be 1e-7 talbots so # that lumergs/erg = talbots/joule. # lumerg = luminous erg lux lm/m^2 # Illuminance or exitance (luminous lx lux # flux incident on or coming from phot lumen / cm^2 # a surface) ph phot # footcandle lumen/ft^2 # Illuminance from a 1 candela source # at a distance of one foot metercandle lumen/m^2 # Illuminance from a 1 candela source # at a distance of one meter mcs metercandle s # luminous energy per area, used to # measure photographic exposure nox 1e-3 lux # These two units were proposed for skot 1e-3 apostilb # measurements relating to dark adapted # eyes. # Luminance measures LUMINANCE nit nit cd/m^2 # Luminance: the intensity per projected stilb cd / cm^2 # area of an extended luminous source. sb stilb # (nit is from latin nitere = to shine.) apostilb cd/pi m^2 asb apostilb blondel apostilb # Named after a French scientist. # Equivalent luminance measures. These units are units which measure # the luminance of a surface with a specified exitance which obeys # Lambert's law. (Lambert's law specifies that luminous intensity of # a perfectly diffuse luminous surface is proportional to the cosine # of the angle at which you view the luminous surface.) equivalentlux cd / pi m^2 # luminance of a 1 lux surface equivalentphot cd / pi cm^2 # luminance of a 1 phot surface lambert cd / pi cm^2 footlambert cd / pi ft^2 # The bril is used to express "brilliance" of a source of light on a # logarithmic scale to correspond to subjective perception. An increase of 1 # bril means doubling the luminance. A luminance of 1 lambert is defined to # have a brilliance of 1 bril. bril(x) units=[1;lambert] 2^(x+-100) lamberts ;log2(bril/lambert)+100 # Some luminance data from the IES Lighting Handbook, 8th ed, 1993 sunlum 1.6e9 cd/m^2 # at zenith sunillum 100e3 lux # clear sky sunillum_o 10e3 lux # overcast sky sunlum_h 6e6 cd/m^2 # value at horizon skylum 8000 cd/m^2 # average, clear sky skylum_o 2000 cd/m^2 # average, overcast sky moonlum 2500 cd/m^2 # # Photographic Exposure Value # This section by Jeff Conrad (jeff_conrad@msn.com) # # The Additive system of Photographic EXposure (APEX) proposed in ASA # PH2.5-1960 was an attempt to simplify exposure determination for people who # relied on exposure tables rather than exposure meters. Shortly thereafter, # nearly all cameras incorporated exposure meters, so the APEX system never # caught on, but the concept of exposure value remains in use. Though given as # 'Ev' in ASA PH2.5-1960, it is now more commonly indicated by 'EV'. EV is # related to exposure parameters by # # A^2 LS ES # 2^EV = --- = -- = -- # t K C # # Where # A = Relative aperture (f-number) # t = Exposure time in seconds # L = Scene luminance in cd/m2 # E = Scene illuminance in lux # S = Arithmetic ISO speed # K = Reflected-light meter calibration constant # C = Incident-light meter calibration constant # # Strictly, an exposure value is a combination of aperture and exposure time, # but it's also commonly used to indicate luminance (or illuminance). # Conversion to luminance or illuminance units depends on the ISO speed and the # meter calibration constant. Common practice is to use an ISO speed of 100. # Calibration constants vary among camera and meter manufacturers: Canon, # Nikon, and Sekonic use a value of 12.5 for reflected-light meters, while # Kenko (formerly Minolta) and Pentax use a value of 14. Kenko and Sekonic use # a value of 250 for incident-light meters with flat receptors. # # The values for in-camera meters apply only averaging, weighted-averaging, or # spot metering--the multi-segment metering incorporated in most current # cameras uses proprietary algorithms that evaluate many factors related to the # luminance distribution of what is being metered; they are not amenable to # simple conversions, and are usually not disclosed by the manufacturers. s100 100 / lx s # ISO 100 speed iso100 s100 # Reflected-light meter calibration constant with ISO 100 speed k1250 12.5 (cd/m2) / lx s # For Canon, Nikon, and Sekonic k1400 14 (cd/m2) / lx s # For Kenko (Minolta) and Pentax # Incident-light meter calibration constant with ISO 100 film c250 250 lx / lx s # flat-disc receptor # Exposure value to scene luminance with ISO 100 imaging media # For Kenko (Minolta) or Pentax #ev100(x) units=[;cd/m^2] range=(0,) 2^x k1400 / s100; log2(ev100 s100/k1400) # For Canon, Nikon, or Sekonic ev100(x) units=[1;cd/m^2] range=(0,) 2^x k1250 / s100; log2(ev100 s100/k1250) EV100() ev100 # Exposure value to scene illuminance with ISO 100 imaging media iv100(x) units=[1;lx] range=(0,) 2^x c250 / s100; log2(iv100 s100 / c250) # Other Photographic Exposure Conversions # # As part of APEX, ASA PH2.5-1960 proposed several logarithmic quantities # related by # # Ev = Av + Tv = Bv + Sv # # where # Av = log2(A^2) Aperture value # Tv = log2(1/t) Time value # Sv = log2(N Sx) Speed value # Bv = log2(B S / K) Luminance ("brightness") value # Iv = log2(I S / C) Illuminance value # # and # A = Relative aperture (f-number) # t = Exposure time in seconds # Sx = Arithmetic ISO speed in 1/lux s # B = luminance in cd/m2 # I = luminance in lux # The constant N derives from the arcane relationship between arithmetic # and logarithmic speed given in ASA PH2.5-1960. That relationship # apparently was not obvious--so much so that it was thought necessary # to explain it in PH2.12-1961. The constant has had several values # over the years, usually without explanation for the changes. Although # APEX had little impact on consumer cameras, it has seen a partial # resurrection in the Exif standards published by the Camera & Imaging # Products Association of Japan. #N_apex 2^-1.75 lx s # precise value implied in ASA PH2.12-1961, # derived from ASA PH2.5-1960. #N_apex 0.30 lx s # rounded value in ASA PH2.5-1960, # ASA PH2.12-1961, and ANSI PH2.7-1986 #N_apex 0.3162 lx s # value in ANSI PH2.7-1973 N_exif 1|3.125 lx s # value in Exif 2.3 (2010), making Sv(5) = 100 K_apex1961 11.4 (cd/m2) / lx s # value in ASA PH2.12-1961 K_apex1971 12.5 (cd/m2) / lx s # value in ANSI PH3.49-1971; more common C_apex1961 224 lx / lx s # value in PH2.12-1961 (20.83 for I in # footcandles; flat sensor?) C_apex1971 322 lx / lx s # mean value in PH3.49-1971 (30 +/- 5 for I in # footcandles; hemispherical sensor?) N_speed N_exif K_lum K_apex1971 C_illum C_apex1961 # Units for Photographic Exposure Variables # # Practical photography sometimes pays scant attention to units for exposure # variables. In particular, the "speed" of the imaging medium is treated as if # it were dimensionless when it should have units of reciprocal lux seconds; # this practice works only because "speed" is almost invariably given in # accordance with international standards (or similar ones used by camera # manufacturers)--so the assumed units are invariant. In calculating # logarithmic quantities--especially the time value Tv and the exposure value # EV--the units for exposure time ("shutter speed") are often ignored; this # practice works only because the units of exposure time are assumed to be in # seconds, and the missing units that make the argument to the logarithmic # function dimensionless are silently provided. # # In keeping with common practice, the definitions that follow treat "speeds" # as dimensionless, so ISO 100 speed is given simply as '100'. When # calculating the logarithmic APEX quantities Av and Tv, the definitions # provide the missing units, so the times can be given with any appropriate # units. For example, giving an exposure time of 1 minute as either '1 min' or # '60 s' will result in Tv of -5.9068906. # # Exposure Value from f-number and Exposure Time # # Because nonlinear unit conversions only accept a single quantity, # there is no direct conversion from f-number and exposure time to # exposure value EV. But the EV can be obtained from a combination of # Av and Tv. For example, the "sunny 16" rule states that correct # exposure for a sunlit scene can achieved by using f/16 and an exposure # time equal to the reciprocal of the ISO speed in seconds; this can be # calculated as # # ~Av(16) + ~Tv(1|100 s), # # which gives 14.643856. These conversions may be combined with the # ev100 conversion: # # ev100(~Av(16) + ~Tv(1|100 s)) # # to yield the assumed average scene luminance of 3200 cd/m^2. # convert relative aperture (f-number) to aperture value Av(A) units=[1;1] domain=[-2,) range=[0.5,) 2^(A/2); 2 log2(Av) # convert exposure time to time value Tv(t) units=[1;s] range=(0,) 2^(-t) s; log2(s / Tv) # convert logarithmic speed Sv in ASA PH2.5-1960 to ASA/ISO arithmetic speed; # make arithmetic speed dimensionless # 'Sv' conflicts with the symbol for sievert; you can uncomment this function # definition if you don't need that symbol #Sv(S) units=[1;1] range=(0,) 2^S / (N_speed/lx s); log2((N_speed/lx s) Sv) Sval(S) units=[1;1] range=(0,) 2^S / (N_speed/lx s); log2((N_speed/lx s) Sval) # convert luminance value Bv in ASA PH2.12-1961 to luminance Bv(x) units=[1;cd/m^2] range=(0,) \ 2^x K_lum N_speed ; log2(Bv / (K_lum N_speed)) # convert illuminance value Iv in ASA PH2.12-1961 to illuminance Iv(x) units=[1;lx] range=(0,) \ 2^x C_illum N_speed ; log2(Iv / (C_illum N_speed)) # convert ASA/ISO arithmetic speed Sx to ASA logarithmic speed in # ASA PH2.5-1960; make arithmetic speed dimensionless Sx(S) units=[1;1] domain=(0,) \ log2((N_speed/lx s) S); 2^Sx / (N_speed/lx s) # convert DIN speed/ISO logarithmic speed in ISO 6:1993 to arithmetic speed # for convenience, speed is treated here as if it were dimensionless Sdeg(S) units=[1;1] range=(0,) 10^((S - 1) / 10) ; (1 + 10 log(Sdeg)) Sdin() Sdeg # Numerical Aperture and f-Number of a Lens # # The numerical aperture (NA) is given by # # NA = n sin(theta) # # where n is the index of refraction of the medium and theta is half # of the angle subtended by the aperture stop from a point in the image # or object plane. For a lens in air, n = 1, and # # NA = 0.5 / f-number # # convert NA to f-number numericalaperture(x) units=[1;1] domain=(0,1] range=[0.5,) \ 0.5 / x ; 0.5 / numericalaperture NA() numericalaperture # # convert f-number to itself; restrict values to those possible fnumber(x) units=[1;1] domain=[0.5,) range=[0.5,) x ; fnumber # Referenced Photographic Standards # # ASA PH-2.5-1960. USA Standard, Method for Determining (Monochrome, # Continuous-Tone) Speed of Photographic Negative Materials. # ASA PH2.12-1961. American Standard, General-Purpose Photographic # Exposure Meters (photoelectric type). # ANSI PH3.49-1971. American National Standard for general-purpose # photographic exposure meters (photoelectric type). # ANSI PH2.7-1973. American National Standard Photographic Exposure Guide. # ANSI PH2.7-1986. American National Standard for Photography -- # Photographic Exposure Guide. # CIPA DC-008-2010. Exchangeable image file format for digital still # cameras: Exif Version 2.3 # ISO 6:1993. International Standard, Photography -- Black-and-white # pictorial still camera negative film/process systems -- # Determination of ISO Speed. # # Astronomical time measurements # # Astronomical time measurement is a complicated matter. The length of the # true day at a given place can be 21 seconds less than 24 hours or 30 seconds # over 24 hours. The two main reasons for this are the varying speed of # Earth in its elliptical orbit and the fact that the Sun moves on the ecliptic # instead of along the celestial equator. To devise a workable system for time # measurement, Simon Newcomb (1835-1909) used a fictitious "mean Sun". # Consider a first fictitious Sun traveling along the ecliptic at a constant # speed and coinciding with the true Sun at perigee and apogee. Then # considering a second fictitious Sun traveling along the celestial equator at # a constant speed and coinciding with the first fictitious Sun at the # equinoxes. The second fictitious Sun is the "mean Sun". From this equations # can be written out to determine the length of the mean day, and the tropical # year. The length of the second was determined based on the tropical year # from such a calculation and was officially used from 1960-1967 until atomic # clocks replaced astronomical measurements for a standard of time. All of the # values below give the mean time for the specified interval. # # See "Mathematical Astronomy Morsels" by Jean Meeus for more details # and a description of how to compute the correction to mean time. # TIME second anomalisticyear 365.2596 days # The time between successive # perihelion passages of # Earth. siderealyear 365.256360417 day # The time for Earth to make # one revolution around the Sun # relative to the stars. tropicalyear 365.242198781 day # The time needed for the mean Sun # as defined above to increase # its longitude by 360 degrees. # Most references defined the # tropical year as the interval # between vernal equinoxes, but # this is misleading. The length # of the season changes over time # because of the eccentricity of # Earth's orbit. The time # between vernal equinoxes is # approximately 365.24237 days # around the year 2000. See # "Mathematical Astronomy # Morsels" for more details. eclipseyear 346.62 days # The line of nodes is the # intersection of the plane of # Earth's orbit around the Sun # with the plane of the Moon's # orbit around Earth. Eclipses # can only occur when the Moon # and Sun are close to this # line. The line rotates and # appearances of the Sun on the # line of nodes occur every # eclipse year. saros 223 synodicmonth # The Earth, Moon and Sun appear in # the same arrangement every # saros, so if an eclipse occurs, # then one saros later, a similar # eclipse will occur. (The saros # is close to 19 eclipse years.) # The eclipse will occur about # 120 degrees west of the # preceding one because the # saros is not an even number of # days. After 3 saros, an # eclipse will occur at # approximately the same place. solarday day # Time from noon to noon siderealday 86164.09054 s # The sidereal day is the interval siderealhour 1|24 siderealday # between two successive transits siderealminute 1|60 siderealhour # of a star over the meridian, siderealsecond 1|60 siderealminute # or the time required for # Earth to make one rotation # relative to the stars. Another # way to think about it is to # imagine looking down at the # solar system and noting when # Earth has made a rotation. # The more usual solar day is the # time required to make a # rotation relative to the Sun, # which means the same point on # Earth faces the Sun again. # Because Earth moves in its # orbit, it has to rotate a bit # more to face the Sun again, # hence the solar day is slightly # longer than the sidereal day. # The value given here is the # mean day length taken from # ssd.jpl.nasa.gov/astro_par.html # which in turn cites the # "Explanatory Supplement to the # Astronomical Almanac", 1992. anomalisticmonth 27.55454977 day # Time for the Moon to travel from # perigee to perigee nodicalmonth 27.2122199 day # The nodes are the points where draconicmonth nodicalmonth # an orbit crosses the ecliptic. draconiticmonth nodicalmonth # This is the time required to # travel from the ascending node # to the next ascending node. siderealmonth 27.321661 day # Time required for the Moon to # orbit the Earth lunarmonth 29 days + 12 hours + 44 minutes + 2.8 seconds # Mean time between full moons. synodicmonth lunarmonth # Full moons occur when the Sun lunation synodicmonth # and Moon are on opposite sides lune 1|30 lunation # of the Earth. Since the Earth lunour 1|24 lune # moves around the Sun, the Moon # has to move a bit further in its # orbit to return to the full moon # configuration. year tropicalyear yr year month 1|12 year mo month lustrum 5 years # The Lustrum was a Roman # purification ceremony that took # place every five years. # Classically educated Englishmen # used this term. decade 10 years century 100 years millennium 1000 years millennia millennium solaryear year lunaryear 12 lunarmonth calendaryear 365 day commonyear 365 day leapyear 366 day julianyear 365.25 day gregorianyear 365.2425 day islamicyear 354 day # A year of 12 lunar months. They islamicleapyear 355 day # began counting on July 16, AD 622 # when Muhammad emigrated to Medina # (the year of the Hegira). They need # 11 leap days in 30 years to stay in # sync with the lunar year which is a # bit longer than the 29.5 days of the # average month. The months do not # keep to the same seasons, but # regress through the seasons every # 32.5 years. islamicmonth 1|12 islamicyear # They have 29 day and 30 day months. # The Hebrew year is also based on lunar months, but synchronized to the solar # calendar. The months vary irregularly between 29 and 30 days in length, and # the years likewise vary. The regular year is 353, 354, or 355 days long. To # keep up with the solar calendar, a leap month of 30 days is inserted every # 3rd, 6th, 8th, 11th, 14th, 17th, and 19th years of a 19 year cycle. This # gives leap years that last 383, 384, or 385 days. # # Planetary data from JPL's planet fact sheets. Each planet has its # own sheet at https://nssdc.gsfc.nasa.gov/planetary/factsheet/fact.html # The source for data on the fact sheets is described at # https://nssdc.gsfc.nasa.gov/planetary/factsheet/fact_notes.html # and they also indicate that the values listed are not "official" values: # there is no no single set of agreed upon values. # Sidereal days. The sidereal day is the time required for a planet to make a # revolution relative to the stars. This is the default day value. mercuryday mercuryday_sidereal venusday venusday_sidereal earthday earthday_sidereal marsday marsday_sidereal jupiterday jupiterday_sidereal saturnday saturnday_sidereal uranusday uranusday_sidereal neptuneday neptuneday_sidereal plutoday plutoday_sidereal mercuryday_sidereal 1407.6 hr # Mercury is in a 3:2 resonance lock # where it makes 3 rotations per 2 orbits # so 3 sidereal days = 2 years venusday_sidereal 5832.6 hr # Retrograde earthday_sidereal siderealday marsday_sidereal 24.6229 hr jupiterday_sidereal 9.9250 hr saturnday_sidereal 10.656 hr uranusday_sidereal 17.24 hr # Retrograde neptuneday_sidereal 16.11 hr plutoday_sidereal 153.2928 hr # Retrograde # In astronomy, an object's rotation is "prograde" if it rotates in # the same direction as the primary object it orbits. Prograde # rotation is the more common case: in Earth's solar system, Mercury, # Earth, Mars, Jupiter, Saturn, and Neptune have prograde rotation. # When an object rotates opposite the direction of its primary object, # the object's rotation is "retrograde". Venus, Uranus, and Pluto have # retrograde rotation. # # The solar (or synodic) day is the time from noon to noon on a planet. This # is different from the sidereal day because the planet has moved in its orbit, # so (if its rotation is prograde) it needs additional rotation to return to # the same orientation relative to the Sun. In one orbital period (a year), # this amounts to one additional complete rotation, so the number of sidereal # days in a year is one greater than the number of solar days. # # If the planet's rotation is retrograde, less rotation is needed to return to # the same orientation relative to the Sun, and the number of sidereal days in # a year is one fewer than the number of solar days. # # The solar day can be computed from the sidereal day in the typical prograde # case by: # solar_day = sidereal_day year / (year - sidereal_day) # If the planet's rotation is retrograde like Venus then the formula is # solar_day = sidereal_day year / (year + sidereal_day) # If the sidereal day and year are the same length then the same face of the # planet faces the Sun and there is no solar day. mercuryday_solar 4222.6 hr venusday_solar 2802.0 hr earthday_solar 24 hr marsday_solar 24.6597 hr jupiterday_solar 9.9259 hr saturnday_solar 10.656 hr uranusday_solar 17.24 hr neptuneday_solar 16.11 hr plutoday_solar 153.2820 hr # Sidereal years mercuryyear 87.969 day venusyear 224.701 day earthyear siderealyear marsyear 686.980 day jupiteryear 4332.589 day saturnyear 10759.22 day uranusyear 30685.4 day neptuneyear 60189 day plutoyear 90560 day # Equatorial radii for the planets from JPL fact sheets mercuryradius 2440.5 km venusradius 6051.8 km earthradius 6371.01 km marsradius 3396.2 km jupiterradius 71492 km # 1 bar level saturnradius 60268 km # 1 bar level uranusradius 25559 km # 1 bar level neptuneradius 24764 km # 1 bar level plutoradius 1188 km mercurysundist_min 46.000 Gm mercurysundist_max 69.818 Gm venussundist_min 107.480 Gm venussundist_max 108.941 Gm earthsundist_min sundist_min earthsundist_max sundist_max marssundist_min 206.650 Gm marssundist_max 249.261 Gm jupitersundist_min 740.595 Gm jupitersundist_max 816.363 Gm saturnsundist_min 1357.554 Gm saturnsundist_max 1506.527 Gm uranussundist_min 2732.696 Gm uranussundist_max 3001.390 Gm neptunesundist_min 4471.050 Gm neptunesundist_max 4558.857 Gm plutosundist_min 4434.987 Gm plutosundist_max 7304.326 Gm sundist 1.0000010178 au # mean Earth-Sun distance moondist 3.844e8 m # mean Earth-Moon distance sundist_near 147.095 Gm # Earth-Sun distance at perihelion sundist_min sundist_near sundist_far 152.100 Gm # Earth-Sun distance at aphelion sundist_max sundist_far # The Earth-Moon distances at perigee and apogee are different for every # lunation. The values here are the extremes for 1500-2500 according to # Jean Meeus's Astronomical Algorithms (1991, 332). moondist_min 356.371 km # minimum distance at perigee 1500-2500 moondist_max 406.720 km # maximum distance at apogee 1500-2500 # Objects on Earth are charted relative to a perfect ellipsoid whose # dimensions are specified by different organizations. The ellipsoid is # specified by an equatorial radius and a flattening value which defines the # polar radius. These values are the 1996 values given by the International # Earth Rotation Service (IERS) whose reference documents can be found at # http://maia.usno.navy.mil/ earthflattening IERS_earthflattening earthradius_equatorial IERS_earthradius_equatorial earthradius_polar (1-earthflattening) earthradius_equatorial # The World Geodetic System maintains a standard, WGS84, which is used by the # the GPS system. This system uses a conventional ellipsoid that was fixed in # 1984 and has remained constant so that data collected at different times is # referenced to the same ellipsoid. https://epsg.io/4326 WGS84_earthflattening 1|298.257223563 WGS84_earthradius_equatorial 6378137 m WGS84_earthradius_polar (1-WGS84_earthflattening) WGS84_earthradius_equatorial # The International Earth Rotation Service (IERS) attempts to # maintain an accurate model of Earth, with updates to maintain the highest # possible accuracy, even though this makes it more difficult to relate geodetic # mesurements made at different times. Values below are from the 2017 standard. # https://iers-conventions.obspm.fr/content/chapter1/icc1.pdf IERS_earthflattening 1|298.25642 IERS_earthradius_equatorial 6378136.6 m IERS_earthradius_polar (1-IERS_earthflattening) IERS_earthradius_equatorial landarea 148.847e6 km^2 oceanarea 361.254e6 km^2 moonradius 1738 km # mean value sunradius 6.96e8 m # Many astronomical values can be measured most accurately in a system of units # using the astronomical unit and the mass of the Sun as base units. The # uncertainty in the gravitational constant makes conversion to SI units # significantly less accurate. # The astronomical unit was defined to be the length of the of the semimajor # axis of a massless object with the same year as Earth. With such a # definition in force, and with the mass of the Sun set equal to one, Kepler's # third law can be used to solve for the value of the gravitational constant. # Kepler's third law says that (2 pi / T)^2 a^3 = G M where T is the orbital # period, a is the size of the semimajor axis, G is the gravitational constant # and M is the mass. With M = 1 and T and a chosen for Earth's orbit, we # find sqrt(G) = (2 pi / T) sqrt(AU^3). This constant is called the Gaussian # gravitational constant, apparently because Gauss originally did the # calculations. However, when the original calculation was done, the value # for the length of Earth's year was inaccurate. The value used is called # the Gaussian year. Changing the astronomical unit to bring it into # agreement with more accurate values for the year would have invalidated a # lot of previous work, so instead the astronomical unit has been kept equal # to this original value. This is accomplished by using a standard value for # the Gaussian gravitational constant. This constant is called k. gauss_k 0.01720209895 # This beast has dimensions of # au^(3|2) / day and is exact. gaussianyear (2 pi / gauss_k) days # Year that corresponds to the Gaussian # gravitational constant. This is a # fictional year, and doesn't # correspond to any celestial event. astronomicalunit 149597870700 m # IAU definition from 2012, exact au astronomicalunit # ephemeris for the above described # astronomical unit. (See the NASA # site listed above.) GMsun 132712440041.279419 km^3 / s^2 # heliocentric gravitational constant solarmass GMsun/G # is known more accurately than G. sunmass solarmass # Estimated from DE440 # The following are masses for planetary systems, not just the planet itself, # except for the case of Earth, where the Moon is excluded. Masses are # relative to G because they are known much more accurately than G. # # See https://ssd.jpl.nasa.gov/astro_par.html. Values are from # the DE440 Ephermeris: https://ssd.jpl.nasa.gov/doc/Park.2021.AJ.DE440.pdf mercurymass 22031.868551 km^3 / s^2 G venusmass 324858.592000 km^3 / s^2 G marsmass 42828.375816 km^3 / s^2 G jupitermass 126712764.100000 km^3 / s^2 G saturnmass 37940584.841800 km^3 / s^2 G uranusmass 5794556.400000 km^3 / s^2 G neptunemass 6836527.100580 km^3 / s^2 G plutomass 975.500000 km^3 / s^2 G ceresmass 62.62890 km^3 / s^2 G vestamass 17.288245 km^3 / s^2 G earthmass 398600.435507 km^3 / s^2 G # Earth alone moonmass 4902.800118 km^3 / s^2 G moonearthmassratio moonmass/earthmass earthmoonmass earthmass+moonmass moongravity 1.62 m/s^2 # Earth gravity values at the equator and poles. These values are # obtained from the WGS84 model. gravity_equatorial 9.7803263359 m / s^2 gravity_polar 9.8321849378 m / s^2 # The Hubble constant gives the speed at which distance galaxies are moving # away from Earth according to v = H0*d, where H0 is the hubble constant # and d is the distance to the galaxy. hubble 70 km/s/Mpc # approximate H0 hubble # Parallax is the angular difference between the topocentric (on Earth's # surface) and geocentric (at Earth's center) direction toward a celestial body # when the body is at a given altitude. When the body is on the horizon, the # parallax is the horizontal parallax; when the body is on the horizon and the # observer is on the equator, the parallax is the equatorial horizontal # parallax. When the body is at zenith, the parallax is zero. lunarparallax asin(earthradius_equatorial / moondist) # Moon equatorial moonhp lunarparallax # horizontal parallax # at mean distance # Light from celestial objects is attenuated by passage through Earth's # atmosphere. A body near the horizon passes through much more air than an # object at zenith, and is consequently less bright. Air mass is the ratio of # the length of the optical path at a given altitude (angle above the horizon) # to the length at zenith. Air mass at zenith is by definition unity; at the # horizon, air mass is approximately 38, though the latter value can vary # considerably with atmospheric conditions. The general formula is # E = E0 # exp(-c X), where E0 is the value outside Earth's atmosphere, E is the value # seen by an observer, X is the air mass and c is the extinction coefficient. # A common value for c in reasonably clear air is 0.21, but values can be # considerably greater in urban areas. Apparent altitude is that perceived by # an observer; it includes the effect of atmospheric refraction. There is no # shortage of formulas for air mass # (https://en.wikipedia.org/wiki/Air_mass_(astronomy)); all are subject to # variations in local atmospheric conditions. The formula used here is simple # and is in good agreement with rigorously calculated values under standard # conditions. # # Extraterrestrial illuminance or luminance of an object at a given altitude # determined with vmag() or SB_xxx() below can be multiplied by # atm_transmission() or atm_transmissionz() to estimate the terrestrial value. # # Kasten and Young (1989) air mass formula. alt is apparent altitude # Reference: # Kasten, F., and A.T. Young. 1989. "Revised Optical Air Mass Tables # and Approximation Formula." Applied Optics. Vol. 28, 4735–4738. # Bibcode:1989ApOpt..28.4735K. doi:10.1364/AO.28.004735. airmass(alt) units=[degree;1] domain=[0,90] noerror \ 1 / (sin(alt) + 0.50572 (alt / degree + 6.07995)^-1.6364) # zenith is apparent zenith angle (zenith = 90 deg - alt) airmassz(zenith) units=[degree;1] domain=[0,90] noerror \ 1 / (cos(zenith) + 0.50572 (96.07995 - zenith / degree)^-1.6364) # For reasonably clear air at sea level; values may need adjustment for # elevation and local atmospheric conditions # for scotopic vision (510 nm), appropriate for the dark-adapted eye # extinction_coeff 0.26 # for photopic vision, appropriate for observing brighter objects such # as the full moon extinction_coeff 0.21 atm_transmission(alt) units=[degree;1] domain=[0,90] noerror \ exp(-extinction_coeff airmass(alt)) # in terms of zenith angle (zenith = 90 deg - alt) atm_transmissionz(zenith) units=[degree;1] domain=[0,90] noerror \ exp(-extinction_coeff airmassz(zenith)) # Moon and Sun data at mean distances moonvmag -12.74 # Moon apparent visual magnitude at mean distance sunvmag -26.74 # Sun apparent visual magnitude at mean distance moonsd asin(moonradius / moondist) # Moon angular semidiameter at mean distance sunsd asin(sunradius / sundist) # Sun angular semidiameter at mean distance # Visual magnitude of star or other celestial object. The system of stellar # magnitudes, developed in ancient Greece, assigned magnitudes from 1 # (brightest) to 6 (faintest visible to the naked eye). In 1856, British # astronomer Norman Pogson made the system precise, with a magnitude 1 object # 100 times as bright as a magnitude 6 object, and each magnitude differing # from the next by a constant ratio; the ratio, sometimes known as Pogson's # ratio, is thus 100^0.2, or approximately 2.5119. The logarithm of 100^0.2 is # 0.4, hence the common use of powers of 10 and base-10 logarithms. # # Reference: # Allen, C.W. 1976. Astrophysical Quantities, 3rd ed. 1973, reprinted # with corrections, 1976. London: Athlone. # # The function argument is the (dimensionless) visual magnitude; reference # illuminance of 2.54e-6 lx is from Allen (2000, 21), and is for outside # Earth's atmosphere. Illuminance values can be adjusted to terrestrial values # by multiplying by one of the atm_transmission functions above. # Illuminance from apparent visual magnitude vmag(mag) units=[1;lx] domain=[,] range=(0,] \ 2.54e-6 lx 10^(-0.4 mag); -2.5 log(vmag / (2.54e-6 lx)) # Surface brightness of a celestial object of a given visual magnitude # is a logarithmic measure of the luminance the object would have if its # light were emitted by an object of specified solid angle; it is # expressed in magnitudes per solid angle. Surface brightness can be # obtained from the visual magnitude by # S = m + 2.5 log(pi pi k a b), # where k is the phase (fraction illuminated), a is the equatorial # radius, and b is the polar radius. For 100% illumination (e.g., full # moon), this is often simplified to # S = m + 2.5 log(pi k s^2), # where s is the object's angular semidiameter; the units of s determine # the units of solid angle. The visual magnitude and semidiameter must # be appropriate for the object's distance; for other than 100% # illumination, the visual magnitude must be appropriate for the phase. # Luminance values are for outside Earth's atmosphere; they can be # adjusted to terrestrial values by multiplying by one of the atm_transmission # functions above. # luminance from surface brightness in magnitudes per square degree SB_degree(sb) units=[1;cd/m^2] domain=[,] range=(0,] \ vmag(sb) / squaredegree ; \ ~vmag(SB_degree squaredegree) # luminance from surface brightness in magnitudes per square minute SB_minute(sb) units=[1;cd/m^2] domain=[,] range=(0,] \ vmag(sb) / squareminute ; \ ~vmag(SB_minute squareminute) # luminance from surface brightness in magnitudes per square second SB_second(sb) units=[1;cd/m^2] domain=[,] range=(0,] \ vmag(sb) / squaresecond ; \ ~vmag(SB_second squaresecond) # luminance from surface brightness in magnitudes per steradian SB_sr(sb) units=[1;cd/m^2] domain=[,] range=(0,] \ vmag(sb) / sr ; \ ~vmag(SB_sr sr) SB() SB_second SB_sec() SB_second SB_min() SB_minute SB_deg() SB_degree # The brightness of one tenth-magnitude star per square degree outside # Earth's atmosphere; often used for night sky brightness. S10 SB_degree(10) # Examples for magnitude and surface brightness functions # Sun illuminance from visual magnitude # You have: sunvmag # You want: # Definition: -26.74 = -26.74 # You have: vmag(sunvmag) # You want: lx # * 126134.45 # / 7.9280482e-06 # # Moon surface brightness from visual magnitude and semidiameter at 100% # illumination (full moon): # You have: moonvmag # You want: # Definition: -12.74 = -12.74 # You have: moonsd # You want: arcsec # * 932.59484 # / 0.001072277 # You have: moonvmag + 2.5 log(pi 932.59484^2) # You want: # Definition: 3.3513397 # # Similar example with specific data obtained from another source (JPL # Horizons, https://ssd.jpl.nasa.gov/horizons.cgi); semidiameter is in # arcseconds # # You have: -12.9 + 2.5 log(pi 2023.201|2^2) # You want: # Definition: 3.3679199 # You have: SB_second(-12.9 + 2.5 log(pi 2023.201|2^2)) # You want: # Definition: 4858.6547 cd / m^2 # # If surface brightness is provided by another source (e.g., Horizons), # it can simply be used directly: # You have: SB_second(3.3679199) # You want: cd/m^2 # * 4858.6546 # / 0.0002058183 # The illuminance and luminance values are extraterrestrial (outside # Earth's atmosphere). The values at Earth's surface are less than these # because of atmospheric extinction. For example, in the last example # above, if the Moon were at an altitude of 55 degrees, the terrestrial # luminance could be calculated with # You have: SB_second(3.3679199) # You want: cd/m^2 # * 4858.6546 # / 0.0002058183 # You have: _ atm_transmission(55 deg) # You want: cd/m^2 # * 3760.6356 # / 0.0002659125 # If desired, photographic exposure can be determined with EV100(), # leading to acceptable combinations of aperture and exposure time. # For the example above, but with the Moon at 10 degrees, # You have: SB_second(3.3679199) atm_transmission(10 deg) # You want: EV100 # 13.553962 # # The Hartree system of atomic units, derived from fundamental units # of mass (of the electron), action (Planck's constant), charge, and # the Coulomb constant. This system is used in the fields of physical # chemistry and condensed matter physics. # # Fundamental units atomicmass electronmass atomiccharge e atomicaction hbar atomicenergy hartree # Derived units atomicvelocity sqrt(atomicenergy / atomicmass) atomictime atomicaction / atomicenergy atomiclength atomicvelocity atomictime atomicforce atomicenergy / atomiclength atomicmomentum atomicenergy / atomicvelocity atomiccurrent atomiccharge / atomictime atomicpotential atomicenergy / atomiccharge # electrical potential atomicvolt atomicpotential atomicEfield atomicpotential / atomiclength atomicBfield atomicEfield / atomicvelocity atomictemperature atomicenergy / boltzmann # # In Hartree units, m_e = hbar = e = coulombconst = bohrradius = alpha*c = 1 # !var UNITS_SYSTEM hartree !message Hartree units selected !prompt (hartree) +hartree 1 +kg 1/electronmass_SI +K k_SI / hbar_SI s +m alpha c_SI electronmass_SI / hbar_SI +s alpha c_SI m +A 1 / s e_SI !endvar # # These thermal units treat entropy as charge, from [5] # thermalcoulomb J/K # entropy thermalampere W/K # entropy flow thermalfarad J/K^2 thermalohm K^2/W # thermal resistance fourier thermalohm thermalhenry J K^2/W^2 # thermal inductance thermalvolt K # thermal potential difference # # United States units # # linear measure # The US Metric Law of 1866 legalized the metric system in the USA and # defined the meter in terms of the British system with the exact # 1 meter = 39.37 inches. On April 5, 1893 Thomas Corwin Mendenhall, # Superintendent of Weights and Measures, decided, in what has become # known as the "Mendenhall Order" that the meter and kilogram would be the # fundamental standards in the USA. The definition from 1866 was turned # around to give an exact definition of the yard as 3600|3937 meters This # definition was used until July of 1959 when the definition was changed # to bring the US and other English-speaking countries into agreement; the # Canadian value of 1 yard = 0.9144 meter (exactly) was chosen because it # was approximately halfway between the British and US values; it had the # added advantage of making 1 inch = 25.4 mm (exactly). Since 1959, the # "international" foot has been exactly 0.3048 meters. At the same time, # it was decided that any data expressed in feet derived from geodetic # surveys within the US would continue to use the old definition and call # the old unit the "survey foot." The US continues to define the statute # mile, furlong, chain, rod, link, and fathom in terms of the US survey # foot. # Sources: # NIST Special Publication 447, Sects. 5, 7, and 8. # NIST Handbook 44, 2011 ed., Appendix C. # Canadian Journal of Physics, 1959, 37:(1) 84, 10.1139/p59-014. US 1200|3937 m/ft # These four values will convert US- US # international measures to survey- US # US Survey measures geodetic- US int 3937|1200 ft/m # Convert US Survey measures to int- int # international measures inch 2.54 cm in inch foot 12 inch feet foot ft foot yard 3 ft yd yard mile 5280 ft # The mile was enlarged from 5000 ft # to this number in order to make # it an even number of furlongs. # (The Roman mile is 5000 romanfeet.) line 1|12 inch # Also defined as '.1 in' or as '1e-8 Wb' rod 5.5 yard perch rod furlong 40 rod # From "furrow long" statutemile mile league 3 mile # Intended to be an an hour's walk # surveyor's measure surveyorschain 66 surveyft surveychain surveyorschain surveyorspole 1|4 surveyorschain surveyorslink 1|100 surveyorschain chain 66 ft link 1|100 chain ch chain USacre 10 surveychain^2 intacre 10 chain^2 # Acre based on international ft intacrefoot acre foot USacrefoot USacre surveyfoot acrefoot intacrefoot acre intacre section mile^2 township 36 section homestead 160 acre # Area of land granted by the 1862 Homestead # Act of the United States Congress gunterschain surveyorschain engineerschain 100 ft engineerslink 1|100 engineerschain ramsdenschain engineerschain ramsdenslink engineerslink gurleychain 33 feet # Andrew Ellicott chain is the gurleylink 1|50 gurleychain # same length wingchain 66 feet # Chain from 1664, introduced by winglink 1|80 wingchain # Vincent Wing, also found in a # 33 foot length with 40 links. # early US length standards # The US has had four standards for the yard: one by Troughton of London # (1815); bronze yard #11 (1856); the Mendhall yard (1893), consistent # with the definition of the meter in the metric joint resolution of # Congress in 1866, but defining the yard in terms of the meter; and the # international yard (1959), which standardized definitions for Australia, # Canada, New Zealand, South Africa, the UK, and the US. # Sources: Pat Naughtin (2009), Which Inch?, www.metricationmatters.com; # Lewis E. Barbrow and Lewis V. Judson (1976). NBS Special Publication # 447, Weights and Measures Standards of the United States: A Brief # History. troughtonyard 914.42190 mm bronzeyard11 914.39980 mm mendenhallyard surveyyard internationalyard yard # nautical measure fathom 6 ft # Originally defined as the distance from # fingertip to fingertip with arms fully # extended. nauticalmile 1852 m # Supposed to be one minute of latitude at # the equator. That value is about 1855 m. # Early estimates of Earth's circumference # were a bit off. The value of 1852 m was # made the international standard in 1929. # The US did not accept this value until # 1954. The UK switched in 1970. cable 1|10 nauticalmile intcable cable # international cable cablelength cable UScable 100 USfathom navycablelength 720 USft # used for depth in water marineleague 3 nauticalmile geographicalmile brnauticalmile knot nauticalmile / hr click km # US military slang klick click # Avoirdupois weight pound 0.45359237 kg # The one normally used lb pound # From the latin libra grain 1|7000 pound # The grain is the same in all three # weight systems. It was originally # defined as the weight of a barley # corn taken from the middle of the # ear. ounce 1|16 pound oz ounce dram 1|16 ounce dr dram ushundredweight 100 pounds cwt hundredweight shorthundredweight ushundredweight uston shortton shortton 2000 lb quarterweight 1|4 uston shortquarterweight 1|4 shortton shortquarter shortquarterweight # Troy Weight. In 1828 the troy pound was made the first United States # standard weight. It was to be used to regulate coinage. troypound 5760 grain troyounce 1|12 troypound ozt troyounce pennyweight 1|20 troyounce # Abbreviated "d" in reference to a dwt pennyweight # Frankish coin called the "denier" # minted in the late 700's. There # were 240 deniers to the pound. assayton mg ton / troyounce # mg / assayton = troyounce / ton usassayton mg uston / troyounce brassayton mg brton / troyounce fineounce troyounce # A troy ounce of 99.5% pure gold # Some other jewelers units metriccarat 0.2 gram # Defined in 1907 metricgrain 50 mg carat metriccarat ct carat jewelerspoint 1|100 carat silversmithpoint 1|4000 inch momme 3.75 grams # Traditional Japanese unit based # on the chinese mace. It is used for # pearls in modern times and also for # silk density. The definition here # was adopted in 1891. # Apothecaries' weight appound troypound apounce troyounce apdram 1|8 apounce apscruple 1|3 apdram # Liquid measure usgallon 231 in^3 # US liquid measure is derived from gal gallon # the British wine gallon of 1707. quart 1|4 gallon # See the "winegallon" entry below pint 1|2 quart # more historical information. gill 1|4 pint usquart 1|4 usgallon uspint 1|2 usquart usgill 1|4 uspint usfluidounce 1|16 uspint fluiddram 1|8 usfloz minimvolume 1|60 fluiddram qt quart pt pint floz fluidounce usfloz usfluidounce fldr fluiddram liquidbarrel 31.5 usgallon usbeerbarrel 2 beerkegs beerkeg 15.5 usgallon # Various among brewers ponykeg 1|2 beerkeg winekeg 12 usgallon petroleumbarrel 42 usgallon # Originated in Pennsylvania oil barrel petroleumbarrel # fields, from the winetierce bbl barrel ushogshead 2 liquidbarrel usfirkin 9 usgallon # Dry measures: The Winchester Bushel was defined by William III in 1702 and # legally adopted in the US in 1836. usbushel 2150.42 in^3 # Volume of 8 inch cylinder with 18.5 bu bushel # inch diameter (rounded) peck 1|4 bushel uspeck 1|4 usbushel brpeck 1|4 brbushel pk peck drygallon 1|2 uspeck dryquart 1|4 drygallon drypint 1|2 dryquart drybarrel 7056 in^3 # Used in US for fruits, vegetables, # and other dry commodities except for # cranberries. cranberrybarrel 5826 in^3 # US cranberry barrel heapedbushel 1.278 usbushel# The following explanation for this # value was provided by Wendy Krieger # based on # guesswork. The cylindrical vessel is # 18.5 inches in diameter and 1|2 inch # thick. A heaped bushel includes the # contents of this cylinder plus a heap # on top. The heap is a cone 19.5 # inches in diameter and 6 inches # high. With these values, the volume # of the bushel is 684.5 pi in^3 and # the heap occupies 190.125 pi in^3. # Therefore, the heaped bushel is # 874.625|684.5 bushels. This value is # approximately 1.2777575 and it rounds # to the value listed for the size of # the heaped bushel. Sometimes the # heaped bushel is reported as 1.25 # bushels. This same explanation gives # that value if the heap is taken to # have an 18.5 inch diameter. # Grain measures. The bushel as it is used by farmers in the USA is actually # a measure of mass which varies for different commodities. Canada uses the # same bushel masses for most commodities, but not for oats. wheatbushel 60 lb soybeanbushel 60 lb cornbushel 56 lb ryebushel 56 lb barleybushel 48 lb oatbushel 32 lb ricebushel 45 lb canada_oatbushel 34 lb # Wine and Spirits measure ponyvolume 1 usfloz jigger 1.5 usfloz # Can vary between 1 and 2 usfloz shot jigger # Sometimes 1 usfloz eushot 25 ml # EU standard spirits measure fifth 1|5 usgallon winebottle 750 ml # US industry standard, 1979 winesplit 1|4 winebottle magnum 1.5 liter # Standardized in 1979, but given # as 2 qt in some references metrictenth 375 ml metricfifth 750 ml metricquart 1 liter # Old British bottle size reputedquart 1|6 brgallon reputedpint 1|2 reputedquart brwinebottle reputedquart # Very close to 1|5 winegallon # French champagne bottle sizes split 200 ml jeroboam 2 magnum rehoboam 3 magnum methuselah 4 magnum imperialbottle 4 magnum salmanazar 6 magnum balthazar 8 magnum nebuchadnezzar 10 magnum solomon 12 magnum melchior 12 magnum sovereign 17.5 magnum primat 18 magnum goliath 18 magnum melchizedek 20 magnum midas 20 magnum # The wine glass doesn't seem to have an official standard, but the same value # is suggested by several organization. # https://www.rethinkingdrinking.niaaa.nih.gov/ # http://www.rethinkyourdrinking.ca/what-is-a-standard-drink/ # https://www.drinkaware.co.uk/ # https://www.gov.uk/government/uploads/system/uploads/attachment_data/file/545937/UK_CMOs__report.pdf # http://www.alcohol.gov.au/internet/alcohol/publishing.nsf/content/drinksguide-cnt wineglass 150 mL # the size of a "typical" serving # A unit of alcohol is a specified mass of pure ethyl alcohol. # The term is used officially in the UK, but other countries use the same # concept but with different values. For example, the UK value of 8 g is # nominally the amount of alcohol that a typical adult can metabolize in # one hour. Values for several countries, converted to a volumetric basis: alcoholunitus 14 g / ethanoldensity alcoholunitca 13.6 g / ethanoldensity alcoholunituk 8 g / ethanoldensity alcoholunitau 10 g / ethanoldensity # Example: for 12% ABV (alcohol by volume) # alcoholunitus / 12% = 147.8 mL, close to the “standard” serving of 150 mL. # Coffee # # The recommended ratio of coffee to water. Values vary considerably; # one is from the Specialty Coffee Association of America # http://scaa.org/?page=resources&d=brewing-best-practices coffeeratio 55 g/L # ± 10% # other recommendations are more loose, e.g., # http://www.ncausa.org/About-Coffee/How-to-Brew-Coffee # # Water is "hard" if it contains various minerals, expecially calcium # carbonate. # clarkdegree grains/brgallon # Content by weigh of calcium carbonate gpg grains/usgallon # Divide by water's density to convert to # a dimensionless concentration measure # # Shoe measures # shoeiron 1|48 inch # Used to measure leather in soles shoeounce 1|64 inch # Used to measure non-sole shoe leather # USA shoe sizes. These express the length of the shoe or the length # of the "last", the form that the shoe is made on. But note that # this only captures the length. It appears that widths change 1/4 # inch for each letter within the same size, and if you change the # length by half a size then the width changes between 1/8 inch and # 1/4 inch. But this may not be standard. If you know better, please # contact me. shoesize_delta 1|3 inch # USA shoe sizes differ by this amount shoe_men0 8.25 inch shoe_women0 (7+11|12) inch shoe_boys0 (3+11|12) inch shoe_girls0 (3+7|12) inch shoesize_men(n) units=[1;inch] shoe_men0 + n shoesize_delta ; \ (shoesize_men+(-shoe_men0))/shoesize_delta shoesize_women(n) units=[1;inch] shoe_women0 + n shoesize_delta ; \ (shoesize_women+(-shoe_women0))/shoesize_delta shoesize_boys(n) units=[1;inch] shoe_boys0 + n shoesize_delta ; \ (shoesize_boys+(-shoe_boys0))/shoesize_delta shoesize_girls(n) units=[1;inch] shoe_girls0 + n shoesize_delta ; \ (shoesize_girls+(-shoe_girls0))/shoesize_delta # European shoe size. According to # http://www.shoeline.com/footnotes/shoeterm.shtml # shoe sizes in Europe are measured with Paris points which simply measure # the length of the shoe. europeshoesize 2|3 cm # # USA slang units # buck US$ fin 5 US$ sawbuck 10 US$ usgrand 1000 US$ greenback US$ key kg # usually of marijuana, 60's lid 1 oz # Another 60's weed unit footballfield usfootballfield usfootballfield 100 yards canadafootballfield 110 yards # And 65 yards wide marathon 26 miles + 385 yards # # British # # The length measure in the UK was defined by a bronze bar manufactured in # 1844. Various conversions were sanctioned for convenience at different # times, which makes conversions before 1963 a confusing matter. Apparently # previous conversions were never explicitly revoked. Four different # conversion factors appear below. Multiply them times an imperial length # units as desired. The Weights and Measures Act of 1963 switched the UK away # from their bronze standard and onto a definition of the yard in terms of the # meter. This happened after an international agreement in 1959 to align the # world's measurement systems. UK UKlength_SJJ UK- UK british- UK UKlength_B 0.9143992 meter / yard # Benoit found the yard to be # 0.9143992 m at a weights and # measures conference around # 1896. Legally sanctioned # in 1898. UKlength_SJJ 0.91439841 meter / yard # In 1922, Seers, Jolly and # Johnson found the yard to be # 0.91439841 meters. # Used starting in the 1930's. UKlength_K meter / 39.37079 inch # In 1816 Kater found this ratio # for the meter and inch. This # value was used as the legal # conversion ratio when the # metric system was legalized # for contract in 1864. UKlength_C meter / 1.09362311 yard # In 1866 Clarke found the meter # to be 1.09362311 yards. This # conversion was legalized # around 1878. brnauticalmile 6080 ft # Used until 1970 when the UK brknot brnauticalmile / hr # switched to the international brcable 1|10 brnauticalmile # nautical mile. admiraltymile brnauticalmile admiraltyknot brknot admiraltycable brcable seamile 6000 ft shackle 15 fathoms # Adopted 1949 by British navy # British Imperial weight is mostly the same as US weight. A few extra # units are added here. clove 7 lb stone 14 lb tod 28 lb brquarterweight 1|4 brhundredweight brhundredweight 8 stone longhundredweight brhundredweight longton 20 brhundredweight brton longton # British Imperial volume measures brminim 1|60 brdram brscruple 1|3 brdram fluidscruple brscruple brdram 1|8 brfloz brfluidounce 1|20 brpint brfloz brfluidounce brgill 1|4 brpint brpint 1|2 brquart brquart 1|4 brgallon brgallon 4.54609 l # The British Imperial gallon was # defined in 1824 to be the volume of # water which weighed 10 pounds at 62 # deg F with a pressure of 30 inHg. # It was also defined as 277.274 in^3, # Which is slightly in error. In # 1963 it was defined to be the volume # occupied by 10 pounds of distilled # water of density 0.998859 g/ml weighed # in air of density 0.001217 g/ml # against weights of density 8.136 g/ml. # This gives a value of approximately # 4.5459645 liters, but the old liter # was in force at this time. In 1976 # the definition was changed to exactly # 4.54609 liters using the new # definition of the liter (1 dm^3). brbarrel 36 brgallon # Used for beer brbushel 8 brgallon brheapedbushel 1.278 brbushel brquarter 8 brbushel brchaldron 36 brbushel # Obscure British volume measures. These units are generally traditional # measures whose definitions have fluctuated over the years. Often they # depended on the quantity being measured. They are given here in terms of # British Imperial measures. For example, the puncheon may have historically # been defined relative to the wine gallon or beer gallon or ale gallon # rather than the British Imperial gallon. bag 4 brbushel bucket 4 brgallon kilderkin 2 brfirkin last 40 brbushel noggin brgill pottle 0.5 brgallon pin 4.5 brgallon puncheon 72 brgallon seam 8 brbushel coomb 4 brbushel boll 6 brbushel firlot 1|4 boll brfirkin 9 brgallon # Used for ale and beer cran 37.5 brgallon # measures herring, about 750 fish brwinehogshead 52.5 brgallon # This value is approximately equal brhogshead brwinehogshead # to the old wine hogshead of 63 # wine gallons. This adjustment # is listed in the OED and in # "The Weights and Measures of # England" by R. D. Connor brbeerhogshead 54 brgallon brbeerbutt 2 brbeerhogshead registerton 100 ft^3 # Used for internal capacity of ships shippington 40 ft^3 # Used for ship's cargo freight or timber brshippington 42 ft^3 # freightton shippington # Both register ton and shipping ton derive # from the "tun cask" of wine. displacementton 35 ft^3 # Approximate volume of a longton weight of # sea water. Measures water displaced by # ships. waterton 224 brgallon strike 70.5 l # 16th century unit, sometimes # defined as .5, 2, or 4 bushels # depending on the location. It # probably doesn't make a lot of # sense to define in terms of imperial # bushels. Zupko gives a value of # 2 Winchester grain bushels or about # 70.5 liters. amber 4 brbushel# Used for dry and liquid capacity [18] # British volume measures with "imperial" imperialminim brminim imperialscruple brscruple imperialdram brdram imperialfluidounce brfluidounce imperialfloz brfloz imperialgill brgill imperialpint brpint imperialquart brquart imperialgallon brgallon imperialbarrel brbarrel imperialbushel brbushel imperialheapedbushel brheapedbushel imperialquarter brquarter imperialchaldron brchaldron imperialwinehogshead brwinehogshead imperialhogshead brhogshead imperialbeerhogshead brbeerhogshead imperialbeerbutt brbeerbutt imperialfirkin brfirkin # obscure British lengths barleycorn 1|3 UKinch # Given in Realm of Measure as the # difference between successive shoe sizes nail 1|16 UKyard # Originally the width of the thumbnail, # or 1|16 ft. This took on the general # meaning of 1|16 and settled on the # nail of a yard or 1|16 yards as its # final value. [12] pole 16.5 UKft # This was 15 Saxon feet, the Saxon rope 20 UKft # foot (aka northern foot) being longer englishell 45 UKinch flemishell 27 UKinch ell englishell # supposed to be measure from elbow to # fingertips span 9 UKinch # supposed to be distance from thumb # to pinky with full hand extension goad 4.5 UKft # used for cloth, possibly named after the # stick used for prodding animals. # misc obscure British units hide 120 acre # English unit of land area dating to the 7th # century, originally the amount of land # that a single plowman could cultivate, # which varied from 60-180 acres regionally. # Standardized at Normon conquest. virgate 1|4 hide nook 1|2 virgate rood furlong rod # Area of a strip a rod by a furlong englishcarat troyounce/151.5 # Originally intended to be 4 grain # but this value ended up being # used in the London diamond market mancus 2 oz mast 2.5 lb nailkeg 100 lbs basebox 31360 in^2 # Used in metal plating # alternate spellings gramme gram litre liter dioptre diopter aluminium aluminum sulphur sulfur # # Units derived the human body (may not be very accurate) # geometricpace 5 ft # distance between points where the same # foot hits the ground pace 2.5 ft # distance between points where alternate # feet touch the ground USmilitarypace 30 in # United States official military pace USdoubletimepace 36 in # United States official doubletime pace fingerbreadth 7|8 in # The finger is defined as either the width fingerlength 4.5 in # or length of the finger finger fingerbreadth palmwidth hand # The palm is a unit defined as either the width palmlength 8 in # or the length of the hand hand 4 inch # width of hand shaftment 6 inch # Distance from tip of outstretched thumb to the # opposite side of the palm of the hand. The # ending -ment is from the old English word # for hand. [18] smoot 5 ft + 7 in # Created as part of an MIT fraternity prank. # In 1958 Oliver Smoot was used to measure # the length of the Harvard Bridge, which was # marked off in Smoot lengths. These # markings have been maintained on the bridge # since then and repainted by subsequent # incoming fraternity members. During a # bridge renovation the new sidewalk was # scored every Smoot rather than at the # customary 6 ft spacing. tomcruise 5 ft + 7.75 in # Height of Tom Cruise # # Cooking measures # # Common abbreviations tbl tablespoon tbsp tablespoon tblsp tablespoon Tb tablespoon tsp teaspoon saltspoon 1|4 tsp # US measures uscup 8 usfloz ustablespoon 1|16 uscup usteaspoon 1|3 ustablespoon ustbl ustablespoon ustbsp ustablespoon ustblsp ustablespoon ustsp usteaspoon metriccup 250 ml stickbutter 1|4 lb # Butter in the USA is sold in one # pound packages that contain four # individually wrapped pieces. The # pieces are marked into tablespoons, # making it possible to measure out # butter by volume by slicing the # butter. legalcup 240 ml # The cup used on nutrition labeling legaltablespoon 1|16 legalcup legaltbsp legaltablespoon # Scoop size. Ice cream scoops in the US are marked with numbers # indicating the number of scoops required to fill a US quart. scoop(n) units=[1;cup] domain=[4,100] range=[0.04,1] \ 32 usfloz / n ; 32 usfloz / scoop # US can sizes. number1can 10 usfloz number2can 19 usfloz number2.5can 3.5 uscups number3can 4 uscups number5can 7 uscups number10can 105 usfloz # British measures brcup 1|2 brpint brteacup 1|3 brpint brtablespoon 15 ml # Also 5|8 brfloz, approx 17.7 ml brteaspoon 1|3 brtablespoon # Also 1|4 brtablespoon brdessertspoon 2 brteaspoon dessertspoon brdessertspoon dsp dessertspoon brtsp brteaspoon brtbl brtablespoon brtbsp brtablespoon brtblsp brtablespoon # Australian australiatablespoon 20 ml austbl australiatablespoon austbsp australiatablespoon austblsp australiatablespoon australiateaspoon 1|4 australiatablespoon austsp australiateaspoon # Italian etto 100 g # Used for buying items like meat and etti etto # cheese. # Chinese catty 0.5 kg oldcatty 4|3 lbs # Before metric conversion. tael 1|16 oldcatty # Should the tael be defined both ways? mace 0.1 tael oldpicul 100 oldcatty picul 100 catty # Chinese usage # Indian seer 14400 grain # British Colonial standard ser seer maund 40 seer pakistanseer 1 kg pakistanmaund 40 pakistanseer chittak 1|16 seer tola 1|5 chittak ollock 1|4 liter # Is this right? # Japanese japancup 200 ml # densities of cooking ingredients from The Cake Bible by Rose Levy Beranbaum # so you can convert '2 cups sugar' to grams, for example, or in the other # direction grams could be converted to 'cup flour_scooped'. butter 8 oz/uscup butter_clarified 6.8 oz/uscup cocoa_butter 9 oz/uscup shortening 6.75 oz/uscup # vegetable shortening oil 7.5 oz/uscup cakeflour_sifted 3.5 oz/uscup # The density of flour depends on the cakeflour_spooned 4 oz/uscup # measuring method. "Scooped", or cakeflour_scooped 4.5 oz/uscup # "dip and sweep" refers to dipping a flour_sifted 4 oz/uscup # measure into a bin, and then sweeping flour_spooned 4.25 oz/uscup # the excess off the top. "Spooned" flour_scooped 5 oz/uscup # means to lightly spoon into a measure breadflour_sifted 4.25 oz/uscup # and then sweep the top. Sifted means breadflour_spooned 4.5 oz/uscup # sifting the flour directly into a breadflour_scooped 5.5 oz/uscup # measure and then sweeping the top. cornstarch 120 grams/uscup dutchcocoa_sifted 75 g/uscup # These are for Dutch processed cocoa dutchcocoa_spooned 92 g/uscup dutchcocoa_scooped 95 g/uscup cocoa_sifted 75 g/uscup # These are for nonalkalized cocoa cocoa_spooned 82 g/uscup cocoa_scooped 95 g/uscup heavycream 232 g/uscup milk 242 g/uscup sourcream 242 g/uscup molasses 11.25 oz/uscup cornsyrup 11.5 oz/uscup honey 11.75 oz/uscup sugar 200 g/uscup powdered_sugar 4 oz/uscup brownsugar_light 217 g/uscup # packed brownsugar_dark 239 g/uscup baking_powder 4.6 grams / ustsp salt 6 g / ustsp koshersalt 2.8 g / ustsp # Diamond Crystal kosher salt koshersalt_morton 4.8 g / ustsp # Morton kosher salt # Values are from the nutrition info # on the packages # Egg weights and volumes for a USA large egg egg 50 grams # without shell eggwhite 30 grams eggyolk 18.6 grams eggvolume 3 ustablespoons + 1|2 ustsp eggwhitevolume 2 ustablespoons eggyolkvolume 3.5 ustsp # Alcohol density ethanoldensity 0.7893 g/cm^3 # From CRC Handbook, 91st Edition alcoholdensity ethanoldensity # # Density measures. Density has traditionally been measured on a variety of # bizarre nonlinear scales. # # Density of a sugar syrup is frequently measured in candy making procedures. # In the USA the boiling point of the syrup is measured. Some recipes instead # specify the density using degrees Baume. Conversion between degrees Baume # and the boiling point measure has proved elusive. This table appeared in one # text, and provides a fragmentary relationship to the concentration. # # temp(C) conc (%) # 100 30 # 101 40 # 102 50 # 103 60 # 106 70 # 112 80 # 123 90 # 140 95 # 151 97 # 160 98.2 # 166 99.5 # 171 99.6 # # The best source identified to date came from "Boiling point elevation of # technical sugarcane solutions and its use in automatic pan boiling" by # Michael Saska. International Sugar Journal, 2002, 104, 1247, pp 500-507. # # But I'm using equation (3) which is credited to Starzak and Peacock, # "Water activity coefficient in aqueous solutions of sucrose--A comprehensive # data analysis. Zuckerindustrie, 122, 380-387. (I couldn't find this # document.) # # Note that the range of validity is uncertain, but answers are in agreement # with the above table all the way to 99.6. # # The original equation has a parameter for the boiling point of water, which # of course varies with altitude. It also includes various other model # parameters. The input is the molar concentration of sucrose in the solution, # (moles sucrose) / (total moles). # # Bsp 3797.06 degC # Csp 226.28 degC # QQ -17638 J/mol # asp -1.0038 # bsp -0.24653 # tbw 100 degC # boiling point of water # sugar_bpe_orig(x) ((1-QQ/R Bsp * x^2 (1+asp x + bsp x^2) (tbw + Csp) \ # /(tbw+stdtemp)) / (1+(tbw + Csp)/Bsp *ln(1-x))-1) * (tbw + Csp) # # To convert mass concentration (brix) to molar concentration # # sc(x) (x / 342.3) / (( x/342.3) + (100-x)/18.02); \ # 100 sc 342.3|18.02 / (sc (342.3|18.02-1)+1) # # Here is a simplified version of this equation where the temperature of boiling # water has been fixed at 100 degrees Celsius and the argument is now the # concentration (brix). # # sugar_bpe(x) ((1+ 0.48851085 * sc(x)^2 (1+ -1.0038 sc(x) + -0.24653 sc(x)^2)) \ # / (1+0.08592964 ln(1-sc(x)))-1) 326.28 K # # # The formula is not invertible, so to implement it in units we unfortunately # must turn it into a table. # This table gives the boiling point elevation as a function of the sugar syrup # concentration expressed as a percentage. sugar_conc_bpe[K] \ 0 0.0000 5 0.0788 10 0.1690 15 0.2729 20 0.3936 25 0.5351 \ 30 0.7027 35 0.9036 40 1.1475 42 1.2599 44 1.3825 46 1.5165 \ 48 1.6634 50 1.8249 52 2.0031 54 2.2005 56 2.4200 58 2.6651 \ 60 2.9400 61 3.0902 62 3.2499 63 3.4198 64 3.6010 65 3.7944 \ 66 4.0012 67 4.2227 68 4.4603 69 4.7156 70 4.9905 71 5.2870 \ 72 5.6075 73 5.9546 74 6.3316 75 6.7417 76 7.1892 77 7.6786 \ 78.0 8.2155 79.0 8.8061 80.0 9.4578 80.5 9.8092 81.0 10.1793 \ 81.5 10.5693 82.0 10.9807 82.5 11.4152 83.0 11.8743 83.5 12.3601 \ 84.0 12.8744 84.5 13.4197 85.0 13.9982 85.5 14.6128 86.0 15.2663 \ 86.5 15.9620 87.0 16.7033 87.5 17.4943 88.0 18.3391 88.5 19.2424 \ 89.0 20.2092 89.5 21.2452 90.0 22.3564 90.5 23.5493 91.0 24.8309 \ 91.5 26.2086 92.0 27.6903 92.5 29.2839 93.0 30.9972 93.5 32.8374 \ 94.0 34.8104 94.5 36.9195 95.0 39.1636 95.5 41.5348 96.0 44.0142 \ 96.5 46.5668 97.0 49.1350 97.5 51.6347 98.0 53.9681 98.1 54.4091 \ 98.2 54.8423 98.3 55.2692 98.4 55.6928 98.5 56.1174 98.6 56.5497 \ 98.7 56.9999 98.8 57.4828 98.9 58.0206 99.0 58.6455 99.1 59.4062 \ 99.2 60.3763 99.3 61.6706 99.4 63.4751 99.5 66.1062 99.6 70.1448 \ 99.7 76.7867 # Using the brix table we can use this to produce a mapping from boiling point # to density which makes all of the units interconvertible. Because the brix # table stops at 95 this approach works up to a boiling point elevation of 39 K # or a boiling point of 139 C / 282 F, which is the "soft crack" stage in candy # making. The "hard crack" stage continues up to 310 F. # Boiling point elevation sugar_bpe(T) units=[K;g/cm^3] domain=[0,39.1636] range=[0.99717,1.5144619] \ brix(~sugar_conc_bpe(T)); sugar_conc_bpe(~brix(sugar_bpe)) # Absolute boiling point (produces an absolute temperature) sugar_bp(T) units=[K;g/cm^3] domain=[373.15,412.3136] \ range=[0.99717,1.5144619] \ brix(~sugar_conc_bpe(T-tempC(100))) ;\ sugar_conc_bpe(~brix(sugar_bp))+tempC(100) # In practice dealing with the absolute temperature is annoying because it is # not possible to convert to a nested function, so you're stuck retyping the # absolute temperature in Kelvins to convert to celsius or Fahrenheit. To # prevent this we supply definitions that build in the temperature conversion # and produce results in the Fahrenheit and Celsius scales. So using these # measures, to convert 46 degrees Baume to a Fahrenheit boiling point: # # You have: baume(45) # You want: sugar_bpF # 239.05647 # sugar_bpF(T) units=[1;g/cm^3] domain=[212,282.49448] range=[0.99717,1.5144619]\ brix(~sugar_conc_bpe(tempF(T)+-tempC(100))) ;\ ~tempF(sugar_conc_bpe(~brix(sugar_bpF))+tempC(100)) sugar_bpC(T) units=[1;g/cm^3] domain=[100,139.1636] range=[0.99717,1.5144619]\ brix(~sugar_conc_bpe(tempC(T)+-tempC(100))) ;\ ~tempC(sugar_conc_bpe(~brix(sugar_bpC))+tempC(100)) # Degrees Baume is used in European recipes to specify the density of a sugar # syrup. An entirely different definition is used for densities below # 1 g/cm^3. An arbitrary constant appears in the definition. This value is # equal to 145 in the US, but was according to [], the old scale used in # Holland had a value of 144, and the new scale or Gerlach scale used 146.78. baumeconst 145 # US value baume(d) units=[1;g/cm^3] domain=[0,145) range=[1,) \ (baumeconst/(baumeconst+-d)) g/cm^3 ; \ (baume+((-g)/cm^3)) baumeconst / baume # It's not clear if this value was ever used with negative degrees. twaddell(x) units=[1;g/cm^3] domain=[-200,) range=[0,) \ (1 + 0.005 x) g / cm^3 ; \ 200 (twaddell / (g/cm^3) +- 1) # The degree quevenne is a unit for measuring the density of milk. # Similarly it's unclear if negative values were allowed here. quevenne(x) units=[1;g/cm^3] domain=[-1000,) range=[0,) \ (1 + 0.001 x) g / cm^3 ; \ 1000 (quevenne / (g/cm^3) +- 1) # Degrees brix measures sugar concentration by weigh as a percentage, so a # solution that is 3 degrees brix is 3% sugar by weight. This unit was named # after Adolf Brix who invented a hydrometer that read this percentage # directly. This data is from Table 114 of NIST Circular 440, "Polarimetry, # Saccharimetry and the Sugars". It gives apparent specific gravity at 20 # degrees Celsius of various sugar concentrations. As rendered below this # data is converted to apparent density at 20 degrees Celsius using the # density figure for water given in the same NIST reference. They use the # word "apparent" to refer to measurements being made in air with brass # weights rather than vacuum. brix[0.99717g/cm^3]\ 0 1.00000 1 1.00390 2 1.00780 3 1.01173 4 1.01569 5 1.01968 \ 6 1.02369 7 1.02773 8 1.03180 9 1.03590 10 1.04003 11 1.04418 \ 12 1.04837 13 1.05259 14 1.05683 15 1.06111 16 1.06542 17 1.06976 \ 18 1.07413 19 1.07853 20 1.08297 21 1.08744 22 1.09194 23 1.09647 \ 24 1.10104 25 1.10564 26 1.11027 27 1.11493 28 1.11963 29 1.12436 \ 30 1.12913 31 1.13394 32 1.13877 33 1.14364 34 1.14855 35 1.15350 \ 36 1.15847 37 1.16349 38 1.16853 39 1.17362 40 1.17874 41 1.18390 \ 42 1.18910 43 1.19434 44 1.19961 45 1.20491 46 1.21026 47 1.21564 \ 48 1.22106 49 1.22652 50 1.23202 51 1.23756 52 1.24313 53 1.24874 \ 54 1.25439 55 1.26007 56 1.26580 57 1.27156 58 1.27736 59 1.28320 \ 60 1.28909 61 1.29498 62 1.30093 63 1.30694 64 1.31297 65 1.31905 \ 66 1.32516 67 1.33129 68 1.33748 69 1.34371 70 1.34997 71 1.35627 \ 72 1.36261 73 1.36900 74 1.37541 75 1.38187 76 1.38835 77 1.39489 \ 78 1.40146 79 1.40806 80 1.41471 81 1.42138 82 1.42810 83 1.43486 \ 84 1.44165 85 1.44848 86 1.45535 87 1.46225 88 1.46919 89 1.47616 \ 90 1.48317 91 1.49022 92 1.49730 93 1.50442 94 1.51157 95 1.51876 # Density measure invented by the American Petroleum Institute. Lighter # petroleum products are more valuable, and they get a higher API degree. # # The intervals of range and domain should be open rather than closed. # apidegree(x) units=[1;g/cm^3] domain=[-131.5,) range=[0,) \ 141.5 g/cm^3 / (x+131.5) ; \ 141.5 (g/cm^3) / apidegree + (-131.5) # # Average densities of various woods (dried) # Data from The Wood Database https://www.wood-database.com # # North American Hardwoods wood_cherry 35 lb/ft^3 wood_redoak 44 lb/ft^3 wood_whiteoak 47 lb/ft^3 wood_blackwalnut 38 lb/ft^3 wood_walnut wood_blackwalnut wood_birch 43 lb/ft^3 wood_hardmaple 44 lb/ft^3 wood_bigleafmaple 34 lb/ft^3 wood_boxeldermaple 30 lb/ft^3 wood_redmaple 38 lb/ft^3 wood_silvermaple 33 lb/ft^3 wood_stripedmaple 32 lb/ft^3 wood_softmaple (wood_bigleafmaple \ + wood_boxeldermaple \ + wood_redmaple \ + wood_silvermaple \ + wood_stripedmaple) / 5 wood_poplar 29 lb/ft^3 wood_beech 45 lb/ft^3 # North American Softwoods wood_jeffreypine 28 lb/ft^3 wood_ocotepine 44 lb/ft^3 wood_ponderosapine 28 lb/ft^3 wood_loblollypine 35 lb/ft^3 wood_longleafpine 41 lb/ft^3 wood_shortleafpine 35 lb/ft^3 wood_slashpine 41 lb/ft^3 wood_yellowpine (wood_loblollypine \ + wood_longleafpine \ + wood_shortleafpine \ + wood_slashpine) / 4 wood_redpine 34 lb/ft^3 wood_easternwhitepine 25 lb/ft^3 wood_westernwhitepine 27 lb/ft^3 wood_whitepine (wood_easternwhitepine + wood_westernwhitepine) / 2 wood_douglasfir 32 lb/ft^3 wood_blackspruce 28 lb/ft^3 wood_engelmannspruce 24 lb/ft^3 wood_redspruce 27 lb/ft^3 wood_sitkaspruce 27 lb/ft^3 wood_whitespruce 27 lb/ft^3 wood_spruce (wood_blackspruce \ + wood_engelmannspruce \ + wood_redspruce \ + wood_sitkaspruce \ + wood_whitespruce) / 5 # Other woods wood_basswood 26 lb/ft^3 wood_balsa 9 lb/ft^3 wood_ebony_gaboon 60 lb/ft^3 wood_ebony_macassar 70 lb/ft^3 wood_mahogany 37 lb/ft^3 # True (Honduran) mahogany, # Swietenia macrophylla wood_teak 41 lb/ft^3 wood_rosewood_brazilian 52 lb/ft^3 wood_rosewood_honduran 64 lb/ft^3 wood_rosewood_indian 52 lb/ft^3 wood_cocobolo 69 lb/ft^3 wood_bubinga 56 lb/ft^3 wood_zebrawood 50 lb/ft^3 wood_koa 38 lb/ft^3 wood_snakewood 75.7 lb/ft^3 wood_lignumvitae 78.5 lb/ft^3 wood_blackwood 79.3 lb/ft^3 wood_blackironwood 84.5 lb/ft^3 # Krugiodendron ferreum, listed # in database as the heaviest wood # # Modulus of elasticity of selected woods. # Data from The Wood Database https://www.wood-database.com # # North American Hardwoods wood_mod_beech 1.720e6 lbf/in^2 wood_mod_birchyellow 2.010e6 lbf/in^2 wood_mod_birch wood_mod_birchyellow wood_mod_cherry 1.490e6 lbf/in^2 wood_mod_hardmaple 1.830e6 lbf/in^2 wood_mod_bigleafmaple 1.450e6 lbf/in^2 wood_mod_boxeldermaple 1.050e6 lbf/in^2 wood_mod_redmaple 1.640e6 lbf/in^2 wood_mod_silvermaple 1.140e6 lbf/in^2 wood_mod_softmaple (wood_mod_bigleafmaple \ + wood_mod_boxeldermaple \ + wood_mod_redmaple \ + wood_mod_silvermaple) / 4 wood_mod_redoak 1.761e6 lbf/in^2 wood_mod_whiteoak 1.762e6 lbf/in^2 wood_mod_poplar 1.580e6 lbf/in^2 wood_mod_blackwalnut 1.680e6 lbf/in^2 wood_mod_walnut wood_mod_blackwalnut # North American Softwoods wood_mod_jeffreypine 1.240e6 lbf/in^2 wood_mod_ocotepine 2.209e6 lbf/in^2 wood_mod_ponderosapine 1.290e6 lbf/in^2 wood_mod_loblollypine 1.790e6 lbf/in^2 wood_mod_longleafpine 1.980e6 lbf/in^2 wood_mod_shortleafpine 1.750e6 lbf/in^2 wood_mod_slashpine 1.980e6 lbf/in^2 wood_mod_yellowpine (wood_mod_loblollypine \ + wood_mod_longleafpine \ + wood_mod_shortleafpine \ + wood_mod_slashpine) / 4 wood_mod_redpine 1.630e6 lbf/in^2 wood_mod_easternwhitepine 1.240e6 lbf/in^2 wood_mod_westernwhitepine 1.460e6 lbf/in^2 wood_mod_whitepine (wood_mod_easternwhitepine + \ wood_mod_westernwhitepine) / 2 wood_mod_douglasfir 1.765e6 lbf/in^2 wood_mod_blackspruce 1.523e6 lbf/in^2 wood_mod_englemannspruce 1.369e6 lbf/in^2 wood_mod_redspruce 1.560e6 lbf/in^2 wood_mod_sitkaspruce 1.600e6 lbf/in^2 wood_mod_whitespruce 1.315e6 lbf/in^2 wood_mod_spruce (wood_mod_blackspruce \ + wood_mod_englemannspruce \ + wood_mod_redspruce + wood_mod_sitkaspruce \ + wood_mod_whitespruce) / 5 # Other woods wood_mod_balsa 0.538e6 lbf/in^2 wood_mod_basswood 1.460e6 lbf/in^2 wood_mod_blackwood 2.603e6 lbf/in^2 # African, Dalbergia melanoxylon wood_mod_bubinga 2.670e6 lbf/in^2 wood_mod_cocobolo 2.712e6 lbf/in^2 wood_mod_ebony_gaboon 2.449e6 lbf/in^2 wood_mod_ebony_macassar 2.515e6 lbf/in^2 wood_mod_blackironwood 2.966e6 lbf/in^2 # Krugiodendron ferreum wood_mod_koa 1.503e6 lbf/in^2 wood_mod_lignumvitae 2.043e6 lbf/in^2 wood_mod_mahogany 1.458e6 lbf/in^2 # True (Honduran) mahogany, # Swietenia macrophylla wood_mod_rosewood_brazilian 2.020e6 lbf/in^2 wood_mod_rosewood_honduran 3.190e6 lbf/in^2 wood_mod_rosewood_indian 1.668e6 lbf/in^2 wood_mod_snakewood 3.364e6 lbf/in^2 wood_mod_teak 1.781e6 lbf/in^2 wood_mod_zebrawood 2.374e6 lbf/in^2 # # Area of countries and other regions. This is the "total area" which # includes land and water areas within international boundaries and # coastlines. Data from January, 2019. # # except as noted, sources are # https://en.wikipedia.org/wiki/List_of_countries_and_dependencies_by_area # https://www.cia.gov/library/publications/the-world-factbook) area_russia 17098246 km^2 area_antarctica 14000000 km^2 # area_canada is covered below as sum of province and territory areas area_china 9596961 km^2 # area_unitedstates is covered below as sum of state areas # includes only the 50 states and District of Columbia area_us area_unitedstates area_brazil 8515767 km^2 area_australia 7692024 km^2 # area_europeanunion is covered below as sum of member areas area_india 3287263 km^2 area_argentina 2780400 km^2 area_kazakhstan 2724900 km^2 area_algeria 2381741 km^2 area_drcongo 2344858 km^2 area_greenland 2166086 km^2 area_saudiarabia 2149690 km^2 area_mexico 1964375 km^2 area_indonesia 1910931 km^2 area_sudan 1861484 km^2 area_libya 1759540 km^2 area_iran 1648195 km^2 area_mongolia 1564110 km^2 area_peru 1285216 km^2 area_chad 1284000 km^2 area_niger 1267000 km^2 area_angola 1246700 km^2 area_mali 1240192 km^2 area_southafrica 1221037 km^2 area_colombia 1141748 km^2 area_ethiopia 1104300 km^2 area_bolivia 1098581 km^2 area_mauritania 1030700 km^2 area_egypt 1002450 km^2 area_tanzania 945087 km^2 area_nigeria 923768 km^2 area_venezuela 916445 km^2 area_pakistan 881912 km^2 area_namibia 825615 km^2 area_mozambique 801590 km^2 area_turkey 783562 km^2 area_chile 756102 km^2 area_zambia 752612 km^2 area_myanmar 676578 km^2 area_burma area_myanmar area_afghanistan 652230 km^2 area_southsudan 644329 km^2 area_france 640679 km^2 area_somalia 637657 km^2 area_centralafrica 622984 km^2 area_ukraine 603500 km^2 area_crimea 27000 km^2 # occupied by Russia; included in # (Encyclopedia Britannica) area_madagascar 587041 km^2 area_botswana 581730 km^2 area_kenya 580367 km^2 area_yemen 527968 km^2 area_thailand 513120 km^2 area_spain 505992 km^2 area_turkmenistan 488100 km^2 area_cameroon 475422 km^2 area_papuanewguinea 462840 km^2 area_sweden 450295 km^2 area_uzbekistan 447400 km^2 area_morocco 446550 km^2 area_iraq 438317 km^2 area_paraguay 406752 km^2 area_zimbabwe 390757 km^2 area_japan 377973 km^2 area_germany 357114 km^2 area_congorepublic 342000 km^2 area_finland 338424 km^2 area_vietnam 331212 km^2 area_malaysia 330803 km^2 area_norway 323802 km^2 area_ivorycoast 322463 km^2 area_poland 312696 km^2 area_oman 309500 km^2 area_italy 301339 km^2 area_philippines 300000 km^2 area_ecuador 276841 km^2 area_burkinafaso 274222 km^2 area_newzealand 270467 km^2 area_gabon 267668 km^2 area_westernsahara 266000 km^2 area_guinea 245857 km^2 # area_unitedkingdom is covered below area_uganda 241550 km^2 area_ghana 238533 km^2 area_romania 238397 km^2 area_laos 236800 km^2 area_guyana 214969 km^2 area_belarus 207600 km^2 area_kyrgyzstan 199951 km^2 area_senegal 196722 km^2 area_syria 185180 km^2 area_golanheights 1150 km^2 # occupied by Israel; included in # Syria (Encyclopedia Britannica) area_cambodia 181035 km^2 area_uruguay 176215 km^2 area_somaliland 176120 km^2 area_suriname 163820 km^2 area_tunisia 163610 km^2 area_bangladesh 147570 km^2 area_nepal 147181 km^2 area_tajikistan 143100 km^2 area_greece 131990 km^2 area_nicaragua 130373 km^2 area_northkorea 120540 km^2 area_malawi 118484 km^2 area_eritrea 117600 km^2 area_benin 114763 km^2 area_honduras 112492 km^2 area_liberia 111369 km^2 area_bulgaria 110879 km^2 area_cuba 109884 km^2 area_guatemala 108889 km^2 area_iceland 103000 km^2 area_southkorea 100210 km^2 area_hungary 93028 km^2 area_portugal 92090 km^2 area_jordan 89342 km^2 area_serbia 88361 km^2 area_azerbaijan 86600 km^2 area_austria 83871 km^2 area_uae 83600 km^2 area_czechia 78865 km^2 area_czechrepublic area_czechia area_panama 75417 km^2 area_sierraleone 71740 km^2 area_ireland 70273 km^2 area_georgia 69700 km^2 area_srilanka 65610 km^2 area_lithuania 65300 km^2 area_latvia 64559 km^2 area_togo 56785 km^2 area_croatia 56594 km^2 area_bosnia 51209 km^2 area_costarica 51100 km^2 area_slovakia 49037 km^2 area_dominicanrepublic 48671 km^2 area_estonia 45227 km^2 area_denmark 43094 km^2 area_netherlands 41850 km^2 area_switzerland 41284 km^2 area_bhutan 38394 km^2 area_taiwan 36193 km^2 area_guineabissau 36125 km^2 area_moldova 33846 km^2 area_belgium 30528 km^2 area_lesotho 30355 km^2 area_armenia 29743 km^2 area_solomonislands 28896 km^2 area_albania 28748 km^2 area_equitorialguinea 28051 km^2 area_burundi 27834 km^2 area_haiti 27750 km^2 area_rwanda 26338 km^2 area_northmacedonia 25713 km^2 area_djibouti 23200 km^2 area_belize 22966 km^2 area_elsalvador 21041 km^2 area_israel 20770 km^2 area_slovenia 20273 km^2 area_fiji 18272 km^2 area_kuwait 17818 km^2 area_eswatini 17364 km^2 area_easttimor 14919 km^2 area_bahamas 13943 km^2 area_montenegro 13812 km^2 area_vanatu 12189 km^2 area_qatar 11586 km^2 area_gambia 11295 km^2 area_jamaica 10991 km^2 area_kosovo 10887 km^2 area_lebanon 10452 km^2 area_cyprus 9251 km^2 area_puertorico 9104 km^2 # United States territory; not included # in United States area area_westbank 5860 km^2 # (CIA World Factbook) area_hongkong 2755 km^2 area_luxembourg 2586 km^2 area_singapore 716 km^2 area_gazastrip 360 km^2 # (CIA World Factbook) area_malta 316 km^2 # smallest EU country area_liechtenstein 160 km^2 area_monaco 2.02 km^2 area_vaticancity 0.44 km^2 # Members as of 1 Feb 2020 area_europeanunion area_austria + area_belgium + area_bulgaria \ + area_croatia + area_cyprus + area_czechia + area_denmark \ + area_estonia + area_finland + area_france + area_germany \ + area_greece + area_hungary + area_ireland + area_italy \ + area_latvia + area_lithuania + area_luxembourg \ + area_malta + area_netherlands + area_poland \ + area_portugal + area_romania + area_slovakia \ + area_slovenia + area_spain + area_sweden area_eu area_europeanunion # # Areas of the individual US states # # https://en.wikipedia.org/wiki/List_of_U.S._states_and_territories_by_area # # United States Summary: 2010, Population and Housing Unit Counts, Table 18, p. 41 # Issued September 2012 area_alaska 1723336.8 km^2 area_texas 695661.6 km^2 area_california 423967.4 km^2 area_montana 380831.1 km^2 area_newmexico 314917.4 km^2 area_arizona 295233.5 km^2 area_nevada 286379.7 km^2 area_colorado 269601.4 km^2 area_oregon 254799.2 km^2 area_wyoming 253334.5 km^2 area_michigan 250486.8 km^2 area_minnesota 225162.8 km^2 area_utah 219881.9 km^2 area_idaho 216442.6 km^2 area_kansas 213100.0 km^2 area_nebraska 200329.9 km^2 area_southdakota 199728.7 km^2 area_washington 184660.8 km^2 area_northdakota 183107.8 km^2 area_oklahoma 181037.2 km^2 area_missouri 180540.3 km^2 area_florida 170311.7 km^2 area_wisconsin 169634.8 km^2 area_georgia_us 153910.4 km^2 area_illinois 149995.4 km^2 area_iowa 145745.9 km^2 area_newyork 141296.7 km^2 area_northcarolina 139391.0 km^2 area_arkansas 137731.8 km^2 area_alabama 135767.4 km^2 area_louisiana 135658.7 km^2 area_mississippi 125437.7 km^2 area_pennsylvania 119280.2 km^2 area_ohio 116097.7 km^2 area_virginia 110786.6 km^2 area_tennessee 109153.1 km^2 area_kentucky 104655.7 km^2 area_indiana 94326.2 km^2 area_maine 91633.1 km^2 area_southcarolina 82932.7 km^2 area_westvirginia 62755.5 km^2 area_maryland 32131.2 km^2 area_hawaii 28313.0 km^2 area_massachusetts 27335.7 km^2 area_vermont 24906.3 km^2 area_newhampshire 24214.2 km^2 area_newjersey 22591.4 km^2 area_connecticut 14357.4 km^2 area_delaware 6445.8 km^2 area_rhodeisland 4001.2 km^2 area_districtofcolumbia 177.0 km^2 area_unitedstates area_alabama + area_alaska + area_arizona \ + area_arkansas + area_california + area_colorado \ + area_connecticut + area_delaware \ + area_districtofcolumbia + area_florida \ + area_georgia_us + area_hawaii + area_idaho \ + area_illinois + area_indiana + area_iowa \ + area_kansas + area_kentucky + area_louisiana \ + area_maine + area_maryland + area_massachusetts \ + area_michigan + area_minnesota + area_mississippi \ + area_missouri + area_montana + area_nebraska \ + area_nevada + area_newhampshire + area_newjersey \ + area_newmexico + area_newyork + area_northcarolina \ + area_northdakota + area_ohio + area_oklahoma \ + area_oregon + area_pennsylvania + area_rhodeisland \ + area_southcarolina + area_southdakota \ + area_tennessee + area_texas + area_utah \ + area_vermont + area_virginia + area_washington \ + area_westvirginia + area_wisconsin + area_wyoming # Total area of Canadian province and territories # # Statistics Canada, "Land and freshwater area, by province and territory", # 2016-10-07: # # https://www150.statcan.gc.ca/n1/pub/11-402-x/2012000/chap/geo/tbl/tbl06-eng.htm area_ontario 1076395 km^2 # confederated 1867-Jul-01 area_quebec 1542056 km^2 # confederated 1867-Jul-01 area_novascotia 55284 km^2 # confederated 1867-Jul-01 area_newbrunswick 72908 km^2 # confederated 1867-Jul-01 area_canada_original area_ontario + area_quebec + area_novascotia \ + area_newbrunswick area_manitoba 647797 km^2 # confederated 1870-Jul-15 area_britishcolumbia 944735 km^2 # confederated 1871-Jul-20 area_princeedwardisland 5660 km^2 # confederated 1873-Jul-01 area_canada_additional area_manitoba + area_britishcolumbia \ + area_princeedwardisland area_alberta 661848 km^2 # confederated 1905-Sep-01 area_saskatchewan 651036 km^2 # confederated 1905-Sep-01 area_newfoundlandandlabrador 405212 km^2 # confederated 1949-Mar-31 area_canada_recent area_alberta + area_saskatchewan \ + area_newfoundlandandlabrador area_canada_provinces area_canada_original + area_canada_additional \ + area_canada_recent area_northwestterritories 1346106 km^2 # NT confederated 1870-Jul-15 area_yukon 482443 km^2 # YT confederated 1898-Jun-13 area_nunavut 2093190 km^2 # NU confederated 1999-Apr-01 area_canada_territories area_northwestterritories + area_yukon \ + area_nunavut area_canada area_canada_provinces + area_canada_territories # area-uk-countries.units - UK country (/province) total areas # https://en.wikipedia.org/wiki/Countries_of_the_United_Kingdom#Statistics # GB is official UK country code for some purposes but internally is a Kingdom # # areas from A Beginners Guide to UK Geography 2019 v1.0, Office for National Statistics # England: country; 0927-Jul-12 united; 1603-Mar-24 union of crowns area_england 132947.76 km^2 # # Wales: 1282 conquered; 1535 union; principality until 2011 area_wales 21224.48 km^2 # # England and Wales: nation; 1535 union area_englandwales area_england + area_wales # # Scotland: country; ~900 united; 1603-Mar-24 union of crowns area_scotland 80226.36 km^2 # # Great Britain: kingdom; excludes NI; # 1707 Treaty and Acts of Union: union of parliaments area_greatbritain area_england + area_wales + area_scotland area_gb area_greatbritain # # Northern Ireland: province; Ireland: 1177 Henry II lordship; # 1542 Henry VIII kingdom; 1652 Cromwell commonwealth; # 1691 William III kingdom; 1800 Acts of Union: UK of GB & Ireland; # 1921 Irish Free State independent of UK area_northernireland 14133.38 km^2 # # United Kingdom of GB & NI: 1800 Acts of Union: UK of GB & Ireland; # 1921 Irish Free State independent of UK area_unitedkingdom area_greatbritain + area_northernireland area_uk area_unitedkingdom # # Units derived from imperial system # ouncedal oz ft / s^2 # force which accelerates an ounce # at 1 ft/s^2 poundal lb ft / s^2 # same thing for a pound tondal longton ft / s^2 # and for a ton pdl poundal osi ounce force / inch^2 # used in aviation psi pound force / inch^2 psia psi # absolute pressure # Note that gauge pressure can be given # using the gaugepressure() and # psig() nonlinear unit definitions tsi ton force / inch^2 reyn psi sec slug lbf s^2 / ft slugf slug force slinch lbf s^2 / inch # Mass unit derived from inch second slinchf slinch force # pound-force system. Used in space # applications where in/sec^2 was a # natural acceleration measure. geepound slug lbf lb force tonf ton force lbm lb kip 1000 lbf # from kilopound ksi kip / in^2 mil 0.001 inch thou 0.001 inch tenth 0.0001 inch # one tenth of one thousandth of an inch millionth 1e-6 inch # one millionth of an inch circularinch 1|4 pi in^2 # area of a one-inch diameter circle circleinch circularinch # A circle with diameter d inches has # an area of d^2 circularinches cylinderinch circleinch inch # Cylinder h inch tall, d inches diameter # has volume d^2 h cylinder inches circularmil 1|4 pi mil^2 # area of one-mil diameter circle cmil circularmil cental 100 pound centner cental caliber 0.01 inch # for measuring bullets duty ft lbf celo ft / s^2 jerk ft / s^3 australiapoint 0.01 inch # The "point" is used to measure rainfall # in Australia sabin ft^2 # Measure of sound absorption equal to the # absorbing power of one square foot of # a perfectly absorbing material. The # sound absorptivity of an object is the # area times a dimensionless # absorptivity coefficient. standardgauge 4 ft + 8.5 in # Standard width between railroad track flag 5 ft^2 # Construction term referring to sidewalk. rollwallpaper 30 ft^2 # Area of roll of wall paper fillpower in^3 / ounce # Density of down at standard pressure. # The best down has 750-800 fillpower. pinlength 1|16 inch # A #17 pin is 17/16 in long in the USA. buttonline 1|40 inch # The line was used in 19th century USA # to measure width of buttons. beespace 1|4 inch # Bees will fill any space that is smaller # than the bee space and leave open # spaces that are larger. The size of # the space varies with species. diamond 8|5 ft # Marking on US tape measures that is # useful to carpenters who wish to place # five studs in an 8 ft distance. Note # that the numbers appear in red every # 16 inches as well, giving six # divisions in 8 feet. retmaunit 1.75 in # Height of rack mountable equipment. U retmaunit # Equipment should be 1|32 inch narrower RU U # than its U measurement indicates to # allow for clearance, so 4U=(6+31|32)in # RETMA stands for the former name of # the standardizing organization, Radio # Electronics Television Manufacturers # Association. This organization is now # called the Electronic Industries # Alliance (EIA) and the rack standard # is specified in EIA RS-310-D. count per pound # For measuring the size of shrimp flightlevel 100 ft # Flight levels are used to ensure safe FL flightlevel # vertical separation between aircraft # despite variations in local air # pressure. Flight levels define # altitudes based on a standard air # pressure so that altimeter calibration # is not needed. This means that # aircraft at separated flight levels # are guaranteed to be separated. # Hence the definition of 100 feet is # a nominal, not true, measure. # Customarily written with no space in # the form FL290, which will not work in # units. But note "FL 290" will work. # # Other units of work, energy, power, etc # # Calorie: approximate energy to raise a gram of water one degree celsius calorie cal_th # Default is the thermochemical calorie cal calorie calorie_th 4.184 J # Thermochemical calorie, defined in 1930 thermcalorie calorie_th # by Frederick Rossini as 4.1833 J to cal_th calorie_th # avoid difficulties associated with the # uncertainty in the heat capacity of # water. In 1948 the value of the joule # was changed, so the thermochemical # calorie was redefined to 4.184 J. # This kept the energy measured by this # unit the same. calorie_IT 4.1868 J # International (Steam) Table calorie, cal_IT calorie_IT # defined in 1929 as watt-hour/860 or # equivalently 180|43 joules. At this # time the international joule had a # different value than the modern joule, # and the values were different in the # USA and in Europe. In 1956 at the # Fifth International Conference on # Properties of Steam the exact # definition given here was adopted. calorie_15 4.18580 J # Energy to go from 14.5 to 15.5 degC cal_15 calorie_15 calorie_fifteen cal_15 calorie_20 4.18190 J # Energy to go from 19.5 to 20.5 degC cal_20 calorie_20 calorie_twenty calorie_20 calorie_4 4.204 J # Energy to go from 3.5 to 4.5 degC cal_4 calorie_4 calorie_four calorie_4 cal_mean 4.19002 J # 1|100 energy to go from 0 to 100 degC Calorie kilocalorie # the food Calorie thermie 1e6 cal_15 # Heat required to raise the # temperature of a tonne of # water from 14.5 to 15.5 degC. # btu definitions: energy to raise a pound of water 1 degF btu btu_IT # International Table BTU is the default britishthermalunit btu btu_IT cal_IT lb degF / gram K btu_th cal_th lb degF / gram K btu_mean cal_mean lb degF / gram K btu_15 cal_15 lb degF / gram K btu_ISO 1055.06 J # Exact, rounded ISO definition based # on the IT calorie quad quadrillion btu ECtherm 1e5 btu_ISO # Exact definition UStherm 1.054804e8 J # Exact definition, therm UStherm # Water latent heat from [23] water_fusion_heat 6.01 kJ/mol / (18.015 g/mol) # At 0 deg C water_vaporization_heat 2256.4 J/g # At saturation, 100 deg C, 101.42 kPa # Specific heat capacities of various substances specificheat_water calorie / g K water_specificheat specificheat_water # Values from www.engineeringtoolbox.com/specific-heat-metals-d_152.html specificheat_aluminum 0.91 J/g K specificheat_antimony 0.21 J/g K specificheat_barium 0.20 J/g K specificheat_beryllium 1.83 J/g K specificheat_bismuth 0.13 J/g K specificheat_cadmium 0.23 J/g K specificheat_cesium 0.24 J/g K specificheat_chromium 0.46 J/g K specificheat_cobalt 0.42 J/g K specificheat_copper 0.39 J/g K specificheat_gallium 0.37 J/g K specificheat_germanium 0.32 J/g K specificheat_gold 0.13 J/g K specificheat_hafnium 0.14 J/g K specificheat_indium 0.24 J/g K specificheat_iridium 0.13 J/g K specificheat_iron 0.45 J/g K specificheat_lanthanum 0.195 J/g K specificheat_lead 0.13 J/g K specificheat_lithium 3.57 J/g K specificheat_lutetium 0.15 J/g K specificheat_magnesium 1.05 J/g K specificheat_manganese 0.48 J/g K specificheat_mercury 0.14 J/g K specificheat_molybdenum 0.25 J/g K specificheat_nickel 0.44 J/g K specificheat_osmium 0.13 J/g K specificheat_palladium 0.24 J/g K specificheat_platinum 0.13 J/g K specificheat_plutonum 0.13 J/g K specificheat_potassium 0.75 J/g K specificheat_rhenium 0.14 J/g K specificheat_rhodium 0.24 J/g K specificheat_rubidium 0.36 J/g K specificheat_ruthenium 0.24 J/g K specificheat_scandium 0.57 J/g K specificheat_selenium 0.32 J/g K specificheat_silicon 0.71 J/g K specificheat_silver 0.23 J/g K specificheat_sodium 1.21 J/g K specificheat_strontium 0.30 J/g K specificheat_tantalum 0.14 J/g K specificheat_thallium 0.13 J/g K specificheat_thorium 0.13 J/g K specificheat_tin 0.21 J/g K specificheat_titanium 0.54 J/g K specificheat_tungsten 0.13 J/g K specificheat_uranium 0.12 J/g K specificheat_vanadium 0.39 J/g K specificheat_yttrium 0.30 J/g K specificheat_zinc 0.39 J/g K specificheat_zirconium 0.27 J/g K specificheat_ethanol 2.3 J/g K specificheat_ammonia 4.6 J/g K specificheat_freon 0.91 J/g K # R-12 at 0 degrees Fahrenheit specificheat_gasoline 2.22 J/g K specificheat_iodine 2.15 J/g K specificheat_oliveoil 1.97 J/g K # en.wikipedia.org/wiki/Heat_capacity#Table_of_specific_heat_capacities specificheat_hydrogen 14.3 J/g K specificheat_helium 5.1932 J/g K specificheat_argon 0.5203 J/g K specificheat_tissue 3.5 J/g K specificheat_diamond 0.5091 J/g K specificheat_granite 0.79 J/g K specificheat_graphite 0.71 J/g K specificheat_ice 2.11 J/g K specificheat_asphalt 0.92 J/g K specificheat_brick 0.84 J/g K specificheat_concrete 0.88 J/g K specificheat_glass_silica 0.84 J/g K specificheat_glass_flint 0.503 J/g K specificheat_glass_pyrex 0.753 J/g K specificheat_gypsum 1.09 J/g K specificheat_marble 0.88 J/g K specificheat_sand 0.835 J/g K specificheat_soil 0.835 J/g K specificheat_wood 1.7 J/g K specificheat_sucrose 1.244 J/g K #www.sugartech.co.za/heatcapacity/index.php # Energy densities of various fuels # # Most of these fuels have varying compositions or qualities and hence their # actual energy densities vary. These numbers are hence only approximate. # # E1. http://bioenergy.ornl.gov/papers/misc/energy_conv.html # E2. http://www.aps.org/policy/reports/popa-reports/energy/units.cfm # E3. http://www.ior.com.au/ecflist.html tonoil 1e10 cal_IT # Ton oil equivalent. A conventional # value for the energy released by toe tonoil # burning one metric ton of oil. [18,E2] # Note that energy per mass of petroleum # products is fairly constant. # Variations in volumetric energy # density result from variations in the # density (kg/m^3) of different fuels. # This definition is given by the # IEA/OECD. toncoal 7e9 cal_IT # Energy in metric ton coal from [18]. # This is a nominal value which # is close to the heat content # of coal used in the 1950's barreloil 5.8 Mbtu # Conventional value for barrel of crude # oil [E2]. Actual range is 5.6 - 6.3. naturalgas_HHV 1027 btu/ft3 # Energy content of natural gas. HHV naturalgas_LHV 930 btu/ft3 # is for Higher Heating Value and naturalgas naturalgas_HHV # includes energy from condensation # combustion products. LHV is for Lower # Heating Value and excludes these. # American publications typically report # HHV whereas European ones report LHV. charcoal 30 GJ/tonne woodenergy_dry 20 GJ/tonne # HHV, a cord weights about a tonne woodenergy_airdry 15 GJ/tonne # 20% moisture content coal_bituminous 27 GJ / tonne coal_lignite 15 GJ / tonne coal_US 22 GJ / uston # Average for US coal (short ton), 1995 ethanol_HHV 84000 btu/usgallon ethanol_LHV 75700 btu/usgallon diesel 130500 btu/usgallon gasoline_LHV 115000 btu/usgallon gasoline_HHV 125000 btu/usgallon gasoline gasoline_HHV heating 37.3 MJ/liter fueloil 39.7 MJ/liter # low sulphur propane 93.3 MJ/m^3 butane 124 MJ/m^3 # These values give total energy from uranium fission. Actual efficiency # of nuclear power plants is around 30%-40%. Note also that some reactors # use enriched uranium around 3% U-235. Uranium during processing or use # may be in a compound of uranium oxide or uranium hexafluoride, in which # case the energy density would be lower depending on how much uranium is # in the compound. uranium_pure 200 MeV avogadro / (235.0439299 g/mol) # Pure U-235 uranium_natural 0.7% uranium_pure # Natural uranium: 0.7% U-235 # Celsius heat unit: energy to raise a pound of water 1 degC celsiusheatunit cal lb degC / gram K chu celsiusheatunit # "Apparent" average power in an AC circuit, the product of rms voltage # and rms current, equal to the true power in watts when voltage and # current are in phase. In a DC circuit, always equal to the true power. VA volt ampere kWh kilowatt hour # The horsepower is supposedly the power of one horse pulling. Obviously # different people had different horses. horsepower 550 foot pound force / sec # Invented by James Watt mechanicalhorsepower horsepower hp horsepower metrichorsepower 75 kilogram force meter / sec # PS=Pferdestaerke in electrichorsepower 746 W # Germany boilerhorsepower 9809.50 W waterhorsepower 746.043 W brhorsepower horsepower # Value corrected Dec, 2019. Was 745.7 W. donkeypower 250 W chevalvapeur metrichorsepower # # Heat Transfer # # Thermal conductivity, K, measures the rate of heat transfer across # a material. The heat transfered is # Q = K dT A t / L # where dT is the temperature difference across the material, A is the # cross sectional area, t is the time, and L is the length (thickness). # Thermal conductivity is a material property. THERMAL_CONDUCTIVITY POWER / AREA (TEMPERATURE_DIFFERENCE/LENGTH) THERMAL_RESISTIVITY 1/THERMAL_CONDUCTIVITY # Thermal conductance is the rate at which heat flows across a given # object, so the area and thickness have been fixed. It depends on # the size of the object and is hence not a material property. THERMAL_CONDUCTANCE POWER / TEMPERATURE_DIFFERENCE THERMAL_RESISTANCE 1/THERMAL_CONDUCTANCE # Thermal admittance is the rate of heat flow per area across an # object whose thickness has been fixed. Its reciprocal, thermal # insulation, is used to for measuring the heat transfer per area # of sheets of insulation or cloth that are of specified thickness. THERMAL_ADMITTANCE THERMAL_CONDUCTIVITY / LENGTH THERMAL_INSULANCE THERMAL_RESISTIVITY LENGTH THERMAL_INSULATION THERMAL_RESISTIVITY LENGTH Rvalue degF ft^2 hr / btu Uvalue 1/Rvalue europeanUvalue watt / m^2 K RSI degC m^2 / W clo 0.155 degC m^2 / W # Supposed to be the insulance # required to keep a resting person # comfortable indoors. The value # given is from NIST and the CRC, # but [5] gives a slightly different # value of 0.875 ft^2 degF hr / btu. tog 0.1 degC m^2 / W # Also used for clothing. # Thermal Conductivity of a few materials diamond_natural_thermal_conductivity 2200 W / m K diamond_synthetic_thermal_conductivity 3320 W / m K # 99% pure C12 silver_thermal_conductivity 406 W / m K aluminum_thermal_conductivity 205 W / m K copper_thermal_conductivity 385 W / m K gold_thermal_conductivity 314 W / m K iron_thermal_conductivity 79.5 W / m K stainless_304_thermal_conductivity 15.5 W / m K # average value # The bel was defined by engineers of Bell Laboratories to describe the # reduction in audio level over a length of one mile. It was originally # called the transmission unit (TU) but was renamed around 1923 to honor # Alexander Graham Bell. The bel proved inconveniently large so the decibel # has become more common. The decibel is dimensionless since it reports a # ratio, but it is used in various contexts to report a signal's power # relative to some reference level. bel(x) units=[1;1] range=(0,) 10^(x); log(bel) # Basic bel definition decibel(x) units=[1;1] range=(0,) 10^(x/10); 10 log(decibel) # Basic decibel dB() decibel # Abbreviation dBW(x) units=[1;W] range=(0,) dB(x) W ; ~dB(dBW/W) # Reference = 1 W dBk(x) units=[1;W] range=(0,) dB(x) kW ; ~dB(dBk/kW) # Reference = 1 kW dBf(x) units=[1;W] range=(0,) dB(x) fW ; ~dB(dBf/fW) # Reference = 1 fW dBm(x) units=[1;W] range=(0,) dB(x) mW ; ~dB(dBm/mW) # Reference = 1 mW dBmW(x) units=[1;W] range=(0,) dBm(x) ; ~dBm(dBmW) # Reference = 1 mW dBJ(x) units=[1;J] range=(0,) dB(x) J; ~dB(dBJ/J) # Energy relative # to 1 joule. Used for power spectral # density since W/Hz = J # When used to measure amplitude, voltage, or current the signal is squared # because power is proportional to the square of these measures. The root # mean square (RMS) voltage is typically used with these units. dB_amplitude(x) units=[1;1] dB(0.5 x) ; ~dB(dB_amplitude^2) dBV(x) units=[1;V] range=(0,) dB(0.5 x) V;~dB(dBV^2 / V^2) # Reference = 1 V dBmV(x) units=[1;V] range=(0,) dB(0.5 x) mV;~dB(dBmV^2/mV^2)# Reference = 1 mV dBuV(x) units=[1;V] range=(0,) dB(0.5 x) microV ; ~dB(dBuV^2 / microV^2) # Reference = 1 microvolt # Here are dB measurements for current. Be aware that dbA is also # a unit for frequency weighted sound pressure. dBA(x) units=[1;A] range=(0,) dB(0.5 x) A;~dB(dBA^2 / A^2) # Reference = 1 A dBmA(x) units=[1;A] range=(0,) dB(0.5 x) mA;~dB(dBmA^2/mA^2)# Reference = 1 mA dBuA(x) units=[1;A] range=(0,) dB(0.5 x) microA ; ~dB(dBuA^2 / microA^2) # Reference = 1 microamp # Referenced to the voltage that causes 1 mW dissipation in a 600 ohm load. # Originally defined as dBv but changed to prevent confusion with dBV. # The "u" is for unloaded. dBu(x) units=[1;V] range=(0,) dB(0.5 x) sqrt(mW 600 ohm) ; \ ~dB(dBu^2 / mW 600 ohm) dBv(x) units=[1;V] range=(0,) dBu(x) ; ~dBu(dBv) # Synonym for dBu # Measurements for sound in air, referenced to the threshold of human hearing # Note that sound in other media typically uses 1 micropascal as a reference # for sound pressure. Units dBA, dBB, dBC, refer to different frequency # weightings meant to approximate the human ear's response. # sound pressure level dBSPL(x) units=[1;Pa] range=(0,) dB(0.5 x) 20 microPa ; \ ~dB(dBSPL^2 / (20 microPa)^2) # sound intensity level dBSIL(x) units=[1;W/m^2] range=(0,) dB(x) 1e-12 W/m^2; \ ~dB(dBSIL / (1e-12 W/m^2)) # sound power level (The W in SWL is for the reference power, 1 W.) dBSWL(x) units=[1;W] range=(0,) dB(x) 1e-12 W; ~dB(dBSWL/1e-12 W) # The neper is another similar logarithmic unit. Note that the neper # is defined based on the ratio of amplitudes rather than the power # ratio like the decibel. This means that if the data is power, and # you convert to nepers you should take the square root of the data # to convert to amplitude. If you want to convert nepers to a power # measurement you need to square the resulting output. neper(x) units=[1;1] range=(0,) exp(x); ln(neper) centineper(x) units=[1;1] range=(0,) exp(x/100); 100 ln(centineper) Np() neper cNp() centineper Np_power(x) units=[1;1] Np(2 x) ; ~Np(Np_power)/2 # Misc other measures ENTROPY ENERGY / TEMPERATURE clausius 1e3 cal/K # A unit of physical entropy langley thermcalorie/cm^2 # Used in radiation theory poncelet 100 kg force m / s tonrefrigeration uston 144 btu / lb day # One ton refrigeration is # the rate of heat extraction required # turn one ton of water to ice in # a day. Ice is defined to have a # latent heat of 144 btu/lb. tonref tonrefrigeration refrigeration tonref / ton frigorie 1000 cal_15 # Used in refrigeration engineering. airwatt 8.5 (ft^3/min) inH2O # Measure of vacuum power as # pressure times air flow. # The unit "tnt" is defined so that you can write "tons tnt". The # question of which ton, exactly, is intended. The answer is that # nobody knows: # # Quoting the footnote from page 13 of # https://www.dtra.mil/Portals/61/Documents/NTPR/4-Rad_Exp_Rpts/36_The_Effects_of_Nuclear_Weapons.pdf # # The majority of the experimental and theoretical values of the # explosive energy released by TNT range from 900 to 1,100 calories per # gram. At one time, there was some uncertainty as to whether the term # “kiloton” of TNT referred to a short kiloton (2*10^6 pounds), a metric # kiloton (2.205*10^6 pounds), or a long kiloton (2.24*10^6 pounds). In # order to avoid ambiguity, it was agreed that the term “kiloton” would # refer to the release of 10^12 calories of explosive energy. This is # equivalent to 1 short kiloton of TNT if the energy release is 1,102 # calories per gram or to 1 long kiloton if the energy is 984 calories # per gram of TNT. # # It is therefore not well-defined how much energy a "gram of tnt" is, # though this term does appear in some references. tnt 1e9 cal_th / ton # Defined exact value # Nuclear weapon yields davycrocket 10 ton tnt # lightest US tactical nuclear weapon hiroshima 15.5 kiloton tnt # Uranium-235 fission bomb nagasaki 21 kiloton tnt # Plutonium-239 fission bomb fatman nagasaki littleboy hiroshima ivyking 500 kiloton tnt # most powerful fission bomb castlebravo 15 megaton tnt # most powerful US test tsarbomba 50 megaton tnt # most powerful test ever: USSR, # 30 October 1961 b53bomb 9 megaton tnt # http://rarehistoricalphotos.com/gadget-first-atomic-bomb/ trinity 18 kiloton tnt # July 16, 1945 gadget trinity # # Permeability: The permeability or permeance, n, of a substance determines # how fast vapor flows through the substance. The formula W = n A dP # holds where W is the rate of flow (in mass/time), n is the permeability, # A is the area of the flow path, and dP is the vapor pressure difference. # perm_0C grain / hr ft^2 inHg perm_zero perm_0C perm_0 perm_0C perm perm_0C perm_23C grain / hr ft^2 in Hg23C perm_twentythree perm_23C # # Counting measures # pair 2 brace 2 nest 3 # often used for items like bowls that # nest together hattrick 3 # Used in sports, especially cricket and ice # hockey to report the number of goals. dicker 10 dozen 12 bakersdozen 13 score 20 flock 40 timer 40 shock 60 toncount 100 # Used in sports in the UK longhundred 120 # From a germanic counting system gross 144 greatgross 12 gross tithe 1|10 # From Anglo-Saxon word for tenth # Paper counting measure shortquire 24 quire 25 shortream 480 ream 500 perfectream 516 bundle 2 reams bale 5 bundles # # Paper measures # # USA paper sizes lettersize 8.5 inch 11 inch legalsize 8.5 inch 14 inch ledgersize 11 inch 17 inch executivesize 7.25 inch 10.5 inch Apaper 8.5 inch 11 inch Bpaper 11 inch 17 inch Cpaper 17 inch 22 inch Dpaper 22 inch 34 inch Epaper 34 inch 44 inch # Correspondence envelope sizes. #10 is the standard business # envelope in the USA. envelope6_25size 3.5 inch 6 inch envelope6_75size 3.625 inch 6.5 inch envelope7size 3.75 inch 6.75 inch envelope7_75size 3.875 inch 7.5 inch envelope8_625size 3.625 inch 8.625 inch envelope9size 3.875 inch 8.875 inch envelope10size 4.125 inch 9.5 inch envelope11size 4.5 inch 10.375 inch envelope12size 4.75 inch 11 inch envelope14size 5 inch 11.5 inch envelope16size 6 inch 12 inch # Announcement envelope sizes (no relation to metric paper sizes like A4) envelopeA1size 3.625 inch 5.125 inch # same as 4bar envelopeA2size 4.375 inch 5.75 inch envelopeA6size 4.75 inch 6.5 inch envelopeA7size 5.25 inch 7.25 inch envelopeA8size 5.5 inch 8.125 inch envelopeA9size 5.75 inch 8.75 inch envelopeA10size 6 inch 9.5 inch # Baronial envelopes envelope4bar 3.625 inch 5.125 inch # same as A1 envelope5_5bar 4.375 inch 5.75 inch envelope6bar 4.75 inch 6.5 inch # Coin envelopes envelope1baby 2.25 inch 3.5 inch # same as #1 coin envelope00coin 1.6875 inch 2.75 inch envelope1coin 2.25 inch 3.5 inch envelope3coin 2.5 inch 4.25 inch envelope4coin 3 inch 4.5 inch envelope4_5coin 3 inch 4.875 inch envelope5coin 2.875 inch 5.25 inch envelope5_5coin 3.125 inch 5.5 inch envelope6coin 3.375 inch 6 inch envelope7coin 3.5 inch 6.5 inch # The metric paper sizes are defined so that if a sheet is cut in half # along the short direction, the result is two sheets which are # similar to the original sheet. This means that for any metric size, # the long side is close to sqrt(2) times the length of the short # side. Each series of sizes is generated by repeated cuts in half, # with the values rounded down to the nearest millimeter. A0paper 841 mm 1189 mm # The basic size in the A series A1paper 594 mm 841 mm # is defined to have an area of A2paper 420 mm 594 mm # one square meter. A3paper 297 mm 420 mm A4paper 210 mm 297 mm A5paper 148 mm 210 mm A6paper 105 mm 148 mm A7paper 74 mm 105 mm A8paper 52 mm 74 mm A9paper 37 mm 52 mm A10paper 26 mm 37 mm B0paper 1000 mm 1414 mm # The basic B size has an area B1paper 707 mm 1000 mm # of sqrt(2) square meters. B2paper 500 mm 707 mm B3paper 353 mm 500 mm B4paper 250 mm 353 mm B5paper 176 mm 250 mm B6paper 125 mm 176 mm B7paper 88 mm 125 mm B8paper 62 mm 88 mm B9paper 44 mm 62 mm B10paper 31 mm 44 mm C0paper 917 mm 1297 mm # The basic C size has an area C1paper 648 mm 917 mm # of sqrt(sqrt(2)) square meters. C2paper 458 mm 648 mm C3paper 324 mm 458 mm # Intended for envelope sizes C4paper 229 mm 324 mm C5paper 162 mm 229 mm C6paper 114 mm 162 mm C7paper 81 mm 114 mm C8paper 57 mm 81 mm C9paper 40 mm 57 mm C10paper 28 mm 40 mm # gsm (Grams per Square Meter), a sane, metric paper weight measure gsm grams / meter^2 # In the USA, a collection of crazy historical paper measures are used. Paper # is measured as a weight of a ream of that particular type of paper. This is # sometimes called the "substance" or "basis" (as in "substance 20" paper). # The standard sheet size or "basis size" varies depending on the type of # paper. As a result, 20 pound bond paper and 50 pound text paper are actually # about the same weight. The different sheet sizes were historically the most # convenient for printing or folding in the different applications. These # different basis weights are standards maintained by American Society for # Testing Materials (ASTM) and the American Forest and Paper Association # (AF&PA). poundbookpaper lb / 25 inch 38 inch ream lbbook poundbookpaper poundtextpaper poundbookpaper lbtext poundtextpaper poundoffsetpaper poundbookpaper # For offset printing lboffset poundoffsetpaper poundbiblepaper poundbookpaper # Designed to be lightweight, thin, lbbible poundbiblepaper # strong and opaque. poundtagpaper lb / 24 inch 36 inch ream lbtag poundtagpaper poundbagpaper poundtagpaper lbbag poundbagpaper poundnewsprintpaper poundtagpaper lbnewsprint poundnewsprintpaper poundposterpaper poundtagpaper lbposter poundposterpaper poundtissuepaper poundtagpaper lbtissue poundtissuepaper poundwrappingpaper poundtagpaper lbwrapping poundwrappingpaper poundwaxingpaper poundtagpaper lbwaxing poundwaxingpaper poundglassinepaper poundtagpaper lbglassine poundglassinepaper poundcoverpaper lb / 20 inch 26 inch ream lbcover poundcoverpaper poundindexpaper lb / 25.5 inch 30.5 inch ream lbindex poundindexpaper poundindexbristolpaper poundindexpaper lbindexbristol poundindexpaper poundbondpaper lb / 17 inch 22 inch ream # Bond paper is stiff and lbbond poundbondpaper # durable for repeated poundwritingpaper poundbondpaper # filing, and it resists lbwriting poundwritingpaper # ink penetration. poundledgerpaper poundbondpaper lbledger poundledgerpaper poundcopypaper poundbondpaper lbcopy poundcopypaper poundblottingpaper lb / 19 inch 24 inch ream lbblotting poundblottingpaper poundblankspaper lb / 22 inch 28 inch ream lbblanks poundblankspaper poundpostcardpaper lb / 22.5 inch 28.5 inch ream lbpostcard poundpostcardpaper poundweddingbristol poundpostcardpaper lbweddingbristol poundweddingbristol poundbristolpaper poundweddingbristol lbbristol poundbristolpaper poundboxboard lb / 1000 ft^2 lbboxboard poundboxboard poundpaperboard poundboxboard lbpaperboard poundpaperboard # When paper is marked in units of M, it means the weight of 1000 sheets of the # given size of paper. To convert this to paper weight, divide by the size of # the paper in question. paperM lb / 1000 # In addition paper weight is reported in "caliper" which is simply the # thickness of one sheet, typically in inches. Thickness is also reported in # "points" where a point is 1|1000 inch. These conversions are supplied to # convert these units roughly (using an approximate density) into the standard # paper weight values. pointthickness 0.001 in paperdensity 0.8 g/cm^3 # approximate--paper densities vary! papercaliper in paperdensity paperpoint pointthickness paperdensity # # Printing # fournierpoint 0.1648 inch / 12 # First definition of the printers # point made by Pierre Fournier who # defined it in 1737 as 1|12 of a # cicero which was 0.1648 inches. olddidotpoint 1|72 frenchinch # François Ambroise Didot, one of # a family of printers, changed # Fournier's definition around 1770 # to fit to the French units then in # use. bertholdpoint 1|2660 m # H. Berthold tried to create a # metric version of the didot point # in 1878. INpoint 0.4 mm # This point was created by a # group directed by Fermin Didot in # 1881 and is associated with the # imprimerie nationale. It doesn't # seem to have been used much. germandidotpoint 0.376065 mm # Exact definition appears in DIN # 16507, a German standards document # of 1954. Adopted more broadly in # 1966 by ??? metricpoint 3|8 mm # Proposed in 1977 by Eurograf oldpoint 1|72.27 inch # The American point was invented printerspoint oldpoint # by Nelson Hawks in 1879 and texpoint oldpoint # dominates USA publishing. # It was standardized by the American # Typefounders Association at the # value of 0.013837 inches exactly. # Knuth uses the approximation given # here (which is very close). The # comp.fonts FAQ claims that this # value is supposed to be 1|12 of a # pica where 83 picas is equal to 35 # cm. But this value differs from # the standard. texscaledpoint 1|65536 texpoint # The TeX typesetting system uses texsp texscaledpoint # this for all computations. computerpoint 1|72 inch # The American point was rounded point computerpoint computerpica 12 computerpoint # to an even 1|72 inch by computer postscriptpoint computerpoint # people at some point. pspoint postscriptpoint twip 1|20 point # TWentieth of an Imperial Point Q 1|4 mm # Used in Japanese phototypesetting # Q is for quarter frenchprinterspoint olddidotpoint didotpoint germandidotpoint # This seems to be the dominant value europeanpoint didotpoint # for the point used in Europe cicero 12 didotpoint stick 2 inches # Type sizes excelsior 3 oldpoint brilliant 3.5 oldpoint diamondtype 4 oldpoint pearl 5 oldpoint agate 5.5 oldpoint # Originally agate type was 14 lines per # inch, giving a value of 1|14 in. ruby agate # British nonpareil 6 oldpoint mignonette 6.5 oldpoint emerald mignonette # British minion 7 oldpoint brevier 8 oldpoint bourgeois 9 oldpoint longprimer 10 oldpoint smallpica 11 oldpoint pica 12 oldpoint english 14 oldpoint columbian 16 oldpoint greatprimer 18 oldpoint paragon 20 oldpoint meridian 44 oldpoint canon 48 oldpoint # German type sizes nonplusultra 2 didotpoint brillant 3 didotpoint diamant 4 didotpoint perl 5 didotpoint nonpareille 6 didotpoint kolonel 7 didotpoint petit 8 didotpoint borgis 9 didotpoint korpus 10 didotpoint corpus korpus garamond korpus mittel 14 didotpoint tertia 16 didotpoint text 18 didotpoint kleine_kanon 32 didotpoint kanon 36 didotpoint grobe_kanon 42 didotpoint missal 48 didotpoint kleine_sabon 72 didotpoint grobe_sabon 84 didotpoint # # Information theory units. Note that the name "entropy" is used both # to measure information and as a physical quantity. # INFORMATION bit nat (1/ln(2)) bits # Entropy measured base e hartley log2(10) bits # Entropy of a uniformly ban hartley # distributed random variable # over 10 symbols. dit hartley # from Decimal digIT # # Computer # bps bit/sec # Sometimes the term "baud" is # incorrectly used to refer to # bits per second. Baud refers # to symbols per second. Modern # modems transmit several bits # per symbol. byte 8 bit # Not all machines had 8 bit B byte # bytes, but these days most of # them do. But beware: for # transmission over modems, a # few extra bits are used so # there are actually 10 bits per # byte. octet 8 bits # The octet is always 8 bits nybble 4 bits # Half of a byte. Sometimes # equal to different lengths # such as 3 bits. nibble nybble nyp 2 bits # Donald Knuth asks in an exercise # for a name for a 2 bit # quantity and gives the "nyp" # as a solution due to Gregor # Purdy. Not in common use. meg megabyte # Some people consider these # units along with the kilobyte gig gigabyte # to be defined according to # powers of 2 with the kilobyte # equal to 2^10 bytes, the # megabyte equal to 2^20 bytes and # the gigabyte equal to 2^30 bytes # but these usages are forbidden # by SI. Binary prefixes have # been defined by IEC to replace # the SI prefixes. Use them to # get the binary units KiB, MiB, # GiB, etc. jiffy 0.01 sec # This is defined in the Jargon File jiffies jiffy # (http://www.jargon.org) as being the # duration of a clock tick for measuring # wall-clock time. Supposedly the value # used to be 1|60 sec or 1|50 sec # depending on the frequency of AC power, # but then 1|100 sec became more common. # On linux systems, this term is used and # for the Intel based chips, it does have # the value of .01 sec. The Jargon File # also lists two other definitions: # millisecond, and the time taken for # light to travel one foot. cdaudiospeed 44.1 kHz 2*16 bits # CD audio data rate at 44.1 kHz with 2 # samples of sixteen bits each. cdromspeed 75 2048 bytes / sec # For data CDs (mode1) 75 sectors are read # each second with 2048 bytes per sector. # Audio CDs do not have sectors, but # people sometimes divide the bit rate by # 75 and claim a sector length of 2352. # Data CDs have a lower rate due to # increased error correction overhead. # There is a rarely used mode (mode2) with # 2336 bytes per sector that has fewer # error correction bits than mode1. dvdspeed 1385 kB/s # This is the "1x" speed of a DVD using # constant linear velocity (CLV) mode. # Modern DVDs may vary the linear velocity # as they go from the inside to the # outside of the disc. # See http://www.osta.org/technology/dvdqa/dvdqa4.htm FIT / 1e9 hour # Failures In Time, number of failures per billion hours # # The IP address space is divided into subnets. The number of hosts # in a subnet depends on the length of the subnet prefix. This is # often written as /N where N is the number of bits in the prefix. # # https://en.wikipedia.org/wiki/Subnetwork # # These definitions gives the number of hosts for a subnet whose # prefix has the specified length in bits. # ipv4subnetsize(prefix_len) units=[1;1] domain=[0,32] range=[1,4294967296] \ 2^(32-prefix_len) ; 32-log2(ipv4subnetsize) ipv4classA ipv4subnetsize(8) ipv4classB ipv4subnetsize(16) ipv4classC ipv4subnetsize(24) ipv6subnetsize(prefix_len) units=[1;1] domain=[0,128] \ range=[1,340282366920938463463374607431768211456] \ 2^(128-prefix_len) ; 128-log2(ipv6subnetsize) # # Musical measures. Musical intervals expressed as ratios. Multiply # two intervals together to get the sum of the interval. The function # musicalcent can be used to convert ratios to cents. # # Perfect intervals octave 2 majorsecond musicalfifth^2 / octave majorthird 5|4 minorthird 6|5 musicalfourth 4|3 musicalfifth 3|2 majorsixth musicalfourth majorthird minorsixth musicalfourth minorthird majorseventh musicalfifth majorthird minorseventh musicalfifth minorthird pythagoreanthird majorsecond musicalfifth^2 / octave syntoniccomma pythagoreanthird / majorthird pythagoreancomma musicalfifth^12 / octave^7 # Equal tempered definitions semitone octave^(1|12) musicalcent(x) units=[1;1] range=(0,) semitone^(x/100) ; \ 100 log(musicalcent)/log(semitone) # # Musical note lengths. # wholenote ! MUSICAL_NOTE_LENGTH wholenote halfnote 1|2 wholenote quarternote 1|4 wholenote eighthnote 1|8 wholenote sixteenthnote 1|16 wholenote thirtysecondnote 1|32 wholenote sixtyfourthnote 1|64 wholenote dotted 3|2 doubledotted 7|4 breve doublewholenote semibreve wholenote minimnote halfnote crotchet quarternote quaver eighthnote semiquaver sixteenthnote demisemiquaver thirtysecondnote hemidemisemiquaver sixtyfourthnote semidemisemiquaver hemidemisemiquaver # # yarn and cloth measures # # yarn linear density woolyarnrun 1600 yard/pound # 1600 yds of "number 1 yarn" weighs # a pound. yarncut 300 yard/pound # Less common system used in # Pennsylvania for wool yarn cottonyarncount 840 yard/pound linenyarncount 300 yard/pound # Also used for hemp and ramie worstedyarncount 1680 ft/pound metricyarncount meter/gram denier 1|9 tex # used for silk and rayon manchesteryarnnumber drams/1000 yards # old system used for silk pli lb/in typp 1000 yd/lb # abbreviation for Thousand Yard Per Pound asbestoscut 100 yd/lb # used for glass and asbestos yarn tex gram / km # rational metric yarn measure, meant drex 0.1 tex # to be used for any kind of yarn poumar lb / 1e6 yard # yarn and cloth length skeincotton 80*54 inch # 80 turns of thread on a reel with a # 54 in circumference (varies for other # kinds of thread) cottonbolt 120 ft # cloth measurement woolbolt 210 ft bolt cottonbolt heer 600 yards cut 300 yards # used for wet-spun linen yarn lea 300 yards sailmakersyard 28.5 in sailmakersounce oz / sailmakersyard 36 inch silkmomme momme / 25 yards 1.49 inch # Traditional silk weight silkmm silkmomme # But it is also defined as # lb/100 yd 45 inch. The two # definitions are slightly different # and neither one seems likely to be # the true source definition. # # drug dosage # mcg microgram # Frequently used for vitamins iudiptheria 62.8 microgram # IU is for international unit iupenicillin 0.6 microgram iuinsulin 41.67 microgram drop 1|20 ml # The drop was an old "unit" that was # replaced by the minim. But I was # told by a pharmacist that in his # profession, the conversion of 20 # drops per ml is actually used. bloodunit 450 ml # For whole blood. For blood # components, a blood unit is the # quanity of the component found in a # blood unit of whole blood. The # human body contains about 12 blood # units of whole blood. # # misc medical measure # frenchcathetersize 1|3 mm # measure used for the outer diameter # of a catheter charriere frenchcathetersize # # fixup units for times when prefix handling doesn't do the job # hectare hectoare megohm megaohm kilohm kiloohm microhm microohm megalerg megaerg # 'L' added to make it pronounceable [18]. # # Money # # Note that US$ is the primitive unit so other currencies are # generally given in US$. # unitedstatesdollar US$ usdollar US$ $ dollar mark germanymark #bolivar venezuelabolivar # Not all databases are #venezuelabolivarfuerte 1e-5 bolivar # supplying these #bolivarfuerte 1e-5 bolivar # The currency was revalued #oldbolivar 1|1000 bolivarfuerte # twice peseta spainpeseta rand southafricarand escudo portugalescudo guilder netherlandsguilder hollandguilder netherlandsguilder peso mexicopeso yen japanyen lira turkeylira rupee indiarupee drachma greecedrachma franc francefranc markka finlandmarkka britainpound unitedkingdompound greatbritainpound unitedkingdompound unitedkingdompound ukpound poundsterling britainpound yuan chinayuan # Unicode Currency Names !utf8 icelandkróna icelandkrona polandzłoty polandzloty tongapa’anga tongapa'anga #venezuelabolívar venezuelabolivar vietnamđồng vietnamdong mongoliatögrög mongoliatugrik sãotomé&príncipedobra saotome&principedobra !endutf8 UKP GBP # Not an ISO code, but looks like one, and # sometimes used on usenet. !include currency.units # Money on the gold standard, used in the late 19th century and early # 20th century. olddollargold 23.22 grains goldprice # Used until 1934 newdollargold 96|7 grains goldprice # After Jan 31, 1934 dollargold newdollargold poundgold 113 grains goldprice # British pound # Precious metals goldounce goldprice troyounce silverounce silverprice troyounce platinumounce platinumprice troyounce XAU goldounce XPT platinumounce XAG silverounce # Nominal masses of US coins. Note that dimes, quarters and half dollars # have weight proportional to value. Before 1965 it was $40 / kg. USpennyweight 2.5 grams # Since 1982, 48 grains before USnickelweight 5 grams USdimeweight US$ 0.10 / (20 US$ / lb) # Since 1965 USquarterweight US$ 0.25 / (20 US$ / lb) # Since 1965 UShalfdollarweight US$ 0.50 / (20 US$ / lb) # Since 1971 USdollarweight 8.1 grams # Weight of Susan B. Anthony and # Sacagawea dollar coins # British currency quid britainpound # Slang names fiver 5 quid tenner 10 quid monkey 500 quid brgrand 1000 quid bob shilling shilling 1|20 britainpound # Before decimalisation, there oldpence 1|12 shilling # were 20 shillings to a pound, farthing 1|4 oldpence # each of twelve old pence guinea 21 shilling # Still used in horse racing crown 5 shilling florin 2 shilling groat 4 oldpence tanner 6 oldpence brpenny 0.01 britainpound pence brpenny tuppence 2 pence tuppenny tuppence ha'penny halfbrpenny hapenny ha'penny oldpenny oldpence oldtuppence 2 oldpence oldtuppenny oldtuppence threepence 3 oldpence # threepence never refers to new money threepenny threepence oldthreepence threepence oldthreepenny threepence oldhalfpenny halfoldpenny oldha'penny oldhalfpenny oldhapenny oldha'penny brpony 25 britainpound # Canadian currency loony 1 canadadollar # This coin depicts a loon toony 2 canadadollar # Cryptocurrency satoshi 1e-8 bitcoin XBT bitcoin # nonstandard code # # Units used for measuring volume of wood # cord 4*4*8 ft^3 # 4 ft by 4 ft by 8 ft bundle of wood facecord 1|2 cord cordfoot 1|8 cord # One foot long section of a cord cordfeet cordfoot housecord 1|3 cord # Used to sell firewood for residences, # often confusingly called a "cord" boardfoot ft^2 inch # Usually 1 inch thick wood boardfeet boardfoot fbm boardfoot # feet board measure stack 4 yard^3 # British, used for firewood and coal [18] rick 4 ft 8 ft 16 inches # Stack of firewood, supposedly # sometimes called a face cord, but this # value is equal to 1|3 cord. Name # comes from an old Norse word for a # stack of wood. stere m^3 timberfoot ft^3 # Used for measuring solid blocks of wood standard 120 12 ft 11 in 1.5 in # This is the St Petersburg or # Pittsburg standard. Apparently the # term is short for "standard hundred" # which was meant to refer to 100 pieces # of wood (deals). However, this # particular standard is equal to 120 # deals which are 12 ft by 11 in by 1.5 # inches (not the standard deal). hoppusfoot (4/pi) ft^3 # Volume calculation suggested in 1736 hoppusboardfoot 1|12 hoppusfoot # forestry manual by Edward Hoppus, for hoppuston 50 hoppusfoot # estimating the usable volume of a log. # It results from computing the volume # of a cylindrical log of length, L, and # girth (circumference), G, by V=L(G/4)^2. # The hoppus ton is apparently still in # use for shipments from Southeast Asia. # In Britain, the deal is apparently any piece of wood over 6 feet long, over # 7 wide and 2.5 inches thick. The OED doesn't give a standard size. A piece # of wood less than 7 inches wide is called a "batten". This unit is now used # exclusively for fir and pine. deal 12 ft 11 in 2.5 in # The standard North American deal [OED] wholedeal 12 ft 11 in 1.25 in # If it's half as thick as the standard # deal it's called a "whole deal"! splitdeal 12 ft 11 in 5|8 in # And half again as thick is a split deal. # Used for shellac mixing rate poundcut pound / gallon lbcut poundcut # # Gas and Liquid flow units # FLUID_FLOW VOLUME / TIME # Some obvious volumetric gas flow units (cu is short for cubic) cumec m^3/s cusec ft^3/s # Conventional abbreviations for fluid flow units gph gal/hr gpm gal/min mgd megagal/day brgph brgallon/hr brgpm brgallon/min brmgd mega brgallon/day usgph usgallon/hr usgpm usgallon/min usmgd mega usgallon/day cfs ft^3/s cfh ft^3/hour cfm ft^3/min lpm liter/min lfm ft/min # Used to report air flow produced by fans. # Multiply by cross sectional area to get a # flow in cfm. pru mmHg / (ml/min) # peripheral resistance unit, used in # medicine to assess blood flow in # the capillaries. # Miner's inch: This is an old historic unit used in the Western United # States. It is generally defined as the rate of flow through a one square # inch hole at a specified depth such as 4 inches. In the late 19th century, # volume of water was sometimes measured in the "24 hour inch". Values for the # miner's inch were fixed by state statues. (This information is from a web # site operated by the Nevada Division of Water Planning: The Water Words # Dictionary at http://www.state.nv.us/cnr/ndwp/dict-1/waterwds.htm.) minersinchAZ 1.5 ft^3/min minersinchCA 1.5 ft^3/min minersinchMT 1.5 ft^3/min minersinchNV 1.5 ft^3/min minersinchOR 1.5 ft^3/min minersinchID 1.2 ft^3/min minersinchKS 1.2 ft^3/min minersinchNE 1.2 ft^3/min minersinchNM 1.2 ft^3/min minersinchND 1.2 ft^3/min minersinchSD 1.2 ft^3/min minersinchUT 1.2 ft^3/min minersinchCO 1 ft^3/sec / 38.4 # 38.4 miner's inches = 1 ft^3/sec minersinchBC 1.68 ft^3/min # British Columbia # Oceanographic flow sverdrup 1e6 m^3 / sec # Used to express flow of ocean # currents. Named after Norwegian # oceanographer H. Sverdrup. # In vacuum science and some other applications, gas flow is measured # as the product of volumetric flow and pressure. This is useful # because it makes it easy to compare with the flow at standard # pressure (one atmosphere). It also directly relates to the number # of gas molecules per unit time, and hence to the mass flow if the # molecular mass is known. GAS_FLOW PRESSURE FLUID_FLOW sccm atm cc/min # 's' is for "standard" to indicate sccs atm cc/sec # flow at standard pressure scfh atm ft^3/hour # scfm atm ft^3/min slpm atm liter/min slph atm liter/hour lusec liter micron Hg / s # Used in vacuum science # US Standard Atmosphere (1976) # Atmospheric temperature and pressure vs. geometric height above sea level # This definition covers only the troposphere (the lowest atmospheric # layer, up to 11 km), and assumes the layer is polytropic. # A polytropic process is one for which PV^k = const, where P is the # pressure, V is the volume, and k is the polytropic exponent. The # polytropic index is n = 1 / (k - 1). As noted in the Wikipedia article # https://en.wikipedia.org/wiki/Polytropic_process, some authors reverse # the definitions of "exponent" and "index." The functions below assume # the following parameters: # temperature lapse rate, -dT/dz, in troposphere lapserate 6.5 K/km # US Std Atm (1976) # air molecular weight, including constituent mol wt, given # in Table 3, p. 3 air_1976 78.084 % 28.0134 \ + 20.9476 % 31.9988 \ + 9340 ppm 39.948 \ + 314 ppm 44.00995 \ + 18.18 ppm 20.183 \ + 5.24 ppm 4.0026 \ + 2 ppm 16.04303 \ + 1.14 ppm 83.80 \ + 0.55 ppm 2.01594 \ + 0.087 ppm 131.30 # universal gas constant R_1976 8.31432e3 N m/(kmol K) # polytropic index n polyndx_1976 air_1976 (kg/kmol) gravity/(R_1976 lapserate) - 1 # If desired, redefine using current values for air mol wt and R polyndx polyndx_1976 # polyndx air (kg/kmol) gravity/(R lapserate) - 1 # for comparison with various references polyexpnt (polyndx + 1) / polyndx # The model assumes the following reference values: # sea-level temperature and pressure stdatmT0 288.15 K stdatmP0 atm # "effective radius" for relation of geometric to geopotential height, # at a latitude at which g = 9.80665 m/s (approximately 45.543 deg); no # relation to actual radius earthradUSAtm 6356766 m # Temperature vs. geopotential height h # Assumes 15 degC at sea level # Based on approx 45 deg latitude # Lower limits of domain and upper limits of range are those of the # tables in US Standard Atmosphere (NASA 1976) stdatmTH(h) units=[m;K] domain=[-5000,11e3] range=[217,321] \ stdatmT0+(-lapserate h) ; (stdatmT0+(-stdatmTH))/lapserate # Temperature vs. geometric height z; based on approx 45 deg latitude stdatmT(z) units=[m;K] domain=[-5000,11e3] range=[217,321] \ stdatmTH(geop_ht(z)) ; ~geop_ht(~stdatmTH(stdatmT)) # Pressure vs. geopotential height h # Assumes 15 degC and 101325 Pa at sea level # Based on approx 45 deg latitude # Lower limits of domain and upper limits of range are those of the # tables in US Standard Atmosphere (NASA 1976) stdatmPH(h) units=[m;Pa] domain=[-5000,11e3] range=[22877,177764] \ atm (1 - (lapserate/stdatmT0) h)^(polyndx + 1) ; \ (stdatmT0/lapserate) (1+(-(stdatmPH/stdatmP0)^(1/(polyndx + 1)))) # Pressure vs. geometric height z; based on approx 45 deg latitude stdatmP(z) units=[m;Pa] domain=[-5000,11e3] range=[22877,177764] \ stdatmPH(geop_ht(z)); ~geop_ht(~stdatmPH(stdatmP)) # Geopotential height from geometric height # Based on approx 45 deg latitude # Lower limits of domain and range are somewhat arbitrary; they # correspond to the limits in the US Std Atm tables geop_ht(z) units=[m;m] domain=[-5000,) range=[-5004,) \ (earthradUSAtm z) / (earthradUSAtm + z) ; \ (earthradUSAtm geop_ht) / (earthradUSAtm + (-geop_ht)) # The standard value for the sea-level acceleration due to gravity is # 9.80665 m/s^2, but the actual value varies with latitude (Harrison 1949) # R_eff = 2 g_phi / denom # g_phi = 978.0356e-2 (1+0.0052885 sin(lat)^2+(-0.0000059) sin(2 lat)^2) # or # g_phi = 980.6160e-2 (1+(-0.0026373) cos(2 lat)+0.0000059 cos(2 lat)^2) # denom = 3.085462e-6+2.27e-9 cos(2 lat)+(-2e-12) cos(4 lat) (minutes?) # There is no inverse function; the standard value applies at a latitude # of about 45.543 deg g_phi(lat) units=[deg;m/s2] domain=[0,90] noerror \ 980.6160e-2 (1+(-0.0026373) cos(2 lat)+0.0000059 cos(2 lat)^2) m/s2 # effective Earth radius for relation of geometric height to # geopotential height, as function of latitude (Harrison 1949) earthradius_eff(lat) units=[deg;m] domain=[0,90] noerror \ m 2 9.780356 (1+0.0052885 sin(lat)^2+(-0.0000059) sin(2 lat)^2) / \ (3.085462e-6 + 2.27e-9 cos(2 lat) + (-2e-12) cos(4 lat)) # References # Harrison, L.P. 1949. Relation Between Geopotential and Geometric # Height. In Smithsonian Meteorological Tables. List, Robert J., ed. # 6th ed., 4th reprint, 1968. Washington, DC: Smithsonian Institution. # NASA. US National Aeronautics and Space Administration. 1976. # US Standard Atmosphere 1976. Washington, DC: US Government Printing Office. # Gauge pressure functions # # Gauge pressure is measured relative to atmospheric pressure. In the English # system, where pressure is often given in pounds per square inch, gauge # pressure is often indicated by 'psig' to distinguish it from absolute # pressure, often indicated by 'psia'. At the standard atmospheric pressure # of 14.696 psia, a gauge pressure of 0 psig is an absolute pressure of 14.696 # psia; an automobile tire inflated to 31 psig has an absolute pressure of # 45.696 psia. # # With gaugepressure(), the units must be specified (e.g., gaugepressure(1.5 # bar)); with psig(), the units are taken as psi, so the example above of tire # pressure could be given as psig(31). # # If the normal elevation is significantly different from sea level, change # Patm appropriately, and adjust the lower domain limit on the gaugepressure # definition. Patm atm gaugepressure(x) units=[Pa;Pa] domain=[-101325,) range=[0,) \ x + Patm ; gaugepressure+(-Patm) psig(x) units=[1;Pa] domain=[-14.6959487755135,) range=[0,) \ gaugepressure(x psi) ; ~gaugepressure(psig) / psi # Pressure for underwater diving seawater 0.1 bar / meter msw meter seawater fsw foot seawater # # Wire Gauge # # This area is a nightmare with huge charts of wire gauge diameters # that usually have no clear origin. There are at least 5 competing wire gauge # systems to add to the confusion. The use of wire gauge is related to the # manufacturing method: a metal rod is heated and drawn through a hole. The # size change can't be too big. To get smaller wires, the process is repeated # with a series of smaller holes. Generally larger gauges mean smaller wires. # The gauges often have values such as "00" and "000" which are larger sizes # than simply "0" gauge. In the tables that appear below, these gauges must be # specified as negative numbers (e.g. "00" is -1, "000" is -2, etc). # Alternatively, you can use the following units: # g00 (-1) g000 (-2) g0000 (-3) g00000 (-4) g000000 (-5) g0000000 (-6) # American Wire Gauge (AWG) or Brown & Sharpe Gauge appears to be the most # important gauge. ASTM B-258 specifies that this gauge is based on geometric # interpolation between gauge 0000, which is 0.46 inches exactly, and gauge 36 # which is 0.005 inches exactly. Therefore, the diameter in inches of a wire # is given by the formula 1|200 92^((36-g)/39). Note that 92^(1/39) is close # to 2^(1/6), so diameter is approximately halved for every 6 gauges. For the # repeated zero values, use negative numbers in the formula. The same document # also specifies rounding rules which seem to be ignored by makers of tables. # Gauges up to 44 are to be specified with up to 4 significant figures, but no # closer than 0.0001 inch. Gauges from 44 to 56 are to be rounded to the # nearest 0.00001 inch. # # In addition to being used to measure wire thickness, this gauge is used to # measure the thickness of sheets of aluminum, copper, and most metals other # than steel, iron and zinc. wiregauge(g) units=[1;m] range=(0,) \ 1|200 92^((36+(-g))/39) in; 36+(-39)ln(200 wiregauge/in)/ln(92) awg() wiregauge # Next we have the SWG, the Imperial or British Standard Wire Gauge. This one # is piecewise linear. It was used for aluminum sheets. brwiregauge[in] \ -6 0.5 \ -5 0.464 \ -3 0.4 \ -2 0.372 \ 3 0.252 \ 6 0.192 \ 10 0.128 \ 14 0.08 \ 19 0.04 \ 23 0.024 \ 26 0.018 \ 28 0.0148 \ 30 0.0124 \ 39 0.0052 \ 49 0.0012 \ 50 0.001 # The following is from the Appendix to ASTM B 258 # # For example, in U.S. gage, the standard for sheet metal is based on the # weight of the metal, not on the thickness. 16-gage is listed as # approximately .0625 inch thick and 40 ounces per square foot (the original # standard was based on wrought iron at .2778 pounds per cubic inch; steel # has almost entirely superseded wrought iron for sheet use, at .2833 pounds # per cubic inch). Smaller numbers refer to greater thickness. There is no # formula for converting gage to thickness or weight. # # It's rather unclear from the passage above whether the plate gauge values are # therefore wrong if steel is being used. Reference [15] states that steel is # in fact measured using this gauge (under the name Manufacturers' Standard # Gauge) with a density of 501.84 lb/ft3 = 0.2904 lb/in3 used for steel. # But this doesn't seem to be the correct density of steel (.2833 lb/in3 is # closer). # # This gauge was established in 1893 for purposes of taxation. # Old plate gauge for iron plategauge[(oz/ft^2)/(480*lb/ft^3)] \ -5 300 \ 1 180 \ 14 50 \ 16 40 \ 17 36 \ 20 24 \ 26 12 \ 31 7 \ 36 4.5 \ 38 4 # Manufacturers Standard Gage stdgauge[(oz/ft^2)/(501.84*lb/ft^3)] \ -5 300 \ 1 180 \ 14 50 \ 16 40 \ 17 36 \ 20 24 \ 26 12 \ 31 7 \ 36 4.5 \ 38 4 # A special gauge is used for zinc sheet metal. Notice that larger gauges # indicate thicker sheets. zincgauge[in] \ 1 0.002 \ 10 0.02 \ 15 0.04 \ 19 0.06 \ 23 0.1 \ 24 0.125 \ 27 0.5 \ 28 1 # # Imperial drill bit sizes are reported in inches or in a numerical or # letter gauge. # drillgauge[in] \ 1 0.2280 \ 2 0.2210 \ 3 0.2130 \ 4 0.2090 \ 5 0.2055 \ 6 0.2040 \ 7 0.2010 \ 8 0.1990 \ 9 0.1960 \ 10 0.1935 \ 11 0.1910 \ 12 0.1890 \ 13 0.1850 \ 14 0.1820 \ 15 0.1800 \ 16 0.1770 \ 17 0.1730 \ 18 0.1695 \ 19 0.1660 \ 20 0.1610 \ 22 0.1570 \ 23 0.1540 \ 24 0.1520 \ 25 0.1495 \ 26 0.1470 \ 27 0.1440 \ 28 0.1405 \ 29 0.1360 \ 30 0.1285 \ 31 0.1200 \ 32 0.1160 \ 33 0.1130 \ 34 0.1110 \ 35 0.1100 \ 36 0.1065 \ 38 0.1015 \ 39 0.0995 \ 40 0.0980 \ 41 0.0960 \ 42 0.0935 \ 43 0.0890 \ 44 0.0860 \ 45 0.0820 \ 46 0.0810 \ 48 0.0760 \ 51 0.0670 \ 52 0.0635 \ 53 0.0595 \ 54 0.0550 \ 55 0.0520 \ 56 0.0465 \ 57 0.0430 \ 65 0.0350 \ 66 0.0330 \ 68 0.0310 \ 69 0.0292 \ 70 0.0280 \ 71 0.0260 \ 73 0.0240 \ 74 0.0225 \ 75 0.0210 \ 76 0.0200 \ 78 0.0160 \ 79 0.0145 \ 80 0.0135 \ 88 0.0095 \ 104 0.0031 drillA 0.234 in drillB 0.238 in drillC 0.242 in drillD 0.246 in drillE 0.250 in drillF 0.257 in drillG 0.261 in drillH 0.266 in drillI 0.272 in drillJ 0.277 in drillK 0.281 in drillL 0.290 in drillM 0.295 in drillN 0.302 in drillO 0.316 in drillP 0.323 in drillQ 0.332 in drillR 0.339 in drillS 0.348 in drillT 0.358 in drillU 0.368 in drillV 0.377 in drillW 0.386 in drillX 0.397 in drillY 0.404 in drillZ 0.413 in # # Screw sizes # # In the USA, screw diameters for both wood screws and machine screws # are reported using a gauge number. Metric machine screws are # reported as Mxx where xx is the diameter in mm. # screwgauge(g) units=[1;m] range=[0,) \ (.06 + .013 g) in ; (screwgauge/in + (-.06)) / .013 # # Abrasive grit size # # Standards governing abrasive grit sizes are complicated, specifying # fractions of particles that are passed or retained by different mesh # sizes. As a result, it is not possible to make precise comparisons # of different grit standards. The tables below allow the # determination of rough equivlants by using median particle size. # # Standards in the USA are determined by the Unified Abrasives # Manufacturers' Association (UAMA), which resulted from the merger of # several previous organizations. One of the old organizations was # CAMI (Coated Abrasives Manufacturers' Institute). # # UAMA has a web page with plots showing abrasive particle ranges for # various different grits and comparisons between standards. # # http://www.uama.org/Abrasives101/101Standards.html # # Abrasives are grouped into "bonded" abrasives for use with grinding # wheels and "coated" abrasives for sandpapers and abrasive films. # The industry uses different grit standards for these two # categories. # # Another division is between "macrogrits", grits below 240 and # "microgrits", which are above 240. Standards differ, as do methods # for determining particle size. In the USA, ANSI B74.12 is the # standard governing macrogrits. ANSI B74.10 covers bonded microgrit # abrasives, and ANSI B74.18 covers coated microgrit abrasives. It # appears that the coated standard is identical to the bonded standard # for grits up through 600 but then diverges significantly. # # European grit sizes are determined by the Federation of European # Producers of Abrasives. http://www.fepa-abrasives.org # # They give two standards, the "F" grit for bonded abrasives and the # "P" grit for coated abrasives. This data is taken directly from # their web page. # FEPA P grit for coated abrasives is commonly seen on sandpaper in # the USA where the paper will be marked P600, for example. FEPA P # grits are said to be more tightly constrained than comparable ANSI # grits so that the particles are more uniform in size and hence give # a better finish. grit_P[micron] \ 12 1815 \ 16 1324 \ 20 1000 \ 24 764 \ 30 642 \ 36 538 \ 40 425 \ 50 336 \ 60 269 \ 80 201 \ 100 162 \ 120 125 \ 150 100 \ 180 82 \ 220 68 \ 240 58.5 \ 280 52.2 \ 320 46.2 \ 360 40.5 \ 400 35 \ 500 30.2 \ 600 25.8 \ 800 21.8 \ 1000 18.3 \ 1200 15.3 \ 1500 12.6 \ 2000 10.3 \ 2500 8.4 # The F grit is the European standard for bonded abrasives such as # grinding wheels grit_F[micron] \ 4 4890 \ 5 4125 \ 6 3460 \ 7 2900 \ 8 2460 \ 10 2085 \ 12 1765 \ 14 1470 \ 16 1230 \ 20 1040 \ 22 885 \ 24 745 \ 30 625 \ 36 525 \ 40 438 \ 46 370 \ 54 310 \ 60 260 \ 70 218 \ 80 185 \ 90 154 \ 100 129 \ 120 109 \ 150 82 \ 180 69 \ 220 58 \ 230 53 \ 240 44.5 \ 280 36.5 \ 320 29.2 \ 360 22.8 \ 400 17.3 \ 500 12.8 \ 600 9.3 \ 800 6.5 \ 1000 4.5 \ 1200 3 \ 1500 2.0 \ 2000 1.2 # According to the UAMA web page, the ANSI bonded and ANSI coated standards # are identical to FEPA F in the macrogrit range (under 240 grit), so these # values are taken from the FEPA F table. The values for 240 and above are # from the UAMA web site and represent the average of the "d50" range # endpoints listed there. ansibonded[micron] \ 4 4890 \ 5 4125 \ 6 3460 \ 7 2900 \ 8 2460 \ 10 2085 \ 12 1765 \ 14 1470 \ 16 1230 \ 20 1040 \ 22 885 \ 24 745 \ 30 625 \ 36 525 \ 40 438 \ 46 370 \ 54 310 \ 60 260 \ 70 218 \ 80 185 \ 90 154 \ 100 129 \ 120 109 \ 150 82 \ 180 69 \ 220 58 \ 240 50 \ 280 39.5 \ 320 29.5 \ 360 23 \ 400 18.25 \ 500 13.9 \ 600 10.55 \ 800 7.65 \ 1000 5.8 \ 1200 3.8 grit_ansibonded() ansibonded # Like the bonded grit, the coated macrogrits below 240 are taken from the # FEPA F table. Data above this is from the UAMA site. Note that the coated # and bonded standards are evidently the same from 240 up to 600 grit, but # starting at 800 grit, the coated standard diverges. The data from UAMA show # that 800 grit coated has an average size slightly larger than the average # size of 600 grit coated/bonded. However, the 800 grit has a significantly # smaller particle size variation. # # Because of this non-monotonicity from 600 grit to 800 grit this definition # produces a warning about the lack of a unique inverse. ansicoated[micron] noerror \ 4 4890 \ 5 4125 \ 6 3460 \ 7 2900 \ 8 2460 \ 10 2085 \ 12 1765 \ 14 1470 \ 16 1230 \ 20 1040 \ 22 885 \ 24 745 \ 30 625 \ 36 525 \ 40 438 \ 46 370 \ 54 310 \ 60 260 \ 70 218 \ 80 185 \ 90 154 \ 100 129 \ 120 109 \ 150 82 \ 180 69 \ 220 58 \ 240 50 \ 280 39.5 \ 320 29.5 \ 360 23 \ 400 18.25 \ 500 13.9 \ 600 10.55 \ 800 11.5 \ 1000 9.5 \ 2000 7.2 \ 2500 5.5 \ 3000 4 \ 4000 3 \ 6000 2 \ 8000 1.2 grit_ansicoated() ansicoated # # Is this correct? This is the JIS Japanese standard used on waterstones # jisgrit[micron] \ 150 75 \ 180 63 \ 220 53 \ 280 48 \ 320 40 \ 360 35 \ 400 30 \ 600 20 \ 700 17 \ 800 14 \ 1000 11.5 \ 1200 9.5 \ 1500 8 \ 2000 6.7 \ 2500 5.5 \ 3000 4 \ 4000 3 \ 6000 2 \ 8000 1.2 # The "Finishing Scale" marked with an A (e.g. A75). This information # is from the web page of the sand paper manufacturer Klingspor # http://www.klingspor.com/gritgradingsystems.htm # # I have no information about what this scale is used for. grit_A[micron]\ 16 15.3 \ 25 21.8 \ 30 23.6 \ 35 25.75 \ 45 35 \ 60 46.2 \ 65 53.5 \ 75 58.5 \ 90 65 \ 110 78 \ 130 93 \ 160 127 \ 200 156 # # Grits for DMT brand diamond sharpening stones from # http://dmtsharp.com/products/colorcode.htm # dmtxxcoarse 120 micron # 120 mesh dmtsilver dmtxxcoarse dmtxx dmtxxcoarse dmtxcoarse 60 micron # 220 mesh dmtx dmtxcoarse dmtblack dmtxcoarse dmtcoarse 45 micron # 325 mesh dmtc dmtcoarse dmtblue dmtcoarse dmtfine 25 micron # 600 mesh dmtred dmtfine dmtf dmtfine dmtefine 9 micron # 1200 mesh dmte dmtefine dmtgreen dmtefine dmtceramic 7 micron # 2200 mesh dmtcer dmtceramic dmtwhite dmtceramic dmteefine 3 micron # 8000 mesh dmttan dmteefine dmtee dmteefine # # The following values come from a page in the Norton Stones catalog, # available at their web page, http://www.nortonstones.com. # hardtranslucentarkansas 6 micron # Natural novaculite (silicon quartz) softarkansas 22 micron # stones extrafineindia 22 micron # India stones are Norton's manufactured fineindia 35 micron # aluminum oxide product mediumindia 53.5 micron coarseindia 97 micron finecrystolon 45 micron # Crystolon stones are Norton's mediumcrystalon 78 micron # manufactured silicon carbide product coarsecrystalon 127 micron # The following are not from the Norton catalog hardblackarkansas 6 micron hardwhitearkansas 11 micron washita 35 micron # # Mesh systems for measuring particle sizes by sifting through a wire # mesh or sieve # # The Tyler system and US Sieve system are based on four steps for # each factor of 2 change in the size, so each size is 2^1|4 different # from the adjacent sizes. Unfortunately, the mesh numbers are # arbitrary, so the sizes cannot be expressed with a functional form. # Various references round the values differently. The mesh numbers # are supposed to correspond to the number of holes per inch, but this # correspondence is only approximate because it doesn't include the # wire size of the mesh. # The Tyler Mesh system was apparently introduced by the WS Tyler # company, but it appears that they no longer use it. They follow the # ASTM E11 standard. meshtyler[micron] \ 2.5 8000 \ 3 6727 \ 3.5 5657 \ 4 4757 \ 5 4000 \ 6 3364 \ 7 2828 \ 8 2378 \ 9 2000 \ 10 1682 \ 12 1414 \ 14 1189 \ 16 1000 \ 20 841 \ 24 707 \ 28 595 \ 32 500 \ 35 420 \ 42 354 \ 48 297 \ 60 250 \ 65 210 \ 80 177 \ 100 149 \ 115 125 \ 150 105 \ 170 88 \ 200 74 \ 250 63 \ 270 53 \ 325 44 \ 400 37 # US Sieve size, ASTM E11 # # The WS Tyler company prints the list from ASTM E11 in their catalog, # http://wstyler.com/wp-content/uploads/2015/11/Product-Catalog-2.pdf sieve[micron] \ 3.5 5600 \ 4 4750 \ 5 4000 \ 6 3350 \ 7 2800 \ 8 2360 \ 10 2000 \ 12 1700 \ 14 1400 \ 16 1180 \ 18 1000 \ 20 850 \ 25 710 \ 30 600 \ 35 500 \ 40 425 \ 45 355 \ 50 300 \ 60 250 \ 70 212 \ 80 180 \ 100 150 \ 120 125 \ 140 106 \ 170 90 \ 200 75 \ 230 63 \ 270 53 \ 325 45 \ 400 38 \ 450 32 \ 500 25 \ 625 20 # These last two values are not in the standard series # but were included in the ASTM standard because they meshUS() sieve # were in common usage. # British Mesh size, BS 410: 1986 # This system appears to correspond to the Tyler and US system, but # with different mesh numbers. # # http://www.panadyne.com/technical/panadyne_international_sieve_chart.pdf # meshbritish[micron] \ 3 5657 \ 3.5 4757 \ 4 4000 \ 5 3364 \ 6 2828 \ 7 2378 \ 8 2000 \ 10 1682 \ 12 1414 \ 14 1189 \ 16 1000 \ 18 841 \ 22 707 \ 25 595 \ 30 500 \ 36 420 \ 44 354 \ 52 297 \ 60 250 \ 72 210 \ 85 177 \ 100 149 \ 120 125 \ 150 105 \ 170 88 \ 200 74 \ 240 63 \ 300 53 \ 350 44 \ 400 37 # French system, AFNOR NFX11-501: 1970 # The system appears to be based on size doubling every 3 mesh # numbers, though the values have been agressively rounded. # It's not clear if the unrounded values would be considered # incorrect, so this is given as a table rather than a function. # Functional form: # meshtamis(mesh) units=[1;m] 5000 2^(1|3 (mesh-38)) micron # # http://www.panadyne.com/technical/panadyne_international_sieve_chart.pdf meshtamis[micron] \ 17 40 \ 18 50 \ 19 63 \ 20 80 \ 21 100 \ 22 125 \ 23 160 \ 24 200 \ 25 250 \ 26 315 \ 27 400 \ 28 500 \ 29 630 \ 30 800 \ 31 1000 \ 32 1250 \ 33 1600 \ 34 2000 \ 35 2500 \ 36 3150 \ 37 4000 \ 38 5000 # # Ring size. All ring sizes are given as the circumference of the ring. # # USA ring sizes. Several slightly different definitions seem to be in # circulation. According to [15], the interior diameter of size n ring in # inches is 0.32 n + 0.458 for n ranging from 3 to 13.5 by steps of 0.5. The # size 2 ring is inconsistently 0.538in and no 2.5 size is listed. # # However, other sources list 0.455 + 0.0326 n and 0.4525 + 0.0324 n as the # diameter and list no special case for size 2. (Or alternatively they are # 1.43 + .102 n and 1.4216+.1018 n for measuring circumference in inches.) One # reference claimed that the original system was that each size was 1|10 inch # circumference, but that source doesn't have an explanation for the modern # system which is somewhat different. ringsize(n) units=[1;in] domain=[2,) range=[1.6252,) \ (1.4216+.1018 n) in ; (ringsize/in + (-1.4216))/.1018 # Old practice in the UK measured rings using the "Wheatsheaf gauge" with sizes # specified alphabetically and based on the ring inside diameter in steps of # 1|64 inch. This system was replaced in 1987 by British Standard 6820 which # specifies sizes based on circumference. Each size is 1.25 mm different from # the preceding size. The baseline is size C which is 40 mm circumference. # The new sizes are close to the old ones. Sometimes it's necessary to go # beyond size Z to Z+1, Z+2, etc. sizeAring 37.50 mm sizeBring 38.75 mm sizeCring 40.00 mm sizeDring 41.25 mm sizeEring 42.50 mm sizeFring 43.75 mm sizeGring 45.00 mm sizeHring 46.25 mm sizeIring 47.50 mm sizeJring 48.75 mm sizeKring 50.00 mm sizeLring 51.25 mm sizeMring 52.50 mm sizeNring 53.75 mm sizeOring 55.00 mm sizePring 56.25 mm sizeQring 57.50 mm sizeRring 58.75 mm sizeSring 60.00 mm sizeTring 61.25 mm sizeUring 62.50 mm sizeVring 63.75 mm sizeWring 65.00 mm sizeXring 66.25 mm sizeYring 67.50 mm sizeZring 68.75 mm # Japanese sizes start with size 1 at a 13mm inside diameter and each size is # 1|3 mm larger in diameter than the previous one. They are multiplied by pi # to give circumference. jpringsize(n) units=[1;mm] domain=[1,) range=[0.040840704,) \ (38|3 + n/3) pi mm ; 3 jpringsize/ pi mm + (-38) # The European ring sizes are the length of the circumference in mm minus 40. euringsize(n) units=[1;mm] (n+40) mm ; euringsize/mm + (-40) # # Abbreviations # mph mile/hr brmpg mile/brgallon usmpg mile/usgallon mpg mile/gal kph km/hr fL footlambert fpm ft/min fps ft/s rpm rev/min rps rev/sec mi mile smi mile nmi nauticalmile mbh 1e3 btu/hour mcm 1e3 circularmil ipy inch/year # used for corrosion rates ccf 100 ft^3 # used for selling water [18] Mcf 1000 ft^3 # not million cubic feet [18] kp kilopond kpm kp meter Wh W hour hph hp hour plf lb / foot # pounds per linear foot # # Compatibility units with Unix version # pa Pa ev eV hg Hg oe Oe mh mH rd rod pf pF gr grain nt N hz Hz hd hogshead dry drygallon/gallon nmile nauticalmile beV GeV bev beV coul C # # Radioactivity units # becquerel /s # Activity of radioactive source Bq becquerel # curie 3.7e10 Bq # Defined in 1910 as the radioactivity Ci curie # emitted by the amount of radon that is # in equilibrium with 1 gram of radium. rutherford 1e6 Bq # RADIATION_DOSE gray gray J/kg # Absorbed dose of radiation Gy gray # rad 1e-2 Gy # From Radiation Absorbed Dose rep 8.38 mGy # Roentgen Equivalent Physical, the amount # of radiation which , absorbed in the # body, would liberate the same amount # of energy as 1 roentgen of X rays # would, or 97 ergs. sievert J/kg # Dose equivalent: dosage that has the Sv sievert # same effect on human tissues as 200 rem 1e-2 Sv # keV X-rays. Different types of # radiation are weighted by the # Relative Biological Effectiveness # (RBE). # # Radiation type RBE # X-ray, gamma ray 1 # beta rays, > 1 MeV 1 # beta rays, < 1 MeV 1.08 # neutrons, < 1 MeV 4-5 # neutrons, 1-10 MeV 10 # protons, 1 MeV 8.5 # protons, .1 MeV 10 # alpha, 5 MeV 15 # alpha, 1 MeV 20 # # The energies are the kinetic energy # of the particles. Slower particles # interact more, so they are more # effective ionizers, and hence have # higher RBE values. # # rem stands for Roentgen Equivalent # Mammal banana_dose 0.1e-6 sievert # Informal measure of the dose due to # eating one average sized banana roentgen 2.58e-4 C / kg # Ionizing radiation that produces # 1 statcoulomb of charge in 1 cc of # dry air at stp. rontgen roentgen # Sometimes it appears spelled this way sievertunit 8.38 rontgen # Unit of gamma ray dose delivered in one # hour at a distance of 1 cm from a # point source of 1 mg of radium # enclosed in platinum .5 mm thick. eman 1e-7 Ci/m^3 # radioactive concentration mache 3.7e-7 Ci/m^3 # # Atomic weights. The atomic weight of an element is the ratio of the mass of # a mole of the element to 1|12 of a mole of Carbon 12. The Standard Atomic # Weights apply to the elements as they occur naturally on Earth. Elements # which do not occur naturally or which occur with wide isotopic variability do # not have Standard Atomic Weights. For these elements, the atomic weight is # based on the longest lived isotope, as marked in the comments. In some # cases, the comment for these entries also gives a number which is an atomic # weight for a different isotope that may be of more interest than the longest # lived isotope. # actinium 227.0278 aluminum 26.981539 americium 243.0614 # Longest lived. 241.06 antimony 121.760 argon 39.948 arsenic 74.92159 astatine 209.9871 # Longest lived barium 137.327 berkelium 247.0703 # Longest lived. 249.08 beryllium 9.012182 bismuth 208.98037 boron 10.811 bromine 79.904 cadmium 112.411 calcium 40.078 californium 251.0796 # Longest lived. 252.08 carbon 12.011 cerium 140.115 cesium 132.90543 chlorine 35.4527 chromium 51.9961 cobalt 58.93320 copper 63.546 curium 247.0703 deuterium 2.0141017778 dysprosium 162.50 einsteinium 252.083 # Longest lived erbium 167.26 europium 151.965 fermium 257.0951 # Longest lived fluorine 18.9984032 francium 223.0197 # Longest lived gadolinium 157.25 gallium 69.723 germanium 72.61 gold 196.96654 hafnium 178.49 helium 4.002602 holmium 164.93032 hydrogen 1.00794 indium 114.818 iodine 126.90447 iridium 192.217 iron 55.845 krypton 83.80 lanthanum 138.9055 lawrencium 262.11 # Longest lived lead 207.2 lithium 6.941 lutetium 174.967 magnesium 24.3050 manganese 54.93805 mendelevium 258.10 # Longest lived mercury 200.59 molybdenum 95.94 neodymium 144.24 neon 20.1797 neptunium 237.0482 nickel 58.6934 niobium 92.90638 nitrogen 14.00674 nobelium 259.1009 # Longest lived osmium 190.23 oxygen 15.9994 palladium 106.42 phosphorus 30.973762 platinum 195.08 plutonium 244.0642 # Longest lived. 239.05 polonium 208.9824 # Longest lived. 209.98 potassium 39.0983 praseodymium 140.90765 promethium 144.9127 # Longest lived. 146.92 protactinium 231.03588 radium 226.0254 radon 222.0176 # Longest lived rhenium 186.207 rhodium 102.90550 rubidium 85.4678 ruthenium 101.07 samarium 150.36 scandium 44.955910 selenium 78.96 silicon 28.0855 silver 107.8682 sodium 22.989768 strontium 87.62 sulfur 32.066 tantalum 180.9479 technetium 97.9072 # Longest lived. 98.906 tellurium 127.60 terbium 158.92534 thallium 204.3833 thorium 232.0381 thullium 168.93421 tin 118.710 titanium 47.867 tungsten 183.84 uranium 238.0289 vanadium 50.9415 xenon 131.29 ytterbium 173.04 yttrium 88.90585 zinc 65.39 zirconium 91.224 # Average molecular weight of air # # The atmospheric composition listed is from NASA Earth Fact Sheet (accessed # 28 August 2015) # http://nssdc.gsfc.nasa.gov/planetary/factsheet/earthfact.html # Numbers do not add up to exactly 100% due to roundoff and uncertainty Water # is highly variable, typically makes up about 1% air 78.08% nitrogen 2 \ + 20.95% oxygen 2 \ + 9340 ppm argon \ + 400 ppm (carbon + oxygen 2) \ + 18.18 ppm neon \ + 5.24 ppm helium \ + 1.7 ppm (carbon + 4 hydrogen) \ + 1.14 ppm krypton \ + 0.55 ppm hydrogen 2 # Density of the elements # # Note some elements occur in multiple forms (allotropes) with different # densities, and they are accordingly listed multiple times. # Density of gas phase elements at STP hydrogendensity 0.08988 g/l heliumdensity 0.1786 g/l neondensity 0.9002 g/l nitrogendensity 1.2506 g/l oxygendensity 1.429 g/l fluorinedensity 1.696 g/l argondensity 1.784 g/l chlorinedensity 3.2 g/l kryptondensity 3.749 g/l xenondensity 5.894 g/l radondensity 9.73 g/l # Density of liquid phase elements near room temperature brominedensity 3.1028 g/cm^3 mercurydensity 13.534 g/cm^3 # Density of solid elements near room temperature lithiumdensity 0.534 g/cm^3 potassiumdensity 0.862 g/cm^3 sodiumdensity 0.968 g/cm^3 rubidiumdensity 1.532 g/cm^3 calciumdensity 1.55 g/cm^3 magnesiumdensity 1.738 g/cm^3 phosphorus_white_density 1.823 g/cm^3 berylliumdensity 1.85 g/cm^3 sulfur_gamma_density 1.92 g/cm^3 cesiumdensity 1.93 g/cm^3 carbon_amorphous_density 1.95 g/cm^3 # average value sulfur_betadensity 1.96 g/cm^3 sulfur_alpha_density 2.07 g/cm^3 carbon_graphite_density 2.267 g/cm^3 phosphorus_red_density 2.27 g/cm^3 # average value silicondensity 2.3290 g/cm^3 phosphorus_violet_density 2.36 g/cm^3 borondensity 2.37 g/cm^3 strontiumdensity 2.64 g/cm^3 phosphorus_black_density 2.69 g/cm^3 aluminumdensity 2.7 g/cm^3 bariumdensity 3.51 g/cm^3 carbon_diamond_density 3.515 g/cm^3 scandiumdensity 3.985 g/cm^3 selenium_vitreous_density 4.28 g/cm^3 selenium_alpha_density 4.39 g/cm^3 titaniumdensity 4.406 g/cm^3 yttriumdensity 4.472 g/cm^3 selenium_gray_density 4.81 g/cm^3 iodinedensity 4.933 g/cm^3 europiumdensity 5.264 g/cm^3 germaniumdensity 5.323 g/cm^3 radiumdensity 5.5 g/cm^3 arsenicdensity 5.727 g/cm^3 tin_alpha_density 5.769 g/cm^3 galliumdensity 5.91 g/cm^3 vanadiumdensity 6.11 g/cm^3 lanthanumdensity 6.162 g/cm^3 telluriumdensity 6.24 g/cm^3 zirconiumdensity 6.52 g/cm^3 antimonydensity 6.697 g/cm^3 ceriumdensity 6.77 g/cm^3 praseodymiumdensity 6.77 g/cm^3 ytterbiumdensity 6.9 g/cm^3 neodymiumdensity 7.01 g/cm^3 zincdensity 7.14 g/cm^3 chromiumdensity 7.19 g/cm^3 manganesedensity 7.21 g/cm^3 promethiumdensity 7.26 g/cm^3 tin_beta_density 7.265 g/cm^3 indiumdensity 7.31 g/cm^3 samariumdensity 7.52 g/cm^3 irondensity 7.874 g/cm^3 gadoliniumdensity 7.9 g/cm^3 terbiumdensity 8.23 g/cm^3 dysprosiumdensity 8.54 g/cm^3 niobiumdensity 8.57 g/cm^3 cadmiumdensity 8.65 g/cm^3 holmiumdensity 8.79 g/cm^3 cobaltdensity 8.9 g/cm^3 nickeldensity 8.908 g/cm^3 erbiumdensity 9.066 g/cm^3 polonium_alpha_density 9.196 g/cm^3 thuliumdensity 9.32 g/cm^3 polonium_beta_density 9.398 g/cm^3 bismuthdensity 9.78 g/cm^3 lutetiumdensity 9.841 g/cm^3 actiniumdensity 10 g/cm^3 molybdenumdensity 10.28 g/cm^3 silverdensity 10.49 g/cm^3 technetiumdensity 11 g/cm^3 leaddensity 11.34 g/cm^3 thoriumdensity 11.7 g/cm^3 thalliumdensity 11.85 g/cm^3 americiumdensity 12 g/cm^3 palladiumdensity 12.023 g/cm^3 rhodiumdensity 12.41 g/cm^3 rutheniumdensity 12.45 g/cm^3 berkelium_beta_density 13.25 g/cm^3 hafniumdensity 13.31 g/cm^3 curiumdensity 13.51 g/cm^3 berkelium_alphadensity 14.78 g/cm^3 californiumdensity 15.1 g/cm^3 protactiniumdensity 15.37 g/cm^3 tantalumdensity 16.69 g/cm^3 uraniumdensity 19.1 g/cm^3 tungstendensity 19.3 g/cm^3 golddensity 19.30 g/cm^3 plutoniumdensity 19.816 g/cm^3 neptuniumdensity 20.45 g/cm^3 # alpha form, only one at room temp rheniumdensity 21.02 g/cm^3 platinumdensity 21.45 g/cm^3 iridiumdensity 22.56 g/cm^3 osmiumdensity 22.59 g/cm^3 # A few alternate names tin_gray tin_alpha_density tin_white tin_beta_density graphitedensity carbon_graphite_density diamonddensity carbon_diamond_density # Predicted density of elements that have not been made in sufficient # quantities for measurement. franciumdensity 2.48 g/cm^3 # liquid, predicted melting point 8 degC astatinedensity 6.35 g/cm^3 einsteiniumdensity 8.84 g/cm^3 fermiumdensity 9.7 g/cm^3 nobeliumdensity 9.9 g/cm^3 mendeleviumdensity 10.3 g/cm^3 lawrenciumdensity 16 g/cm^3 rutherfordiumdensity 23.2 g/cm^3 roentgeniumdensity 28.7 g/cm^3 dubniumdensity 29.3 g/cm^3 darmstadtiumdensity 34.8 g/cm^3 seaborgiumdensity 35 g/cm^3 bohriumdensity 37.1 g/cm^3 meitneriumdensity 37.4 g/cm^3 hassiumdensity 41 g/cm^3 # # population units # people 1 person people death people capita people percapita per capita # TGM dozen based unit system listed on the "dozenal" forum # http://www.dozenalsociety.org.uk/apps/tgm.htm. These units are # proposed as an allegedly more rational alternative to the SI system. Tim 12^-4 hour # Time Grafut gravity Tim^2 # Length based on gravity Surf Grafut^2 # area Volm Grafut^3 # volume Vlos Grafut/Tim # speed Denz Maz/Volm # density Mag Maz gravity # force Maz Volm kg / oldliter # mass based on water Tm Tim # Abbreviations Gf Grafut Sf Surf Vm Volm Vl Vlos Mz Maz Dz Denz # Dozen based unit prefixes Zena- 12 Duna- 12^2 Trina- 12^3 Quedra- 12^4 Quena- 12^5 Hesa- 12^6 Seva- 12^7 Aka- 12^8 Neena- 12^9 Dexa- 12^10 Lefa- 12^11 Zennila- 12^12 Zeni- 12^-1 Duni- 12^-2 Trini- 12^-3 Quedri- 12^-4 Queni- 12^-5 Hesi- 12^-6 Sevi- 12^-7 Aki- 12^-8 Neeni- 12^-9 Dexi- 12^-10 Lefi- 12^-11 Zennili- 12^-12 # # Traditional Japanese units (shakkanhou) # # The traditional system of weights and measures is called shakkanhou from the # shaku and the ken. Japan accepted SI units in 1891 and legalized conversions # to the traditional system. In 1909 the inch-pound system was also legalized, # so Japan had three legally approved systems. A change to the metric system # started in 1921 but there was a lot of resistance. The Measurement Law of # October 1999 prohibits sales in anything but SI units. However, the old # units still live on in construction and as the basis for paper sizes of books # and tools used for handicrafts. # # Note that units below use the Hepburn romanization system. Some other # systems would render "mou", "jou", and "chou" as "mo", "jo" and "cho". # # # http://hiramatu-hifuka.com/onyak/onyindx.html # Japanese Proportions. These are still in everyday use. They also # get used as units to represent the proportion of the standard unit. wari_proportion 1|10 wari wari_proportion bu_proportion 1|100 # The character bu can also be read fun or bun # but usually "bu" is used for units. rin_proportion 1|1000 mou_proportion 1|10000 # Japanese Length Measures # # The length system is called kanejaku or # square and originated in China. It was # adopted as Japan's official measure in 701 # by the Taiho Code. This system is still in # common use in architecture and clothing. shaku 1|3.3 m mou 1|10000 shaku rin 1|1000 shaku bu_distance 1|100 shaku sun 1|10 shaku jou_distance 10 shaku jou jou_distance kanejakusun sun # Alias to emphasize architectural name kanejaku shaku kanejakujou jou # http://en.wikipedia.org/wiki/Taiwanese_units_of_measurement taichi shaku # http://zh.wikipedia.org/wiki/台尺 taicun sun # http://zh.wikipedia.org/wiki/台制 !utf8 台尺 taichi # via Hanyu Pinyin romanizations 台寸 taicun !endutf8 # In context of clothing, shaku is different from architecture # http://www.scinet.co.jp/sci/sanwa/kakizaki-essay54.html kujirajaku 10|8 shaku kujirajakusun 1|10 kujirajaku kujirajakubu 1|100 kujirajaku kujirajakujou 10 kujirajaku tan_distance 3 kujirajakujou ken 6 shaku # Also sometimes 6.3, 6.5, or 6.6 # http://www.homarewood.co.jp/syakusun.htm # mostly unused chou_distance 60 ken chou chou_distance ri 36 chou # Japanese Area Measures # Tsubo is still used for land size, though the others are more # recognized by their homonyms in the other measurements. gou_area 1|10 tsubo tsubo 36 shaku^2 # Size of two tatami = ken^2 ?? se 30 tsubo tan_area 10 se chou_area 10 tan_area # http://en.wikipedia.org/wiki/Taiwanese_units_of_measurement ping tsubo # http://zh.wikipedia.org/wiki/坪 jia 2934 ping # http://zh.wikipedia.org/wiki/甲_(单位) fen 1|10 jia # http://zh.wikipedia.org/wiki/分 fen_area 1|10 jia # Protection against future collisions !utf8 坪 ping # via Hanyu Pinyin romanizations 甲 jia 分 fen 分地 fen_area # Protection against future collisions !endutf8 # Japanese architecture is based on a "standard" size of tatami mat. # Room sizes today are given in number of tatami, and this number # determines the spacing between colums and hence sizes of sliding # doors and paper screens. However, every region has its own slightly # different tatami size. Edoma, used in and around Tokyo and # Hokkaido, is becoming a nationwide standard. Kyouma is used around # Kyoto, Osaka and Kyuushu, and Chuukyouma is used around Nagoya. # Note that the tatami all have the aspect ratio 2:1 so that the mats # can tile the room with some of them turned 90 degrees. # # http://www.moon2.net/tatami/infotatami/structure.html edoma (5.8*2.9) shaku^2 kyouma (6.3*3.15) shaku^2 chuukyouma (6*3) shaku^2 jou_area edoma tatami jou_area # Japanese Volume Measures # The "shou" is still used for such things as alcohol and seasonings. # Large quantities of paint are still purchased in terms of "to". shaku_volume 1|10 gou_volume gou_volume 1|10 shou gou gou_volume shou (4.9*4.9*2.7) sun^3 # The character shou which is # the same as masu refers to a # rectangular wooden cup used to # measure liquids and cereal. # Sake is sometimes served in a masu # Note that it happens to be # EXACTLY 7^4/11^3 liters. to 10 shou koku 10 to # No longer used; historically a measure of rice # Japanese Weight Measures # # http://wyoming.hp.infoseek.co.jp/zatugaku/zamoney.html # Not really used anymore. rin_weight 1|10 bu_weight bu_weight 1|10 monme fun 1|10 monme monme momme kin 160 monme kan 1000 monme kwan kan # This was the old pronounciation of the unit. # The old spelling persisted a few centuries # longer and was not changed until around # 1950. # http://en.wikipedia.org/wiki/Taiwanese_units_of_measurement # says: "Volume measure in Taiwan is largely metric". taijin kin # http://zh.wikipedia.org/wiki/台斤 tailiang 10 monme # http://zh.wikipedia.org/wiki/台斤 taiqian monme # http://zh.wikipedia.org/wiki/台制 !utf8 台斤 taijin # via Hanyu Pinyin romanizations 台兩 tailiang 台錢 taiqian !endutf8 # # Australian unit # australiasquare (10 ft)^2 # Used for house area # # A few German units as currently in use. # zentner 50 kg doppelzentner 2 zentner pfund 500 g # The klafter, which was used in central Europe, was derived from the span of # outstretched arms. # # https://en.wikipedia.org/wiki/Obsolete_Austrian_units_of_measurement # https://www.llv.li/files/abi/klafter-m2-en.pdf austriaklafter 1.89648384 m # Exact definition, 23 July 1871 austriafoot 1|6 austriaklafter prussiaklafter 1.88 m prussiafoot 1|6 prussiaklafter bavariaklafter 1.751155 m bavariafoot 1|6 bavariaklafter hesseklafter 2.5 m hessefoot 1|6 hesseklafter switzerlandklafter metricklafter switzerlandfoot 1|6 switzerlandklafter swissklafter switzerlandklafter swissfoot 1|6 swissklafter metricklafter 1.8 m austriayoke 8 austriaklafter * 200 austriaklafter liechtensteinsquareklafter 3.596652 m^2 # Used until 2017 to measure land area liechtensteinklafter sqrt(liechtensteinsquareklafter) # The klafter was also used to measure volume of wood, generally being a stack # of wood one klafter wide, one klafter long, with logs 3 feet (half a klafter) # in length prussiawoodklafter 0.5 prussiaklafter^3 austriawoodklafter 0.5 austriaklafter^3 festmeter m^3 # modern measure of wood, solid cube raummeter 0.7 festmeter # Air space between the logs, stacked schuettraummeter 0.65 raummeter # A cubic meter volume of split and cut schüttraummeter schuettraummeter# firewood in a loose, unordered # pile, not stacked. This is called # "tipped". # # Swedish (Sweden) pre-metric units of 1739. # The metric system was adopted in 1878. # https://sv.wikipedia.org/wiki/Verkm%C3%A5tt # verklinje 2.0618125 mm verktum 12 verklinje kvarter 6 verktum fot 2 kvarter aln 2 fot famn 3 aln # # Some traditional Russian measures # # If you would like to help expand this section and understand # cyrillic transliteration, let me know. These measures are meant to # reflect common usage, e.g. in translated literature. # dessiatine 2400 sazhen^2 # Land measure dessjatine dessiatine funt 409.51718 grams # similar to pound zolotnik 1|96 funt # used for precious metal measure pood 40 funt # common in agricultural measure arshin (2 + 1|3) feet sazhen 3 arshin # analogous to fathom verst 500 sazhen # of similar use to mile versta verst borderverst 1000 sazhen russianmile 7 verst # # Old French distance measures, from French Weights and Measures # Before the Revolution by Zupko # frenchfoot 144|443.296 m # pied de roi, the standard of Paris. pied frenchfoot # Half of the hashimicubit, frenchfeet frenchfoot # instituted by Charlemagne. frenchinch 1|12 frenchfoot # This exact definition comes from frenchthumb frenchinch # a law passed on 10 Dec 1799 which pouce frenchthumb # fixed the meter at # 3 frenchfeet + 11.296 lignes. frenchline 1|12 frenchinch # This is supposed to be the size ligne frenchline # of the average barleycorn frenchpoint 1|12 frenchline toise 6 frenchfeet arpent 180^2 pied^2 # The arpent is 100 square perches, # but the perche seems to vary a lot # and can be 18 feet, 20 feet, or 22 # feet. This measure was described # as being in common use in Canada in # 1934 (Websters 2nd). The value # given here is the Paris standard # arpent. frenchgrain 1|18827.15 kg # Weight of a wheat grain, hence # smaller than the British grain. frenchpound 9216 frenchgrain # # Before the Imperial Weights and Measures Act of 1824, various different # weights and measures were in use in different places. # # Scots linear measure scotsinch 1.00540054 UKinch scotslink 1|100 scotschain scotsfoot 12 scotsinch scotsfeet scotsfoot scotsell 37 scotsinch scotsfall 6 scotsell scotschain 4 scotsfall scotsfurlong 10 scotschain scotsmile 8 scotsfurlong # Scots area measure scotsrood 40 scotsfall^2 scotsacre 4 scotsrood # Irish linear measure irishinch UKinch irishpalm 3 irishinch irishspan 3 irishpalm irishfoot 12 irishinch irishfeet irishfoot irishcubit 18 irishinch irishyard 3 irishfeet irishpace 5 irishfeet irishfathom 6 irishfeet irishpole 7 irishyard # Only these values irishperch irishpole # are different from irishchain 4 irishperch # the British Imperial irishlink 1|100 irishchain # or English values for irishfurlong 10 irishchain # these lengths. irishmile 8 irishfurlong # # Irish area measure irishrood 40 irishpole^2 irishacre 4 irishrood # English wine capacity measures (Winchester measures) winepint 1|2 winequart winequart 1|4 winegallon winegallon 231 UKinch^3 # Sometimes called the Winchester Wine Gallon, # it was legalized in 1707 by Queen Anne, and # given the definition of 231 cubic inches. It # had been in use for a while as 8 pounds of wine # using a merchant's pound, but the definition of # the merchant's pound had become uncertain. A # pound of 15 tower ounces (6750 grains) had been # common, but then a pound of 15 troy ounces # (7200 grains) gained popularity. Because of # the switch in the value of the merchants pound, # the size of the wine gallon was uncertain in # the market, hence the official act in 1707. # The act allowed that a six inch tall cylinder # with a 7 inch diameter was a lawful wine # gallon. (This comes out to 230.9 in^3.) # Note also that in Britain a legal conversion # was established to the 1824 Imperial gallon # then taken as 277.274 in^3 so that the wine # gallon was 0.8331 imperial gallons. This is # 231.1 cubic inches (using the international # inch). winerundlet 18 winegallon winebarrel 31.5 winegallon winetierce 42 winegallon winehogshead 2 winebarrel winepuncheon 2 winetierce winebutt 2 winehogshead winepipe winebutt winetun 2 winebutt # English beer and ale measures used 1803-1824 and used for beer before 1688 beerpint 1|2 beerquart beerquart 1|4 beergallon beergallon 282 UKinch^3 beerbarrel 36 beergallon beerhogshead 1.5 beerbarrel # English ale measures used from 1688-1803 for both ale and beer alepint 1|2 alequart alequart 1|4 alegallon alegallon beergallon alebarrel 34 alegallon alehogshead 1.5 alebarrel # Scots capacity measure scotsgill 1|4 mutchkin mutchkin 1|2 choppin choppin 1|2 scotspint scotspint 1|2 scotsquart scotsquart 1|4 scotsgallon scotsgallon 827.232 UKinch^3 scotsbarrel 8 scotsgallon jug scotspint # Scots dry capacity measure scotswheatlippy 137.333 UKinch^3 # Also used for peas, beans, rye, salt scotswheatlippies scotswheatlippy scotswheatpeck 4 scotswheatlippy scotswheatfirlot 4 scotswheatpeck scotswheatboll 4 scotswheatfirlot scotswheatchalder 16 scotswheatboll scotsoatlippy 200.345 UKinch^3 # Also used for barley and malt scotsoatlippies scotsoatlippy scotsoatpeck 4 scotsoatlippy scotsoatfirlot 4 scotsoatpeck scotsoatboll 4 scotsoatfirlot scotsoatchalder 16 scotsoatboll # Scots Tron weight trondrop 1|16 tronounce tronounce 1|20 tronpound tronpound 9520 grain tronstone 16 tronpound # Irish liquid capacity measure irishnoggin 1|4 irishpint irishpint 1|2 irishquart irishquart 1|2 irishpottle irishpottle 1|2 irishgallon irishgallon 217.6 UKinch^3 irishrundlet 18 irishgallon irishbarrel 31.5 irishgallon irishtierce 42 irishgallon irishhogshead 2 irishbarrel irishpuncheon 2 irishtierce irishpipe 2 irishhogshead irishtun 2 irishpipe # Irish dry capacity measure irishpeck 2 irishgallon irishbushel 4 irishpeck irishstrike 2 irishbushel irishdrybarrel 2 irishstrike irishquarter 2 irishbarrel # English Tower weights, abolished in 1528 towerpound 5400 grain towerounce 1|12 towerpound towerpennyweight 1|20 towerounce towergrain 1|32 towerpennyweight # English Mercantile weights, used since the late 12th century mercpound 6750 grain mercounce 1|15 mercpound mercpennyweight 1|20 mercounce # English weights for lead leadstone 12.5 lb fotmal 70 lb leadwey 14 leadstone fothers 12 leadwey # English Hay measure newhaytruss 60 lb # New and old here seem to refer to "new" newhayload 36 newhaytruss # hay and "old" hay rather than a new unit oldhaytruss 56 lb # and an old unit. oldhayload 36 oldhaytruss # English wool measure woolclove 7 lb woolstone 2 woolclove wooltod 2 woolstone woolwey 13 woolstone woolsack 2 woolwey woolsarpler 2 woolsack woollast 6 woolsarpler # # Ancient history units: There tends to be uncertainty in the definitions # of the units in this section # These units are from [11] # Roman measure. The Romans had a well defined distance measure, but their # measures of weight were poor. They adopted local weights in different # regions without distinguishing among them so that there are half a dozen # different Roman "standard" weight systems. romanfoot 296 mm # There is some uncertainty in this definition romanfeet romanfoot # from which all the other units are derived. pes romanfoot # This value appears in numerous sources. In "The pedes romanfoot # Roman Land Surveyors", Dilke gives 295.7 mm. romaninch 1|12 romanfoot # The subdivisions of the Roman foot have the romandigit 1|16 romanfoot # same names as the subdivisions of the pound, romanpalm 1|4 romanfoot # but we can't have the names for different romancubit 18 romaninch # units. romanpace 5 romanfeet # Roman double pace (basic military unit) passus romanpace romanperch 10 romanfeet stade 125 romanpaces stadia stade stadium stade romanmile 8 stadia # 1000 paces romanleague 1.5 romanmile schoenus 4 romanmile # Other values for the Roman foot (from Dilke) earlyromanfoot 29.73 cm pesdrusianus 33.3 cm # or 33.35 cm, used in Gaul & Germany in 1st c BC lateromanfoot 29.42 cm # Roman areas actuslength 120 romanfeet # length of a Roman furrow actus 120*4 romanfeet^2 # area of the furrow squareactus 120^2 romanfeet^2 # actus quadratus acnua squareactus iugerum 2 squareactus iugera iugerum jugerum iugerum jugera iugerum heredium 2 iugera # heritable plot heredia heredium centuria 100 heredia centurium centuria # Roman volumes sextarius 35.4 in^3 # Basic unit of Roman volume. As always, sextarii sextarius # there is uncertainty. Six large Roman # measures survive with volumes ranging from # 34.4 in^3 to 39.55 in^3. Three of them # cluster around the size given here. # # But the values for this unit vary wildly # in other sources. One reference gives 0.547 # liters, but then says the amphora is a # cubic Roman foot. This gives a value for the # sextarius of 0.540 liters. And the # encyclopedia Britannica lists 0.53 liters for # this unit. Both [7] and [11], which were # written by scholars of weights and measures, # give the value of 35.4 cubic inches. cochlearia 1|48 sextarius cyathi 1|12 sextarius acetabula 1|8 sextarius quartaria 1|4 sextarius quartarius quartaria heminae 1|2 sextarius hemina heminae cheonix 1.5 sextarii # Dry volume measures (usually) semodius 8 sextarius semodii semodius modius 16 sextarius modii modius # Liquid volume measures (usually) congius 12 heminae congii congius amphora 8 congii amphorae amphora # Also a dry volume measure culleus 20 amphorae quadrantal amphora # Roman weights libra 5052 grain # The Roman pound varied significantly librae libra # from 4210 grains to 5232 grains. Most of romanpound libra # the standards were obtained from the weight uncia 1|12 libra # of particular coins. The one given here is unciae uncia # based on the Gold Aureus of Augustus which romanounce uncia # was in use from BC 27 to AD 296. deunx 11 uncia dextans 10 uncia dodrans 9 uncia bes 8 uncia seprunx 7 uncia semis 6 uncia quincunx 5 uncia triens 4 uncia quadrans 3 uncia sextans 2 uncia sescuncia 1.5 uncia semuncia 1|2 uncia siscilius 1|4 uncia sextula 1|6 uncia semisextula 1|12 uncia scriptulum 1|24 uncia scrupula scriptulum romanobol 1|2 scrupula romanaspound 4210 grain # Old pound based on bronze coinage, the # earliest money of Rome BC 338 to BC 268. # Egyptian length measure egyptianroyalcubit 20.63 in # plus or minus .2 in egyptianpalm 1|7 egyptianroyalcubit egyptiandigit 1|4 egyptianpalm egyptianshortcubit 6 egyptianpalm doubleremen 29.16 in # Length of the diagonal of a square with remendigit 1|40 doubleremen # side length of 1 royal egyptian cubit. # This is divided into 40 digits which are # not the same size as the digits based on # the royal cubit. # Greek length measures greekfoot 12.45 in # Listed as being derived from the greekfeet greekfoot # Egyptian Royal cubit in [11]. It is greekcubit 1.5 greekfoot # said to be 3|5 of a 20.75 in cubit. pous greekfoot podes greekfoot orguia 6 greekfoot greekfathom orguia stadion 100 orguia akaina 10 greekfeet plethron 10 akaina greekfinger 1|16 greekfoot homericcubit 20 greekfingers # Elbow to end of knuckles. shortgreekcubit 18 greekfingers # Elbow to start of fingers. ionicfoot 296 mm doricfoot 326 mm olympiccubit 25 remendigit # These olympic measures were not as olympicfoot 2|3 olympiccubit # common as the other greek measures. olympicfinger 1|16 olympicfoot # They were used in agriculture. olympicfeet olympicfoot olympicdakylos olympicfinger olympicpalm 1|4 olympicfoot olympicpalestra olympicpalm olympicspithame 3|4 foot olympicspan olympicspithame olympicbema 2.5 olympicfeet olympicpace olympicbema olympicorguia 6 olympicfeet olympicfathom olympicorguia olympiccord 60 olympicfeet olympicamma olympiccord olympicplethron 100 olympicfeet olympicstadion 600 olympicfeet # Greek capacity measure greekkotyle 270 ml # This approximate value is obtained xestes 2 greekkotyle # from two earthenware vessels that khous 12 greekkotyle # were reconstructed from fragments. metretes 12 khous # The kotyle is a day's corn ration choinix 4 greekkotyle # for one man. hekteos 8 choinix medimnos 6 hekteos # Greek weight. Two weight standards were used, an Aegina standard based # on the Beqa shekel and an Athens (attic) standard. aeginastater 192 grain # Varies up to 199 grain aeginadrachmae 1|2 aeginastater aeginaobol 1|6 aeginadrachmae aeginamina 50 aeginastaters aeginatalent 60 aeginamina # Supposedly the mass of a cubic foot # of water (whichever foot was in use) atticstater 135 grain # Varies 134-138 grain atticdrachmae 1|2 atticstater atticobol 1|6 atticdrachmae atticmina 50 atticstaters attictalent 60 atticmina # Supposedly the mass of a cubic foot # of water (whichever foot was in use) # "Northern" cubit and foot. This was used by the pre-Aryan civilization in # the Indus valley. It was used in Mesopotamia, Egypt, North Africa, China, # central and Western Europe until modern times when it was displaced by # the metric system. northerncubit 26.6 in # plus/minus .2 in northernfoot 1|2 northerncubit sumeriancubit 495 mm kus sumeriancubit sumerianfoot 2|3 sumeriancubit assyriancubit 21.6 in assyrianfoot 1|2 assyriancubit assyrianpalm 1|3 assyrianfoot assyriansusi 1|20 assyrianpalm susi assyriansusi persianroyalcubit 7 assyrianpalm # Arabic measures. The arabic standards were meticulously kept. Glass weights # accurate to .2 grains were made during AD 714-900. hashimicubit 25.56 in # Standard of linear measure used # in Persian dominions of the Arabic # empire 7-8th cent. Is equal to two # French feet. blackcubit 21.28 in arabicfeet 1|2 blackcubit arabicfoot arabicfeet arabicinch 1|12 arabicfoot arabicmile 4000 blackcubit silverdirhem 45 grain # The weights were derived from these two tradedirhem 48 grain # units with two identically named systems # used for silver and used for trade purposes silverkirat 1|16 silverdirhem silverwukiyeh 10 silverdirhem silverrotl 12 silverwukiyeh arabicsilverpound silverrotl tradekirat 1|16 tradedirhem tradewukiyeh 10 tradedirhem traderotl 12 tradewukiyeh arabictradepound traderotl # Miscellaneous ancient units parasang 3.5 mile # Persian unit of length usually thought # to be between 3 and 3.5 miles biblicalcubit 21.8 in hebrewcubit 17.58 in li 10|27.8 mile # Chinese unit of length # 100 li is considered a day's march liang 11|3 oz # Chinese weight unit # Medieval time units. According to the OED, these appear in Du Cange # by Papias. timepoint 1|5 hour # also given as 1|4 timeminute 1|10 hour timeostent 1|60 hour timeounce 1|8 timeostent timeatom 1|47 timeounce # Given in [15], these subdivisions of the grain were supposedly used # by jewelers. The mite may have been used but the blanc could not # have been accurately measured. mite 1|20 grain droit 1|24 mite periot 1|20 droit blanc 1|24 periot # # Localization # !var UNITS_ENGLISH US hundredweight ushundredweight ton uston scruple apscruple fluidounce usfluidounce gallon usgallon bushel usbushel quarter quarterweight cup uscup tablespoon ustablespoon teaspoon usteaspoon dollar US$ cent $ 0.01 penny cent minim minimvolume pony ponyvolume grand usgrand firkin usfirkin hogshead ushogshead !endvar !var UNITS_ENGLISH GB hundredweight brhundredweight ton brton scruple brscruple fluidounce brfluidounce gallon brgallon bushel brbushel quarter brquarter chaldron brchaldron cup brcup teacup brteacup tablespoon brtablespoon teaspoon brteaspoon dollar US$ cent $ 0.01 penny brpenny minim minimnote pony brpony grand brgrand firkin brfirkin hogshead brhogshead !endvar !varnot UNITS_ENGLISH GB US !message Unknown value for environment variable UNITS_ENGLISH. Should be GB or US. !endvar !utf8 ⅛- 1|8 ¼- 1|4 ⅜- 3|8 ½- 1|2 ⅝- 5|8 ¾- 3|4 ⅞- 7|8 ⅙- 1|6 ⅓- 1|3 ⅔- 2|3 ⅚- 5|6 ⅕- 1|5 ⅖- 2|5 ⅗- 3|5 ⅘- 4|5 # U+2150- 1|7 For some reason these characters are getting # U+2151- 1|9 flagged as invalid UTF8. # U+2152- 1|10 #⅐- 1|7 # fails under MacOS #⅑- 1|9 # fails under MacOS #⅒- 1|10 # fails under MacOS ℯ exp(1) # U+212F, base of natural log µ- micro # micro sign U+00B5 μ- micro # small mu U+03BC ångström angstrom Å angstrom # angstrom symbol U+212B Å angstrom # A with ring U+00C5 röntgen roentgen °C degC °F degF °K K # °K is incorrect notation °R degR ° degree ℃ degC ℉ degF K K # Kelvin symbol, U+212A ℓ liter # unofficial abbreviation used in some places Ω ohm # Ohm symbol U+2126 Ω ohm # Greek capital omega U+03A9 ℧ mho ʒ dram # U+0292 ℈ scruple ℥ ounce ℔ lb ℎ h ℏ hbar τ tau π pi # Greek letter pi 𝜋 pi # mathematical italic small pi α alpha σ sigma ‰ 1|1000 ‱ 1|10000 ′ ' # U+2032 ″ " # U+2033 # # Unicode currency symbols # ¢ cent £ britainpound ¥ japanyen € euro ₩ southkoreawon ₪ israelnewshekel ₤ lira # ₺ turkeylira # fails under MacOS ₨ rupee # unofficial legacy rupee sign # ₹ indiarupee # official rupee sign # MacOS fail #؋ afghanafghani # fails under MacOS ฿ thailandbaht ₡ elsalvadorcolon # Also costaricacolon ₣ francefranc ₦ nigerianaira ₧ spainpeseta ₫ vietnamdong ₭ laokip ₮ mongoliatugrik ₯ greecedrachma ₱ philippinepeso # ₲ paraguayguarani # fails under MacOS #₴ ukrainehryvnia # fails under MacOS #₵ ghanacedi # fails under MacOS #₸ kazakhstantenge # fails under MacOS #₼ azerbaijanmanat # fails under MacOS #₽ russiaruble # fails under MacOS #₾ georgialari # fails under MacOS ﷼ iranrial ﹩ $ ￠ ¢ ￡ £ ￥ ¥ ￦ ₩ # # Square Unicode symbols starting at U+3371 # ㍱ hPa ㍲ da ㍳ au ㍴ bar # ㍵ oV??? ㍶ pc #㍷ dm invalid on Mac #㍸ dm^2 invalid on Mac #㍹ dm^3 invalid on Mac ㎀ pA ㎁ nA ㎂ µA ㎃ mA ㎄ kA ㎅ kB ㎆ MB ㎇ GB ㎈ cal ㎉ kcal ㎊ pF ㎋ nF ㎌ µF ㎍ µg ㎎ mg ㎏ kg ㎐ Hz ㎑ kHz ㎒ MHz ㎓ GHz ㎔ THz ㎕ µL ㎖ mL ㎗ dL ㎘ kL ㎙ fm ㎚ nm ㎛ µm ㎜ mm ㎝ cm ㎞ km ㎟ mm^2 ㎠ cm^2 ㎡ m^2 ㎢ km^2 ㎣ mm^3 ㎤ cm^3 ㎥ m^3 ㎦ km^3 ㎧ m/s ㎨ m/s^2 ㎩ Pa ㎪ kPa ㎫ MPa ㎬ GPa ㎭ rad ㎮ rad/s ㎯ rad/s^2 ㎰ ps ㎱ ns ㎲ µs ㎳ ms ㎴ pV ㎵ nV ㎶ µV ㎷ mV ㎸ kV ㎹ MV ㎺ pW ㎻ nW ㎼ µW ㎽ mW ㎾ kW ㎿ MW ㏀ kΩ ㏁ MΩ ㏃ Bq ㏄ cc ㏅ cd ㏆ C/kg ㏈() dB ㏉ Gy ㏊ ha # ㏋ HP?? ㏌ in # ㏍ KK?? # ㏎ KM??? ㏏ kt ㏐ lm # ㏑ ln # ㏒ log ㏓ lx ㏔ mb ㏕ mil ㏖ mol ㏗() pH ㏙ ppm # ㏚ PR??? ㏛ sr ㏜ Sv ㏝ Wb #㏞ V/m Invalid on Mac #㏟ A/m Invalid on Mac #㏿ gal Invalid on Mac !endutf8 ############################################################################ # # Unit list aliases # # These provide a shorthand for conversions to unit lists. # ############################################################################ !unitlist hms hr;min;sec !unitlist time year;day;hr;min;sec !unitlist dms deg;arcmin;arcsec !unitlist ftin ft;in;1|8 in !unitlist inchfine in;1|8 in;1|16 in;1|32 in;1|64 in !unitlist usvol cup;3|4 cup;2|3 cup;1|2 cup;1|3 cup;1|4 cup;\ tbsp;tsp;1|2 tsp;1|4 tsp;1|8 tsp ############################################################################ # # The following units were in the Unix units database but do not appear in # this file: # # wey used for cheese, salt and other goods. Measured mass or # waymass volume depending on what was measured and where the measuring # took place. A wey of cheese ranged from 200 to 324 pounds. # # sack No precise definition # # spindle The length depends on the type of yarn # # block Defined variously on different computer systems # # erlang A unit of telephone traffic defined variously. # Omitted because there are no other units for this # dimension. Is this true? What about CCS = 1/36 erlang? # Erlang is supposed to be dimensionless. One erlang means # a single channel occupied for one hour. # ############################################################################ # # The following have been suggested or considered and deemed out of scope. # They will not be added to GNU units. # # Conversions between different calendar systems used in different countries or # different historical periods are out of scope for units and will not be added. # # Wind chill and heat index cannot be handled because they are bivarite, # with dependence on both the temperature and wind speed or humidity. # # Plain english text output like "one hectare is equivalent to one hundred # million square centimeters" is out of scope. # OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/external/GNU_Units/COPYING0000644000200400020040000010451315112031047026503 0ustar andriusandrius GNU GENERAL PUBLIC LICENSE Version 3, 29 June 2007 Copyright (C) 2007 Free Software Foundation, Inc. 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Copyright (C) This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program. If not, see . Also add information on how to contact you by electronic and paper mail. If the program does terminal interaction, make it output a short notice like this when it starts in an interactive mode: Copyright (C) This program comes with ABSOLUTELY NO WARRANTY; for details type `show w'. This is free software, and you are welcome to redistribute it under certain conditions; type `show c' for details. 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OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/external/GNU_Units/README.md0000644000200400020040000000103515112031047026722 0ustar andriusandriusThis directory contains only the GNU Units database file `definitions.units` referenced in the OPTIMADE standard of this repository. It has been extracted from the source distribution of the GNU Units software. This file is licensed separately from other files in the repository. It is available under the GNU General Public License (GPL). Full information on how the file is licensed is available in the [header of the file](definitions.units) and the license file [COPYING](COPYING) included in the same directory as this README.md file. 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OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/optimade.rst0000644000200400020040000116363515112031047024362 0ustar andriusandrius========================================= OPTIMADE API specification v1.3.0~develop ========================================= .. comment This document uses RST text roles on (almost) all literals to specify the context to which each literal belongs. This markup enables nicer formatting (e.g., HTML output can be formatted using CSS), as well as automated spell checks and testing. Below follows the definitions of the text roles used: # Filtering filter : full OPTIMADE filter strings filter-fragment : segments of filter strings, or filter strings that uses, e.g., "..." so they would not pass a validation. filter-op : operators and keywords in the filtering language ere : regex on ere form pcre : regex on pcre form # OPTIMADE concepts entry : names of type of resources, served via OPTIMADE, pertaining to data in a database. property : data item that belongs to an entry. val : value examples that properties can be. :val: is ONLY used when referencing values of actual properties, i.e., information that belongs to the database. type : data type of values. MUST equal a valid OPTIMADE data type as listed and defined under `Data types`_. # URL queries endpoint : specification of endpoints and endpoint names. query-param : URL query parameter names. query-string : strings that represent segments of URL query strings, with query parameters and values. query-url : full URLs, or relative starting with a '/' of URL queries. # HTTP http-header : an HTTP header name, or header + value. http-error : an HTTP error on form . # Responses json : examples of JSON output. field : keys in key-value dictionaries in responses. field-val : value examples that fields can be set to. Note that `null` sometimes refer to the OPTIMADE concept of :val:`null`, and sometimes to the javascript constant :field-val:`null`, and the markup distinguishes these two cases. object : names of more complex response objects. # Validation -fail : means this is a counter-example of something that is meant to be on form but is not valid. .. role:: filter(code) .. role:: filter-fragment(literal) .. role:: filter-op(literal) .. role:: ere(literal) .. role:: pcre(literal) .. role:: entry(literal) .. role:: property(literal) .. role:: val(literal) .. role:: type(literal) .. role:: property-fail(literal) .. role:: endpoint(literal) .. role:: query-param(literal) .. role:: query-val(literal) .. role:: query-string(literal) .. role:: query-url(literal) .. role:: http-header(literal) .. role:: http-error(literal) .. role:: json(code) :language: json .. role:: field(literal) .. role:: field-val(literal) .. role:: object(literal) .. sectnum:: .. contents:: Introduction ============ As researchers create independent materials databases, much can be gained from retrieving data from multiple databases. However, automating the retrieval of data is difficult if each database has a different application programming interface (API). This document specifies a standard API for retrieving data from materials databases. This API specification has been developed over a series of workshops entitled "Open Databases Integration for Materials Design", held at the Lorentz Center in Leiden, Netherlands and the CECAM headquarters in Lausanne, Switzerland. The API specification described in this document builds on top of the `JSON:API v1.1 specification `__. More specifically, it defines specific `implementation semantics `__ allowed by the JSON:API standard, but which go beyond the restrictions imposed on `JSON:API profiles `__ and `extensions `__. The JSON:API specification is assumed to apply wherever it is stricter than what is formulated in this document. Exceptions to this rule are stated explicitly (e.g. non-compliant responses are tolerated if a non-standard response format is explicitly requested). Definition of Terms =================== The keywords "MUST", "MUST NOT", "REQUIRED", "SHALL", "SHALL NOT", "SHOULD", "SHOULD NOT", "RECOMMENDED", "MAY", and "OPTIONAL" in this document are to be interpreted as described in :RFC:`2119`. **Database provider** A service that provides one or more databases with data desired to be made available using the OPTIMADE API. **Database-provider-specific prefix** Every database provider is designated a unique prefix. The prefix is used to separate the namespaces used by provider-specific extensions. The list of presently defined prefixes is maintained externally from this specification. For more information, see section `Namespace Prefixes`_. **Definition provider** A service that provides one or more external or domain-specific property definitions that can be used by OPTIMADE API implementations. **Definition provider prefix** Every definition provider is designated a prefix that cannot clash with an existing database provider prefix. The prefix is used to separate the namespaces used by these collections of definitions. The list of presently defined prefixes is maintained externally from this specification. For more information, see section `Namespace Prefixes`_. **API implementation** A realization of the OPTIMADE API that a database provider uses to serve data from one or more databases. **Identifier** Names that MUST start with a lowercase letter ([a-z]) or an underscore ("\_") followed by any number of lowercase alphanumerics ([a-z0-9]) and underscores ("\_"). **Base URL** The topmost URL under which the API is served. See section `Base URL`_. **Versioned base URL** A URL formed by the base URL plus a path segment indicating a version of the API. See section `Base URL`_. **Entry** A single instance of a specific type of resource served by the API implementation. For example, a :entry:`structures` entry is comprised by data that belong to a single structure. **Entry type** Entries are categorized into types, e.g., :entry:`structures`, :entry:`calculations`, :entry:`references`. Entry types MUST be named according to the rules for identifiers. **Entry property** One data item which belongs to an entry, e.g., the chemical formula of a structure. **Entry property name** The name of an entry property. Entry property names MUST follow the rules for identifiers and MUST NOT have the same name as any of the entry types. **Relationship** Any entry can have one or more relationships with other entries. These are described in section `Relationships`_. Relationships describe links between entries rather than data that belong to a single entry, and are thus regarded as distinct from the entry properties. **Query filter** An expression used to influence the entries returned in the response to a URL query. The filter is specified using the URL query parameter :query-param:`filter` using a format described in the section `API Filtering Format Specification`_. **Queryable property** An entry property that can be referred to in the filtering of results. See section `API Filtering Format Specification`_ for more information on formulating filters on properties. The section `Entry List`_ specifies the REQUIRED level of query support for different properties. If nothing is specified, any support for queries is OPTIONAL. **ID** The ID entry property is a unique string referencing a specific entry in the database. The following constraints and conventions apply to IDs: - Taken together, the ID and entry type MUST uniquely identify the entry. - Reasonably short IDs are encouraged and SHOULD NOT be longer than 255 characters. - IDs MAY change over time. **Immutable ID** A unique string that specifies a specific resource in a database. The string MUST NOT change over time. **Response format** The data format for the HTTP response, which can be selected using the :query-param:`response_format` URL query parameter. For more info, see section `Response Format`_. **Field** The key used in response formats that return data in associative-array-type data structures. This is particularly relevant for the default JSON-based response format. In this case, **field** refers to the name part of the name-value pairs of JSON objects. Data types ---------- An API implementation handles data types and their representations in three different contexts: - In the HTTP URL query filter, see section `API Filtering Format Specification`_. - In the HTTP response. The default response format is JSON-based and thus uses JSON data types. However, other response formats can use different data types. For more info, see section `Responses`_. - The underlying database backend(s) from which the implementation serves data. Hence, entry properties are described in this proposal using context-independent types that are assumed to have some form of representation in all contexts. They are as follows: - Basic types: **string**, **integer**, **float**, **boolean**, **timestamp**. - **list**: an ordered indexed collection of items that are either (i) all of the same basic type, (ii) only dictionaries, or (iii) only lists. In each case, (i)-(iii), unknown values (i.e., ``null``) are also allowed at any of the positions. A list can also be empty, i.e., contain no items. An empty list has a distinct meaning from ``null``, namely, it is a list with no items (see `Properties with an unknown value`_). Multidimensional collections of items are represented as nested lists. This specification uses the term **list axis** to refer to the levels of nesting in nested lists, and **dimensionality** as the deepest nesting level of the list and its sublists. A list can have items of different lengths along a given axis, i.e., nested lists are **not** limited to representing rectangular arrangement of items. While this definition allows for complex structures of nested lists of varying nesting level, only those variants that can be validated by OPTIMADE `Property definitions`_ can be used for properties. Examples of valid lists: - ``[1.0, 2.0, 3.0]`` is a one-dimensional list of three floats (only one axis). - ``[]`` is a one-dimensional empty list. - ``[1.0, null, 3.0]`` is a one-dimensional list of floats. The ``null`` value is valid as it represents an unknown value. - ``[[1, 2], [3, 4], [5, 6]]`` is a two-dimensional list of three lists, each containing two integers. The first list axis has length 3 and the second list axis has length 2. - ``[[1, 2], [3, 4, 5], [6]]`` is a two-dimensional list of three lists, each containing a different number of integers, and each sublist has a different length. - ``[[1, 2], [null], [3]]`` and ``[[1, 2], [], [3]]`` are both valid two-dimensional lists, since all items can be indexed by two list indices. - ``[[1, 2], null, [3]]`` is valid since ``null`` can substitute items of any type, including sublists. Examples of invalid lists: - ``[3.0, "string"]`` is not a valid list, since the two elements have different types. Examples of lists that are valid, but cannot be used for properties in OPTIMADE due to limits imposed by OPTIMADE property definitions: - ``[[1.0, 2.0], ["string", "string"]]``: while each of the two sublists is a valid list ([1.0, 2.0] is a list of floats, and ["string", "string"] is a list of strings), the two sublists cannot be validated by the same item subschema in a Property definition. - ``[[1.0, 2.0], [[3.0], [4.0]], [5.0]]``: the second sublist contains nested lists, whereas the other two sublists do not, thus not allowing a consistent definition of the dimensions and axes of the list. As of OPTIMADE v1.2, such lists are excluded by Property definitions. - **dictionary**: a collection of **key**-**value** pairs, where **keys** are pre-determined strings, i.e., for the same entry property the **keys** remain the same among different entries whereas the **values** change. The **values** of a dictionary can be any basic type, list, dictionary, or unknown. - Namespace-specific data type (described in `Type handling and conversions in comparisons`_). An entry property value that is not present in the database is **unknown**. This is equivalently expressed by the statement that the value of that entry property is :val:`null`. For more information see section `Properties with an unknown value`_ The definition of a property of an entry type specifies a type. The value of that property MUST either have a value of that type, or be unknown. General API Requirements and Conventions ======================================== Versioning of this standard --------------------------- This standard describes a communication protocol that, when implemented by a server, provides clients with an API for data access. Released versions of the standard are versioned using `semantic versioning v2 `__ in reference to changes in *that API* (i.e., not in the server-side implementation of the protocol). To clarify: semantic versioning mandates version numbers of the form MAJOR.MINOR.PATCH, where a "backwards incompatible API change" requires incrementing the MAJOR version number. A future version of the OPTIMADE standard can mandate servers to change their behavior to be compliant with the newer version. However, such changes are only considered "backwards incompatible API changes" if they have the potential to break clients that correctly use the API according to the earlier version. Furthermore, the addition of new keys in key-value-formatted responses of the OPTIMADE API are not regarded as "backwards incompatible API changes." Hence, a client MUST disregard unrecognized keys when interpreting responses (but MAY issue warnings about them). On the other hand, a change of the OPTIMADE standard that fundamentally alters the interpretation of a response due to the presence of a new key will be regarded as a "backwards incompatible API change" since a client interpreting the response according to a prior version of the standard would misinterpret that response. Working copies distributed as part of the development of the standard are marked with the version number for the release they are based on with an additional "~develop" suffix. These "versions" do not refer to a single specific instance of the text (i.e., the same "~develop" version string is retained until a release), nor is it clear to what degree they contain backwards incompatible API changes. Hence, the suffix is intentionally designed to make these version strings not to conform with semantic versioning to prevent incorrect comparisons to released versions using the scheme prescribed by semantic versioning. Version strings with a "~develop" suffix MAY be used by implementations during testing. However, a client that encounters them unexpectedly SHOULD NOT make any assumptions about the level of API compatibility. In conclusion, the versioning policy of this standard is designed to allow clients using the OPTIMADE API according to a specific version of the standard to assume compatibility with servers implementing any future (non-development) version of the standard sharing the same MAJOR version number. Base URL -------- Each database provider will publish one or more **base URLs** that serve the API, for example: http://example.com/optimade/. Every URL path segment that follows the base URL MUST behave as standardized in this API specification. Versioned base URLs ~~~~~~~~~~~~~~~~~~~ Access to the API is primarily provided under **versioned base URLs**. An implementation MUST provide access to the API under a URL where the first path segment appended to the base URL is :query-url:`/vMAJOR`, where :val:`MAJOR` is one of the major version numbers of the API that the implementation supports. This URL MUST serve the *latest* minor/patch version supported by the implementation. For example, the latest minor and patch version of major version 1 of the API is served under :query-url:`/v1`. An implementation MAY also provide versioned base URLs on the forms :query-url:`/vMAJOR.MINOR` and :query-url:`/vMAJOR.MINOR.PATCH`. Here, :val:`MINOR` is the minor version number and :val:`PATCH` is the patch version number of the API. A URL on the form :query-url:`/vMAJOR.MINOR` MUST serve the *latest* patch version supported by the implementation of this minor version. API versions that are published with a suffix, e.g., :val:`-rc` to indicate a release candidate version, SHOULD be served on versioned base URLs without this suffix. If a request is made to a versioned base URL that begins with :query-url:`/v` and an integer followed by any other characters, indicating a version that the implementation does not recognize or support, the implementation SHOULD respond with the custom HTTP server error status code :http-error:`553 Version Not Supported`, preferably along with a user-friendly error message that directs the client to adapt the request to a version it provides. It is the intent that future versions of this standard will not assign different meanings to URLs that begin with :query-url:`/v` and an integer followed by other characters. Hence, a client can safely attempt to access a specific version of the API via the corresponding versioned base URL. For other forms of version negotiation, see section `Version Negotiation`_. Examples of valid versioned base URLs: - http://example.com/optimade/v0/ - http://example.com/v0.9.1/ - http://example.com/v1/ Examples of invalid versioned base URLs: - http://example.com/optimade/0.9/ - http://example.com/optimade/ Database providers SHOULD strive to implement the latest released version of this standard, as well as the latest patch version of any major and minor version they support. Note: The base URLs and versioned base URLs themselves are not considered part of the API, and the standard does not specify the response for a request to them. However, it is RECOMMENDED that implementations serve a human-readable HTML document on base URLs and versioned base URLs, which explains that the URL is an OPTIMADE URL meant to be queried by an OPTIMADE client. Unversioned base URL ~~~~~~~~~~~~~~~~~~~~ Implementations MAY also provide access to the API on the **unversioned base URL** as described in this subsection. Access via the unversioned URL is primarily intended for (i) convenience when manually interacting with the API, and (ii) to provide version agnostic permanent links to resource objects. Clients that perform automated processing of responses SHOULD access the API via versioned base URLs. Implementations serving the API on the unversioned base URL have a few alternative options: 1. Direct access MAY be provided to the full API. 2. Requests to endpoints under the unversioned base URL MAY be redirected using an HTTP 307 temporary redirect to the corresponding endpoints under a versioned base URL. 3. Direct access MAY be limited to only single entry endpoints (see section `Single Entry Endpoints`_), i.e., so that this form of access is only available for permanent links to resource objects. Implementations MAY combine direct access to single entry endpoints with redirects for other API queries. The client MAY provide a query parameter :query-param:`api_hint` to hint the server about a preferred API version. When this parameter is provided, the request is to be handled as described in section `Version Negotiation`_, which allows a "best suitable" version of the API to be selected to serve the request (or forward the request to). However, if :query-param:`api_hint` is not provided, the implementation SHOULD serve (or redirect to) its preferred version of the API (i.e., the latest, most mature, and stable version). In this case, that version MUST also be the first version in the response of the :endpoint:`versions` endpoint (see section `Versions Endpoint`_). **For implementers**: Before enabling access to the API on unversioned base URLs, implementers are advised to consider that an upgrade of the major version of the API served this way can change the behaviors of associated endpoints in ways that are not backward compatible. Version Negotiation ------------------- The OPTIMADE API provides three concurrent mechanisms for version negotiation between client and server. 1. The :endpoint:`versions` endpoint served directly under the unversioned base URL allows a client to discover all major API versions supported by a server in the order of preference (see section `Versions Endpoint`_). 2. A client can access the API under versioned base URLs. In this case, the server MUST respond according to the specified version or return an error if the version is not supported (see section `Versioned Base URLs`_). 3. When accessing the API under the unversioned base URL, clients are encouraged to append the OPTIONAL query parameter :query-param:`api_hint` to hint the server about a preferred API version for the request. This parameter is described in more detail below. The :query-param:`api_hint` query parameter MUST be accepted by all API endpoints. However, for endpoints under a versioned base URL the request MUST be served as usual according to the version specified in the URL path segment regardless of the value of :query-param:`api_hint`. In this case, the server MAY issue a warning if the value of :query-param:`api_hint` suggests that the query may not be properly supported. If the client provides the parameter, the value SHOULD have the format :val:`vMAJOR` or :val:`vMAJOR.MINOR`, where MAJOR is a major version and MINOR is a minor version of the API. For example, if a client appends :query-string:`api_hint=v1.0` to the query string, the hint provided is for major version 1 and minor version 0. If the server supports the major version indicated by the :query-param:`api_hint` parameter at the same or a higher minor version (if provided), it SHOULD serve the request using this version. If the server does not support the major version hinted, or if it supports the major version but only at a minor version below the one hinted, it MAY use the provided values to make a best-effort attempt at still serving the request, e.g., by invoking the closest supported version of the API. If the hinted version is not supported by the server and the request is not served using an alternative version, the server SHOULD respond with the custom HTTP server error status code :http-error:`553 Version Not Supported`. Note that the above protocol means that clients MUST NOT expect that a returned response is served according to the version that is hinted. **For end users**: Users are strongly encouraged to include the :query-param:`api_hint` query parameter for URLs in, e.g., journal publications for queries on endpoints under the unversioned base URL. The version hint will make it possible to serve such queries in a reasonable way even after the server changes the major API version used for requests without version hints. Index Meta-Database ------------------- A database provider MAY publish a special Index Meta-Database base URL. The main purpose of this base URL is to allow for automatic discoverability of all databases of the provider. Thus, it acts as a meta-database for the database provider's implementation(s). The index meta-database MUST only provide the :endpoint:`info` and :endpoint:`links` endpoints, see sections `Info Endpoints`_ and `Links Endpoint`_. It MUST NOT expose any entry listing endpoints (e.g., :endpoint:`structures`). These endpoints do not need to be queryable, i.e., they MAY be provided as static JSON files. However, they MUST return the correct and updated information on all currently provided implementations. The :field:`is_index` field under :field:`attributes` as well as the :field:`relationships` field, MUST be included in the :endpoint:`info` endpoint for the index meta-database (see section `Base Info Endpoint`_). The value for :field:`is_index` MUST be :field-val:`true`. A few suggestions and mandatory requirements of the OPTIMADE specification are specifically relaxed **only for index meta-databases** to make it possible to serve them in the form of static files on restricted third-party hosting platforms: - When serving an index meta-database in the form of static files, it is RECOMMENDED that the response excludes the subfields in the top-level :field:`meta` field that would need to be dynamically generated (as described in the section `JSON Response Schema: Common Fields`_.) The motivation is that static files cannot keep dynamic fields such as :field:`time_stamp` updated. - The `JSON:API specification `__ requirements on content negotiation using the HTTP headers :http-header:`Content-Type` and :http-header:`Accept` are NOT mandatory for index meta-databases. Hence, API Implementations MAY ignore the content of these headers and respond to all requests. The motivation is that static file hosting is typically not flexible enough to support these requirements on HTTP headers. - API implementations SHOULD serve JSON content with either the JSON:API mandated HTTP header :http-header:`Content-Type: application/vnd.api+json` or :http-header:`Content-Type: application/json`. However, if the hosting platform does not allow this, JSON content MAY be served with :http-header:`Content-Type: text/plain`. .. **Note**: A list of database and definition providers acknowledged by the **Open Databases Integration for Materials Design** consortium is maintained externally from this specification and can be retrieved as described in section `Namespace Prefixes`_. This list is also machine-readable, enabling the automatic discoverability of OPTIMADE API services. Namespace Prefixes ------------------ There are two mechanisms by which a provider can serve properties that are not standardized by the OPTIMADE specification. 1. By serving properties under a database-provider-specific namespace prefix. This is the preferred mechanism for serving properties that are specific to a particular database provider. 2. By adopting a property definition external to the specification by a definition provider. This is the preferred mechanism in cases where a database-specific field aligns with a field that is already defined by a definition provider, and can be used to enable aggregated filtering over all OPTIMADE APIs that support this property. A list of known database and definition providers and their assigned prefixes is published in the form of an OPTIMADE Index Meta-Database with base URL `https://providers.optimade.org `__. Visiting this URL in a web browser gives a human-readable description of how to retrieve the information in the form of a JSON file, and specifies the procedure for registration of new prefixes. A human-readable dashboard is also hosted at ``__. API implementations SHOULD NOT make up and use new prefixes without first getting them registered in the official list. **Examples**: - A database-provider-specific prefix: ``exmpl``. Used as a field name in a response: :field:`_exmpl_custom_field`. - A definition-provider prefix: ``dft``. Used as a field name in a response by multiple different providers: :field:`_dft_cell_volume` (note: this is a hypothetical example). The initial underscore indicates an identifier that is under a separate namespace under the ownership of that organization or definition provider. Identifiers prefixed with underscores will not be used for standardized names. Database-Provider-Specific Namespace Prefixes ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ This standard refers to database-provider-specific prefixes and database providers. Database-provider-specific fields only need to be consistent within the context of one particular database. Providers that serve multiple databases MAY use the same provider-specific field names with different meanings in different databases. For example, a provider may use the field :field:`_exmpl_band_gap` to mean a computed band gap in one their databases, and a measured band gap in another database. Database-provider-specific fields SHOULD be fully described at the relevant :endpoint:`/info/` endpoint (see section `Entry Listing Info Endpoints`_) Definition-Provider-Specific Namespace Prefixes ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ This standard refers to definition-provider-specific prefixes and definition providers. Definition providers MUST provide a canonical property definition for all custom fields they define using the OPTIMADE `Property Definitions`_ format. Definition providers MUST also list these definitions in the relevant :endpoint:`/info/` endpoint of the index meta-database for that provider. They MAY also provide human-readable webpages for their definitions. Definition-provider-specific fields MAY be fully described at the relevant :endpoint:`/info/` endpoint (see section `Entry Listing Info Endpoints`_), but can also rely on the canonical definitions provided by the definition provider, provided they return an ``$id`` for the field that resolves to the relevant OPTIMADE property definition. URL Encoding ------------ Clients SHOULD encode URLs according to :RFC:`3986`. API implementations MUST decode URLs according to :RFC:`3986`. Relationships ------------- The API implementation MAY describe many-to-many relationships between entries along with OPTIONAL human-readable descriptions that describe each relationship. These relationships can be to the same, or to different, entry types. Response formats have to encode these relationships in ways appropriate for each format. In the default response format, relationships are encoded as `JSON:API Relationships `__, see section `Entry Listing JSON Response Schema`_. **For implementers**: For database-specific response formats without a dedicated mechanism to indicate relationships, it is suggested that they are encoded alongside the entry properties. For each entry type, the relationships with entries of that type can then be encoded in a field with the name of the entry type, which are to contain a list of the IDs of the referenced entries alongside the respective human-readable description of the relationships. It is the intent that future versions of this standard uphold the viability of this encoding by not standardizing property names that overlap with the entry type names. Properties with an unknown value -------------------------------- Many databases allow specific data values to exist for some of the entries, whereas for others, no data value is present. This is referred to as the property having an *unknown* value, or equivalently, that the property value is :val:`null`. The text in this section describes how the API handles properties with the value :val:`null`. The use of :val:`null` values inside nested property values (such as, e.g., lists or dictionaries) are described in the definitions of those data structures elsewhere in the specification, see section `Entry List`_. For these properties, :val:`null` MAY carry a special meaning. REQUIRED properties with an unknown value MUST be included and returned in the response with the value :val:`null`. OPTIONAL properties with an unknown value, if requested explicitly via the :query-param:`response_fields` query parameter, MUST be included and returned in the response with the value :val:`null`. (For more info on the :query-param:`response_fields` query parameter, see section `Entry Listing URL Query Parameters`_.) The interaction of properties with an unknown value with query filters is described in the section `Filtering on Properties with an unknown value`_. In particular, filters with :filter-fragment:`IS UNKNOWN` and :filter-fragment:`IS KNOWN` can be used to match entries with values that are, or are not, unknown for some property, respectively. Handling unknown property names ------------------------------- When an implementation receives a request with a query filter that refers to an unknown property name it is handled differently depending on the database-specific prefix: * If the property name has no database-specific prefix, or if it has the database-specific prefix that belongs to the implementation itself, the error :http-error:`400 Bad Request` MUST be returned with a message indicating the offending property name. * If the property name has a database-specific prefix that does *not* belong to the implementation itself, it MUST NOT treat this as an error, but rather MUST evaluate the query with the property treated as unknown, i.e., comparisons are evaluated as if the property has the value :val:`null`. * Furthermore, if the implementation does not recognize the prefix at all, it SHOULD return a warning that indicates that the property has been handled as unknown. * On the other hand, if the prefix is recognized, i.e., as belonging to a known database provider, the implementation SHOULD NOT issue a warning but MAY issue diagnostic output with a note explaining how the request was handled. The rationale for treating properties from other databases as unknown rather than triggering an error is for OPTIMADE to support queries using database-specific properties that can be sent to multiple databases. For example, the following query can be sent to API implementations ``exmpl1`` and ``exmpl2`` without generating any errors: :filter:`filter=_exmpl1_band_gap<2.0 OR _exmpl2_band_gap<2.5` Transmission of large property values ------------------------------------- A property value may be too large to fit in a single response. OPTIMADE provides a mechanism for a client to handle such properties by fetching them in separate series of requests. It is up to the implementation to decide which values are too large to represent in a single response, and this decision MAY change between responses. In this case, the response to the initial query gives the value :val:`null` for the property. A list of one or more data URLs together with their respective partial data formats are given in the response. How this list is provided is response format-dependent. For the JSON response format, see the description of the :field:`partial_data_links` field, nested under :field:`data` and then :field:`meta`, in the section `JSON Response Schema: Common Fields`_. The default partial data format is named "jsonlines" and is described in the Appendix `OPTIMADE JSON Lines partial data format`_. An implementation SHOULD always include this format as one of the partial data formats provided for a property that has been omitted from the response to the initial query. Implementations MAY provide links to their own non-standard formats, but non-standard format names MUST be prefixed by a database-provider-specific prefix. Below follows an example of the :field:`data` and :field:`meta` parts of a response using the JSON response format. It communicates that the property value has been omitted from the response and includes three different links for different partial data formats provided. .. code:: jsonc { // ... "data": { "type": "structures", "id": "2345678", "attributes": { "a": null }, "meta": { "partial_data_links": { "a": [ { "format": "jsonlines", "link": "https://example.org/optimade/v1.2/extensions/partial_data/structures/2345678/a/default_format" }, { "format": "_exmpl_bzip2_jsonlines", "link": "https://db.example.org/assets/partial_values/structures/2345678/a/bzip2_format" }, { "format": "_exmpl_hdf5", "link": "https://cloud.example.org/ACCHSORJGIHWOSJZG" } ] } } } // ... } Metadata properties ------------------- A metadata property represents entry and property-specific metadata for a given entry. How these are communicated in the response depends on the response format. For the JSON response format, the metadata properties are stored in the resource object metadata field, :field:`meta` in a dictionary field :field:`property_metadata` with the keys equal to the names of the respective properties for which metadata is available, see `JSON Response Schema: Common Fields`_. The format of the metadata property is specified by the field :field:`x-optimade-metadata-definition` in the Property Definition of the field, see `Property Definitions`_. Database providers are allowed to define their own metadata properties in :field:`x-optimade-metadata-definition`, but they MUST use the database-provider-specific prefix even for metadata of database-specific fields. For example, the metadata property definition of the field :field:`_exmpl_example_field` MUST NOT define a metadata field named, e.g., :field:`accuracy`; the field rather needs to be named, e.g., :field:`_exmpl_accuracy`. The reason for this limitation is to avoid name collisions with metadata fields defined by the OPTIMADE standard in the future that apply also to database-specific data fields. Implementation of the :field:`meta` field is OPTIONAL, unless the server implements slicing, in which case it is MANDATORY (see `Slices of list properties`_). When an implementation supports the :field:`property_metadata` field, it SHOULD include metadata fields for all properties which have metadata and are present in the data part of the response. If the client includes the string ``property_metadata`` in the query parameter :query-param:`response_fields`, the server MUST include metadata fields for all properties which have metadata and are part of the response fields. Furthermore, if the server returns metadata for a property, it MUST be included in its entirety, i.e., including all non-null fields. Example of a response in the JSON response format with two structure entries that each include a metadata property for the attribute field :field:`elements_ratios` and the database-specific per entry metadata field :field:`_exmpl_originates_from_project`: .. code:: jsonc { "data": [ { "type": "structures", "id": "example.db:structs:0001", "attributes": { "elements_ratios":[0.33336, 0.22229, 0.44425] }, "meta": { "property_metadata": { "elements_ratios": { "_exmpl_originates_from_project": "piezoelectic_perovskites" } } } }, { "type": "structures", "id": "example.db:structs:1234", "attributes": { "elements_ratios":[0.5, 0.5] }, "meta": { "property_metadata":{ "elements_ratios": { "_exmpl_originates_from_project": "ferroelectric_binaries" } } } } //... ] // ... } Example of the corresponding metadata property definition contained in the field :field:`x-optimade-metadata-definition` which is placed in the property definition of :field:`elements_ratios`: .. code:: jsonc // ... "x-optimade-metadata-definition": { "title": "Metadata for the elements_ratios field", "description": "This field contains the per-entry metadata for the elements_ratios field.", "x-optimade-type": "dictionary", "x-optimade-unit": "inapplicable", "type": ["object", "null"], "properties" : { "_exmpl_originates_from_project": { "$id": "https://properties.example.com/v1.2.0/elements_ratios_meta/_exmpl_originates_from_project", "description" : "A string naming the internal example.com project id where this property was added to the database.", "x-optimade-type": "string", "x-optimade-unit" : "inapplicable", "type": ["string", "null"] } } } // ... Compact list representation --------------------------- There are cases in which the response includes lists that can be expressed in a more compact form than explicitly providing each value. For example, lists with constant values along a given axis (e.g., in the case of a trajectory with a fixed unit cell for all frames). To allow for efficient data transfer, some dimensions of selected properties are thus marked as **compactable** in the corresponding property definitions. This is achieved using the :field:`compactable` field inside the `x-optimade-dimensions` dictionary of the property definition. This field is a list of strings of the same length as the property dimension. Each string indicates if a dimension can be compacted and, if so, in which compact format, as detailed in the section of the `Property Definitions`_ describing the :field:`compactable` field. If a property has at least one dimension declared as compactable, the server MUST return it in the response in one of the two following ways: 1. using the standard rules. This means either giving the values (which can possibly be :val:`null`) at each position directly in the :field:`data` field of the response, or using the large property values protocol (see `Transmission of large property values`_); 2. using the **compact format** specified in the corresponding :field:`compactable` field (limited to the dimensions set as compactable). If none of the property dimensions are set as compactable, the server MUST always use the standard rules to represent the property. Clients MUST be able to handle responses with both compact and non-compact property formats in the same response. If a client finds a string in the :field:`compactable` field that it does not recognize (which may be defined by future versions of this specification), it MUST NOT attempt to interpret the corresponding property value. Compact formats ~~~~~~~~~~~~~~~ Currently, only one **compact format** is defined, represented by the string :val:`"constant"`, supporting lists consisting of constant values along a given axis. If the server adopts this compact format, the list MUST include only one value for that list axis. This value MUST be interpreted as the constant value of the list along that dimension. We highlight two advantages of the design of the :val:`"constant"` compact format representation: - it is still possible to use the same schemas to validate the list property, since the list dimensionality and the data type of its items are the same, both when explicitly writing all list items (using the standard rules) and when using the compact format; - even if in the future a compact format is implemented also in the large-property transfer protocol (described in the section `Transmission of large property values`_), using the approach described here (where data is directly provided in the :field:`data` section) avoids unnecessary separate requests for each individual property. Example: - A trajectory with a fixed unit cell for all frames could be represented as: .. code:: jsonc { "data":{ "id": "traj00000001", "type": "trajectories", "attributes": { "nframes": 5, "last_modified":"2021-07-16T18:02:03Z", "elements": [["H","O"]], "nelements": [2], "lattice_vectors" : [ [[4.0, 0.0, 0.0],[0.0, 4.0, 0.0],[0.0, 0.0, 4.0]] ], "_exmpl_timestep": [0.0, 1.0, 2.0, 3.0, 4.0], "cartesian_site_positions" : null, // ... }, //... } In this example, the properties :field:`elements`, :field:`nelements`, and :field:`lattice_vectors` are compacted along the first dimension (`dim_frames`) using the ``constant`` format. Since all these arrays have a size of 5 along this dimension (see value of :field:`nframes`), the client MUST interpret them as if the specified value is repeated 5 times. On the other hand, the :field:`_exmpl_timestep` property is not compacted, since it has different values for each frame. Moreover, the value of the :field:`cartesian_site_positions` property is omitted (with value :val:`null`, as the server deems it to be too large for a single response) and its content is instead transferred using the large property values protocol (see section `Transmission of large property values`_; for brevity we do not show here the content of the :field:`meta` field). The value to be repeated can either be a single item (as it is the case for :field:`nelements`, to be interpreted as :val:`[2, 2, 2, 2, 2]`) or a list. In the latter case, the whole list is repeated, as it is the case for :field:`elements` (to be interpreted as :val:`[["H","O"], ["H","O"], ["H","O"], ["H","O"], ["H","O"]]`) and the :field:`lattice_vectors` (to be interpreted as the repetition of the 3x3 matrix :val:`[[4.0, 0.0, 0.0],[0.0, 4.0, 0.0],[0.0, 0.0, 4.0]]` 5 times, i.e., a trajectory with the same lattice vectors for all 5 frames). Other compact formats might be introduced in future versions of this specification (e.g., constant values only in a range of indices, or linearly varying values). Slices of list properties ------------------------- The OPTIMADE standard defines a way for a client to request only a subset of the items of a list, referred to as a slice. The protocol for this functionality specifies how a server MAY support slicing lists independently per list axis. This functionality is separate from (but compatible with) the protocol described in `Transmission of large property values`_. The protocol for large property values is used by the server implementation to transmit a set of items that it deems too large to provide inside the normal OPTIMADE response. Slices, on the other hand, are used for a client to request a subset of any size of the items of a list, which can possibly (but not necessarily) result in such a large amount of values that the protocol for large property values is required to transmit them. **Client implementation note**: To determine which properties expose sliceable dimensions (and, more generally, the names of such dimensions), clients can request the corresponding property metadata by including ``property_metadata`` in the ``response_fields`` query parameter, together with the names of the properties of interest (see comments in `Metadata properties`_). The main mechanism is provided through the query parameter :query-param:`dimension_slices` defined in section `Single Entry URL Query Parameters`_. Information relating to the ability of the server to handle this query parameter and the relevant ranges of indexes is provided using the metadata property field :field:`list_axes` (see `Metadata properties`_). When the client request includes the query parameter :query-param:`dimension_slices`, the server MUST provide metadata for all properties for which including the subfield :field:`requested_slice` of the :field:`list_axes` is MANDATORY (see below). The field :field:`list_axes` is defined as follows: - :field:`list_axes`: List of Dictionary. A list of dictionaries which provide descriptive information related to the axes of a list property, including sliceable axes. Each item, in order, represents the list axis as declared in the corresponding property definition. Each item MUST be a dictionary with the following REQUIRED field: - :field:`dimension_name`: String. The dimension name of the corresponding list axis. If the request specifies the :query-param:`dimension_slices` query parameter for any of the list axes of this list property the following key MUST be present. However, if that query parameter is not specified, the key MUST either be omitted or set equal to :val:`null`: - :field:`requested_slice`: Dictionary. A metadata field that describes the requested slice that was provided via the query parameter :query-param:`dimension_slices`. The subfields MUST reflect the values provided via the :query-param:`dimension_slices`. In particular, the field is MANDATORY if the client request includes the :query-param:`dimension_slices` query parameter for this list axis. The implementation MUST preserve the values as given in the query parameter, including the distinction between specific values and default values even when they are equivalent (see example below). It MAY contain the following subfields that are defined according to the specification of a `slice object`_. - :field:`start`: Non-negative integer or :val:`null`. - :field:`stop`: Non-negative integer equal or greater to the :field:`start` value or :val:`null`. - :field:`step`: Positive integer or :val:`null`. A :val:`null` value for any of these fields means it has the default value defined for a `slice object`_. A missing value is equivalent to a :val:`null` value. (Consequently, the dictionary MAY be empty if all fields take the default values.) Examples: +------------------+----------------------------------------------------+----------------------------------------------+ | Query Type | Query Formulation | Valid Representations | +==================+====================================================+==============================================+ | fully formed | :query-string:`dimension_slices=dim_frames[3:5:2]` | ``{"start": 3, "stop": 5, "step": 2}`` | +------------------+----------------------------------------------------+----------------------------------------------+ | empty query with | :query-string:`dimension_slices=dim_frames[0::]` | ``{"start": 0}`` | | start | | | +------------------+----------------------------------------------------+----------------------------------------------+ | empty query | :query-string:`dimension_slices=dim_frames[::]` | ``{}`` | | | | | | | | ``{"start": null, "stop": null, "step": | | | | null}`` | | | | | | | | ``{"start": null}`` | | | | | | | | ``{"stop": null, "step": null}`` | +------------------+----------------------------------------------------+----------------------------------------------+ Note that any of the representations displayed above for the "empty query" are valid. Semantically, the two examples above "empty query" and the "empty query with start" are equivalent, but differ in representation. This is due to the starting index being explicitly specified in the "empty query with start" example. The need for this difference becomes apparent if the starting index takes on a value different from the default. The dictionary MAY contain the following fields: - :field:`length`: Integer. The length of this list axis which MUST be the same as the length of the declared dimension for this axis in the corresponding property definition. Note that the length of a dimension can be different for different entries if the length is not explicitly declared by the property definition. For example, the number of frames, i.e., the length of the dimension named ``dim_frames``, is generally different for different trajectories. - :field:`sliceable`: Boolean. If :val:`true`, the server MUST handle slices for that dimension. If :val:`false`, the server MAY handle slices for that dimension, but if it receives a slice request it cannot handle, it MUST return the error :http-error:`501 Not Implemented` when a client requests a slice involving this dimension. If a server is capable of handling slicing for a particular dimension, the server SHOULD indicate this by setting :field:`sliceable` to :val:`true` in its responses. If the field is omitted or :val:`null`, it means the same thing as :val:`false`. - :field:`available_slice`: Dictionary or :val:`null`. This metadata field describes a `slice object`_. By including this field, the server certifies that there MUST only be :val:`null` values outside this slice. Inside the slice there MAY be any combination of null and non-null values. If not provided, or equal to :val:`null` or an empty dictionary, the client cannot make any assumptions about what part of the list contains :val:`null` values. Examples: - ``{"start": 3, "stop": 7, "step": 2}`` means the server certifies that values at indexes 0, 1, 2, 4, 6 and any index from 8 to the end of the list are :val:`null`. Below follows an example of the :field:`data` and :field:`meta` parts of a response using the JSON response format for a request to the trajectory endpoint with the query parameter :query-param:`dimension_slices=dim_frames[3:37:5]` and :query-param:`response_fields=frame_cartesian_site_positions,_exmpl_temperature` where the trajectory consists of 432934 frames (with indexes 0 to 432933) and where the :field:`frame_cartesian_site_positions` contains 7 sites. Furthermore, the metadata subfield :field:`available_slice` in :field:`list_axes` in :field:`_exmpl_temperature` certifies that all values of the data field :field:`_exmpl_temperature` are :val:`null` except at indexes 1000, 1030, 1060, ..., 4000, where values can be either numeric or :val:`null`. .. code:: jsonc { // ... "data": { "type": "trajectories", "id": "2345678", "attributes": { "frame_cartesian_site_positions": null, "_exmpl_temperature": null }, "meta": { "property_metadata": { "frame_cartesian_site_positions": { "list_axes": [ { "dimension_name": "dim_frames", "requested_slice": { "start": 3, "stop": 37, "step": 5 }, "available_slice": { "start": 0, "stop": 432933, "step": 1 }, "sliceable": true, "length": 432934 }, { "dimension_name": "dim_sites", "available_slice": { "start": 0, "stop": 6, "step": 1 }, "sliceable": false, "length": 7 }, { "dimension_name": "dim_spatial", "length": 3 } ] }, "_exmpl_temperature": { "list_axes": [ { "dimension_name": "dim_frames", "requested_slice": { "start": 3, "stop": 37, "step": 5 }, "available_slice": { "start": 1000, "stop": 4000, "step": 30 }, "sliceable": true, "length": 432934 } ] } }, "partial_data_links": { //... } } } // ... } Responses ========= Response Format --------------- This section defines a JSON response format that complies with the `JSON:API v1.1 `__ specification. All endpoints of an API implementation MUST be able to provide responses in the JSON format specified below and MUST respond in this format by default. Each endpoint MAY support additional formats, and SHOULD declare these formats under the endpoint :endpoint:`/info/` (see section `Entry Listing Info Endpoints`_). Clients can request these formats using the :query-param:`response_format` URL query parameter. Specifying a :query-param:`response_format` different from :query-val:`json` (e.g. :query-string:`response_format=xml`) allows the API to break conformance not only with the JSON response format specification, but also, e.g., in terms of how content negotiation is implemented. Database-provider-specific and definition-provider-specific :query-param:`response_format` identifiers MUST include the corresponding prefix (see section `Namespace Prefixes`_). JSON Response Schema: Common Fields ----------------------------------- In the JSON response format, property types translate as follows: - **string**, **boolean**, **list** are represented by their similarly named counterparts in JSON. - **integer**, **float** are represented as the JSON number type. - **timestamp** uses a string representation of date and time as defined in `RFC 3339 Internet Date/Time Format `__. - **dictionary** is represented by the JSON object type. - **unknown** properties are represented by either omitting the property or by a JSON :field-val:`null` value. - Namespace-specific data types can use any of the above. Every response SHOULD contain the following fields, and MUST contain at least :field:`meta`: - **meta**: a `JSON:API meta member `__ that contains JSON:API meta objects of non-standard meta-information. It MUST be a dictionary with these fields: - **api\_version**: a string containing the full version of the API implementation. The version number string MUST NOT be prefixed by, e.g., "v". Examples: :field-val:`1.0.0`, :field-val:`1.0.0-rc.2`. - **query**: information on the query that was requested. It MUST be a dictionary with this field: - **representation**: a string with the part of the URL following the versioned or unversioned base URL that serves the API. Query parameters that have not been used in processing the request MAY be omitted. In particular, if no query parameters have been involved in processing the request, the query part of the URL MAY be excluded. Example: :field-val:`/structures?filter=nelements=2`. - **more\_data\_available**: :field-val:`false` if the response contains all data for the request (e.g., a request issued to a single entry endpoint, or a :query-param:`filter` query at the last page of a paginated response) and :field-val:`true` if the response is incomplete in the sense that multiple objects match the request, and not all of them have been included in the response (e.g., a query with multiple pages that is not at the last page). :field:`meta` SHOULD also include these fields: - **time\_stamp**: a timestamp containing the date and time at which the query was executed. - **data\_returned**: an integer containing the total number of data resource objects returned for the current :query-param:`filter` query, independent of pagination. - **provider**: information on the database provider of the implementation. It MUST be a dictionary with these fields: - **name**: a short name for the database provider. - **description**: a longer description of the database provider. - **prefix**: database-provider-specific prefix (see section `Database-Provider-Specific Namespace Prefixes`_). :field:`provider` MAY include these fields: - **homepage**: a `JSON API link `__, pointing to the homepage of the database provider, either directly as a string, or as an object which can contain the following fields: - **href**: a string containing the homepage URL. - **meta**: a meta object containing non-standard meta-information about the database provider's homepage. :field:`meta` MAY also include these fields: - **data\_available**: an integer containing the total number of data resource objects available in the database for the endpoint. - **last\_id**: a string containing the last ID returned. - **response\_message**: response string from the server. - **request\_delay**: a non-negative float giving time in seconds that the client is suggested to wait before issuing a subsequent request. Implementation note: the functionality of this field overlaps to some degree with features provided by the HTTP error :http-error:`429 Too Many Requests` and the `Retry-After HTTP header `__. Implementations are suggested to provide consistent handling of request overload through both mechanisms. - **database**: a dictionary describing the specific database accessible at this OPTIMADE API. If provided, the dictionary fields SHOULD match those provided in the corresponding links entry for the database in the provider's index meta-database, outlined in `Links Endpoint JSON Response Schema`_. The dictionary can contain the following OPTIONAL fields: - **id**: the identifier of this database within those served by this provider, i.e., the ID under which this database is served in this provider's index meta-database. - **name**: a human-readable name for the database, e.g., for use in clients. - **version**: a string describing the version of the database. - **description**: a human-readable description of the database, e.g., for use in clients. - **homepage**: a `JSON API link `__, pointing to a homepage for the particular database. - **maintainer**: a dictionary providing details about the maintainer of the database, which MUST contain the single field: - **email** with the maintainer's email address. - **implementation**: a dictionary describing the server implementation, containing the OPTIONAL fields: - **name**: name of the implementation. - **version**: version string of the current implementation. - **homepage**: a `JSON API link `__, pointing to the homepage of the implementation. - **source\_url**: a `JSON API link `__ pointing to the implementation source, either downloadable archive or version control system. - **maintainer**: a dictionary providing details about the maintainer of the implementation, MUST contain the single field: - **email** with the maintainer's email address. - **issue\_tracker**: a `JSON API link `__ pointing to the implementation's issue tracker. - **warnings**: a list of warning resource objects representing non-critical errors or warnings. A warning resource object is defined similarly to a `JSON:API error object `__, but MUST also include the field :field:`type`, which MUST have the value :field-val:`"warning"`. The field :field:`detail` MUST be present and SHOULD contain a non-critical message, e.g., reporting unrecognized search attributes or deprecated features. The field :field:`status`, representing an HTTP response status code, MUST NOT be present for a warning resource object. This is an exclusive field for error resource objects. Example for a deprecation warning: .. code:: jsonc { "id": "dep_chemical_formula_01", "type": "warning", "code": "_exmpl_dep_chemical_formula", "title": "Deprecation Warning", "detail": "chemical_formula is deprecated, use instead chemical_formula_hill" } **Note**: warning :field:`id`\ s MUST NOT be trusted to identify the exceptional situations (i.e., they are not error codes), use instead the field :field:`code` for this. Warning :field:`id`\ s can *only* be trusted to be unique in the list of warning resource objects, i.e., together with the :field:`type`. General OPTIMADE warning codes are specified in section `Warnings`_. - Other OPTIONAL additional information *global to the query* that is not specified in this document, MUST start with a database-provider-specific prefix (see section `Database-Provider-Specific Namespace Prefixes`_). - Example for a request made to :query-url:`http://example.com/optimade/v1/structures/?filter=a=1 AND b=2`: .. code:: jsonc { "meta": { "query": { "representation": "/structures/?filter=a=1 AND b=2" }, "api_version": "1.0.0", "schema": "http://schemas.optimade.org/openapi/v1/optimade.json", "time_stamp": "2007-04-05T14:30:20Z", "data_returned": 10, "data_available": 10, "more_data_available": false, "provider": { "name": "Example provider", "description": "Provider used for examples, not to be assigned to a real database", "prefix": "exmpl", "homepage": "http://example.com" }, "implementation": { "name": "exmpl-optimade", "version": "0.1.0", "source_url": "http://git.example.com/exmpl-optimade", "maintainer": { "email": "admin@example.com" }, "issue_tracker": "http://tracker.example.com/exmpl-optimade" }, "database": { "id": "example_db", "name": "Example database 1 (of many)", "description": "The first example database in a series hosted by the Example Provider.", "homepage": "http://database_one.example.com", "maintainer": { "email": "science_lead@example.com" } } } // ... } - **schema**: a `JSON:API links object `__ that points to a schema for the response. If it is a string, or a dictionary containing no :field:`meta` field, the provided URL MUST point at an `OpenAPI `__ schema. It is possible that future versions of this specification allow for alternative schema types. Hence, if the :field:`meta` field of the JSON:API links object is provided and contains a field :field:`schema_type` that is not equal to the string :field-val:`OpenAPI` the client MUST NOT handle failures to parse the schema or to validate the response against the schema as errors. **Note**: The :field:`schema` field was previously RECOMMENDED in all responses, but is now demoted to being OPTIONAL since there now is a standard way of specifying a response schema in JSON:API through the :field:`describedby` subfield of the top-level :field:`links` field. - **data**: The schema of this value varies by endpoint, it can be either a *single* `JSON:API resource object `__ or a *list* of JSON:API resource objects. Every resource object needs the :field:`type` and :field:`id` fields, and its attributes (described in section `API Endpoints`_) need to be in a dictionary corresponding to the :field:`attributes` field. Every resource object MAY also contain a :field:`meta` field which MAY contain the following keys: - **property_metadata**: an object containing per-entry and per-property metadata. The keys are the names of the fields in :field:`attributes` for which metadata is available. The values belonging to these keys are dictionaries containing the relevant metadata fields. See also `Metadata properties`_ - **partial_data_links**: an object used to list links which can be used to fetch data that has been omitted from the :field:`data` part of the response. The keys are the names of the fields in :field:`attributes` for which partial data links are available. Each value is a list of objects that MUST have the following keys: - **format**: String. The name of the format provided via this link. For one of the objects this :field:`format` field SHOULD have the value "jsonlines", which refers to the format in `OPTIMADE JSON Lines partial data format`_. - **link**: String. A `JSON API link `__ that points to a location from which the omitted data can be fetched. There is no requirement on the syntax or format for the link URL. For more information about the mechanism to transmit large property values, including an example of the format of :field:`partial_data_links`, see `Transmission of large property values`_. The response MAY also return resources related to the primary data in the field: - **links**: a `JSON API links object `__ is REQUIRED for implementing pagination. (see section `Entry Listing URL Query Parameters`_.) Each field of a links object, i.e., a "link", MUST be one of: - :field-val:`null` - a string representing a URI, or - a dictionary ("link object") with fields - **href**: a string representing a URI - **meta**: (OPTIONAL) a meta object containing non-standard meta-information about the link Example links objects: - **base\_url**: a links object representing the base URL of the implementation. Example: .. code:: jsonc { "links": { "base_url": { "href": "http://example.com/optimade", "meta": { "_exmpl_db_version": "3.2.1" } } // ... } // ... } The :field:`links` field SHOULD include the following links objects: - **describedby**: a links object giving the URL for a schema that describes the response. The URL SHOULD resolve into a JSON formatted response returning a JSON object with top level :field:`$schema` and/or :field:`$id` fields that can be used by the client to identify the schema format. **Note**: This field is the standard facility in JSON:API to communicate a response schema. It overlaps in function with the field :field:`schema` in the top level :field:`meta` field. The following fields are REQUIRED for implementing pagination: - **next**: represents a link to fetch the next set of results. When the current response is the last page of data, this field MUST be either omitted or :field-val:`null`\ -valued. An implementation MAY also use the following reserved fields for pagination. They represent links in a similar way as for :field:`next`. - **prev**: the previous page of data. :field-val:`null` or omitted when the current response is the first page of data. - **last**: the last page of data. - **first**: the first page of data. Finally, the :field:`links` field MAY also include the following links object: - **self**: a links object giving the URL from which the response was obtained. - **included**: a list of `JSON:API resource objects `__ related to the primary data contained in :field:`data`. Responses that contain related resources under :field:`included` are known as `compound documents `__ in the JSON:API. The definition of this field is found in the `JSON:API specification `__. Specifically, if the query parameter :query-param:`include` is included in the request, :field:`included` MUST NOT include unrequested resource objects. For further information on the parameter :query-param:`include`, see section `Entry Listing URL Query Parameters`_. This value MUST be either an empty array or an array of related resource objects. If there were errors in producing the response all other fields MAY be present, but the top-level :field:`data` field MUST be skipped, and the following field MUST be present: - **errors**: a list of `JSON:API error objects `__, where the field :field:`detail` MUST be present. All other fields are OPTIONAL. An example of a full response: .. code:: jsonc { "links": { "next": null, "base_url": { "href": "http://example.com/optimade", "meta": { "_exmpl_db_version": "3.2.1" } } }, "meta": { "query": { "representation": "/structures?filter=a=1 AND b=2" }, "api_version": "1.0.0", "time_stamp": "2007-04-05T14:30:20Z", "data_returned": 10, "data_available": 10, "last_id": "xy10", "more_data_available": false, "provider": { "name": "Example provider", "description": "Provider used for examples, not to be assigned to a real database", "prefix": "exmpl", "homepage": { "href": "http://example.com", "meta": { "_exmpl_title": "This is an example site" } } }, // }, "data": [ // ... ], "included": [ // ... ] } - **@context**: A JSON-LD context that enables interpretation of data in the response as linked data. If provided, it SHOULD be one of the following: - An object conforming to a JSON-LD standard, which includes a :field:`@version` field specifying the version of the standard. - A string containing a URL that resolves to such an object. - **jsonapi**: A `JSON:API object `__. The :field:`version` subfield SHOULD be :field-val:`"1.1"`. The :field:`meta` subfield SHOULD be included and contain the following subfields: - **api**: A string with the value "OPTIMADE". - **api-version**: A string with the full version of the OPTIMADE standard that the processing and response adheres to. This MAY be the version indicated at the top of this document, but MAY also be another version if the client, e.g., has used the query parameter :query-param:`api_hint` to request processing according to another version. If the server is able to handle serialization in such a way that it can dictate the order of the top level object members in the response, it is RECOMMENDED to put the :field:`jsonapi` as the first top level member to simplify identification of the response. HTTP Response Status Codes -------------------------- All HTTP response status codes MUST conform to `RFC 7231: HTTP Semantics `__. The code registry is maintained by IANA and can be found `here `__. See also the JSON:API definitions of responses when `fetching `__ data, i.e., sending an HTTP GET request. **Important**: If a client receives an unexpected 404 error when making a query to a base URL, and is aware of the index meta-database that belongs to the database provider (as described in section `Index Meta-Database`_), the next course of action SHOULD be to fetch the resource objects under the :endpoint:`links` endpoint of the index meta-database and redirect the original query to the corresponding database ID that was originally queried, using the object's :field:`base_url` value. HTTP Response Headers --------------------- There are relevant use-cases for allowing data served via OPTIMADE to be accessed from in-browser JavaScript, e.g. to enable server-less data aggregation. For such use, many browsers need the server to include the header :http-header:`Access-Control-Allow-Origin: *` in its responses, which indicates that in-browser JavaScript access is allowed from any site. Warnings -------- Non-critical exceptional situations occurring in the implementation SHOULD be reported to the referrer as warnings. Warnings MUST be expressed as a human-readable message, OPTIONALLY coupled with a warning code. Warning codes starting with an alphanumeric character are reserved for general OPTIMADE error codes (currently, none are specified). For implementation-specific warnings, they MUST start with ``_`` and the database-provider-specific prefix of the implementation (see section `Database-Provider-Specific Namespace Prefixes`_). API Endpoints ============= Access to API endpoints as described in the subsections below are to be provided under the versioned and/or the unversioned base URL as explained in the section `Base URL`_. The endpoints are: - a :endpoint:`versions` endpoint - an "entry listing" endpoint - a "single entry" endpoint - an introspection :endpoint:`info` endpoint - an "entry listing" introspection :endpoint:`info` endpoint - a :endpoint:`links` endpoint to discover related implementations - a custom :endpoint:`extensions` endpoint prefix These endpoints are documented below. Query parameters ---------------- Query parameters to the endpoints are documented in the respective subsections below. However, in addition, all API endpoints MUST accept the :query-param:`api_hint` parameter described under `Version Negotiation`_. Versions Endpoint ----------------- The :endpoint:`versions` endpoint aims at providing a stable and future-proof way for a client to discover the major versions of the API that the implementation provides. This endpoint is special in that it MUST be provided directly on the unversioned base URL at :query-url:`/versions` and MUST NOT be provided under the versioned base URLs. The response to a query to this endpoint is in a restricted subset of the :RFC:`4180` CSV (`text/csv; header=present`) format. The restrictions are: (i) field values and header names MUST NOT contain commas, newlines, or double quote characters; (ii) Field values and header names MUST NOT be enclosed by double quotes; (iii) The first line MUST be a header line. These restrictions allow clients to parse the file line-by-line, where each line can be split on all occurrences of the comma ',' character to obtain the head names and field values. In the present version of the API, the response contains only a single field that is used to list the major versions of the API that the implementation supports. The CSV format header line MUST specify :val:`version` as the name for this field. However, clients MUST accept responses that include other fields that follow the version. The major API versions in the response are to be ordered according to the preference of the API implementation. If a version of the API is served on the unversioned base URL as described in the section `Base URL`_, that version MUST be the first value in the response (i.e., it MUST be on the second line of the response directly following the required CSV header). It is the intent that all future versions of this specification retain this endpoint, its restricted CSV response format, and the meaning of the first field of the response. Example response: .. code:: CSV version 1 0 The above response means that the API versions 1 and 0 are served under the versioned base URLs :query-url:`/v1` and :query-url:`/v0`, respectively. The order of the versions indicates that the API implementation regards version 1 as preferred over version 0. If the API implementation allows access to the API on the unversioned base URL, this access has to be to version 1, since the number 1 appears in the first (non-header) line. Entry Listing Endpoints ----------------------- Entry listing endpoints return a list of resource objects representing entries of a specific type. For example, a list of structures, or a list of calculations. Each entry in the list includes a set of properties and their corresponding values. The section `Entry list`_ specifies properties as belonging to one of three categories: 1. Properties marked as REQUIRED in the response. These properties MUST always be present for all entries in the response. 2. Properties marked as REQUIRED only if the query parameter :query-param:`response_fields` is not part of the request, or if they are explicitly requested in :query-param:`response_fields`. Otherwise they MUST NOT be included. One can think of these properties as constituting a default value for :query-param:`response_fields` when that parameter is omitted. 3. Properties not marked as REQUIRED in any case, MUST be included only if explicitly requested in the query parameter :query-param:`response_fields`. Otherwise they SHOULD NOT be included. Examples of valid entry listing endpoint URLs: - http://example.com/optimade/v1/structures - http://example.com/optimade/v1/calculations There MAY be multiple entry listing endpoints, depending on how many types of entries an implementation provides. Specific standard entry types are specified in section `Entry list`_. The API implementation MAY provide other entry types than the ones standardized in this specification. Such entry types MUST be prefixed by a database-provider-specific prefix (i.e., the resource objects' :property:`type` value should start with the database-provider-specific prefix, e.g., :property:`type` = :val:`_exmpl_workflows`). Each custom entry type SHOULD be served at a corresponding entry listing endpoint under the versioned or unversioned base URL that serves the API with the same name (i.e., equal to the resource objects' :property:`type` value, e.g., :endpoint:`/_exmpl_workflows`). It is RECOMMENDED to align with the OPTIMADE API specification practice of using a plural for entry resource types and entry type endpoints. Any custom entry listing endpoint MUST also be added to the :property:`available_endpoints` and :property:`entry_types_by_format` attributes of the `Base Info Endpoint`_. For more on custom endpoints, see `Custom Extension Endpoints`_. Entry Listing URL Query Parameters ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ The client MAY provide a set of URL query parameters in order to alter the response and provide usage information. While these URL query parameters are OPTIONAL for clients, API implementations MUST accept and handle them. To adhere to the requirement on implementation-specific URL query parameters of `JSON:API v1.1 `__, query parameters that are not standardized by that specification have been given names that consist of at least two words separated by an underscore (a LOW LINE character '\_'). Standard OPTIONAL URL query parameters standardized by the JSON:API specification: - **filter**: a filter string, in the format described below in section `API Filtering Format Specification`_. - **page\_limit**: sets a numerical limit on the number of entries returned. See `JSON:API 1.1 `__. The API implementation MUST return no more than the number specified. It MAY return fewer. The database MAY have a maximum limit and not accept larger numbers (in which case the :http-error:`403 Forbidden` error code MUST be returned). The default limit value is up to the API implementation to decide. Example: :query-url:`http://example.com/optimade/v1/structures?page_limit=100` - **page\_{offset, number, cursor, above, below}**: A server MUST implement pagination in the case of no user-specified :query-param:`sort` parameter (via the :field:`links` response field, see section `JSON Response Schema: Common Fields`_). A server MAY implement pagination in concert with :query-param:`sort`. The following parameters, all prefixed by "page\_", are RECOMMENDED for use with pagination. If an implementation chooses - *offset-based pagination*: using :field:`page_offset` and :field:`page_limit` is RECOMMENDED. - *cursor-based pagination*: using :field:`page_cursor` and :field:`page_limit` is RECOMMENDED. - *page-based pagination*: using :field:`page_number` and :field:`page_limit` is RECOMMENDED. It is RECOMMENDED that the first page has number 1, i.e., that :field:`page_number` is 1-based. - *value-based pagination*: using :field:`page_above`/:field:`page_below` and :field:`page_limit` is RECOMMENDED. Examples (all OPTIONAL behavior a server MAY implement): - skip 50 structures and fetch up to 100: :query-url:`/structures?page_offset=50&page_limit=100`. - fetch page 2 of up to 50 structures per page: :query-url:`/structures?page_number=2&page_limit=50`. - fetch up to 100 structures above sort-field value 4000 (in this example, server chooses to fetch results sorted by increasing :field:`id`, so :field:`page_above` value refers to an :field:`id` value): :query-url:`/structures?page_above=4000&page_limit=100`. - **sort**: If supporting sortable queries, an implementation MUST use the :query-param:`sort` query parameter with format as specified by `JSON:API 1.1 `__. An implementation MAY support multiple sort fields for a single query. If it does, it again MUST conform to the JSON:API 1.1 specification. If an implementation supports sorting for an `entry listing endpoint `_, then the :endpoint:`/info/` endpoint MUST include, for each field name :field:`` in its :field:`data.properties.` response value that can be used for sorting, the key :field:`sortable` with value :field-val:`true`. If a field name under an entry listing endpoint supporting sorting cannot be used for sorting, the server MUST either leave out the :field:`sortable` key or set it equal to :field-val:`false` for the specific field name. The set of field names, with :field:`sortable` equal to :field-val:`true` are allowed to be used in the "sort fields" list according to its definition in the JSON:API 1.1 specification. The field :field:`sortable` is in addition to each property description and other OPTIONAL fields. An example is shown in section `Entry Listing Info Endpoints`_. - **include**: A server MAY implement the JSON:API concept of returning `compound documents `__ by utilizing the :query-param:`include` query parameter as specified by `JSON:API 1.0 `__. All related resource objects MUST be returned as part of an array value for the top-level :field:`included` field, see section `JSON Response Schema: Common Fields`_. The value of :query-param:`include` MUST be a comma-separated list of "relationship paths", as defined in the `JSON:API `__. If relationship paths are not supported, or a server is unable to identify a relationship path a :http-error:`400 Bad Request` response MUST be made. The **default value** for :query-param:`include` is :query-val:`references`. This means :entry:`references` entries MUST always be included under the top-level field :field:`included` as default, since a server assumes if :query-param:`include` is not specified by a client in the request, it is still specified as :query-string:`include=references`. Note, if a client explicitly specifies :query-param:`include` and leaves out :query-val:`references`, :entry:`references` resource objects MUST NOT be included under the top-level field :field:`included`, as per the definition of :field:`included`, see section `JSON Response Schema: Common Fields`_. **Note**: A query with the parameter :query-param:`include` set to the empty string means no related resource objects are to be returned under the top-level field :field:`included`. Standard OPTIONAL URL query parameters not in the JSON:API specification: - **response\_format**: the output format requested (see section `Response Format`_). Defaults to the format string 'json', which specifies the standard output format described in this specification. Example: :query-url:`http://example.com/optimade/v1/structures?response_format=xml` - **email\_address**: an email address of the user making the request. The email SHOULD be that of a person and not an automatic system. Example: :query-url:`http://example.com/optimade/v1/structures?email_address=user@example.com` - **response\_fields**: a comma-delimited set of fields to be provided in the output. If provided, these fields MUST be returned along with the REQUIRED fields. Other OPTIONAL fields MUST NOT be returned when this parameter is present. Example: :query-url:`http://example.com/optimade/v1/structures?response_fields=last_modified,nsites` Additional OPTIONAL URL query parameters not described above are not considered to be part of this standard, and are instead considered to be "custom URL query parameters". These custom URL query parameters MUST be of the format "". These names adhere to the requirements on implementation-specific query parameters of `JSON:API v1.1 `__ since the database-provider-specific prefixes contain at least two underscores (a LOW LINE character '\_'). If the server receives an unrecognized query parameter that does not adhere to this format it MUST return the error :http-error:`400 Bad Request`. Example uses of custom URL query parameters include providing an access token for the request, to tell the database to increase verbosity in error output, or providing a database-specific extended searching format. Examples: - :query-url:`http://example.com/optimade/v1/structures?_exmpl_key=A3242DSFJFEJE` - :query-url:`http://example.com/optimade/v1/structures?_exmpl_warning_verbosity=10` - :query-url:`http://example.com/optimade/v1/structures?_exmpl_filter="elements all in [Al, Si, Ga]"` **Note**: the specification presently makes no attempt to standardize access control mechanisms. There are security concerns with access control based on URL tokens, and the above example is not to be taken as a recommendation for such a mechanism. Entry Listing JSON Response Schema ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ "Entry listing" endpoint response dictionaries MUST have a :field:`data` key. The value of this key MUST be a list containing dictionaries that represent individual entries. In the default JSON response format every dictionary (`resource object `__) MUST have the following fields: - **type**: field containing the Entry type as defined in section `Definition of Terms`_ - **id**: field containing the ID of entry as defined in section `Definition of Terms`_. This can be the local database ID. - **attributes**: a dictionary, containing key-value pairs representing the entry's properties, except for :property:`type` and :property:`id`. Database-provider-specific and definition-provider-specific properties MUST include the corresponding prefix (see section `Namespace Prefixes`_). OPTIONALLY it can also contain the following fields: - **links**: a `JSON:API links object `__ can OPTIONALLY contain the field - **self**: the entry's URL - **meta**: a `JSON API meta object `__ that is used to communicate metadata. See `JSON Response Schema: Common Fields`_ for more information about this field. - **relationships**: a dictionary containing references to other entries according to the description in section `Relationships`_ encoded as `JSON:API Relationships `__. All relationships to entries of the same entry type MUST be grouped into the same JSON:API relationship object and placed in the relationships dictionary with the entry type name as key (e.g., :entry:`structures`). Every JSON:API resource identifier object MAY contain the following OPTIONAL keys inside its :field:`meta` dictionary: - :field:`description`: a human-readable description of the relationship - :field:`role`: a string defining the kind of relationship between the related entries. Possible roles between each pair of entry types are defined under `Entry List`_. Example: .. code:: jsonc { "data": [ { "type": "structures", "id": "example.db:structs:0001", "attributes": { "chemical_formula_descriptive": "Es2 O3", "url": "http://example.db/structs/0001", "immutable_id": "http://example.db/structs/0001@123", "last_modified": "2007-04-05T14:30:20Z" } }, { "type": "structures", "id": "example.db:structs:1234", "attributes": { "chemical_formula_descriptive": "Es2", "url": "http://example.db/structs/1234", "immutable_id": "http://example.db/structs/1234@123", "last_modified": "2007-04-07T12:02:20Z" } } // ... ] // ... } Single Entry Endpoints ---------------------- A client can request a specific entry by appending a URL-encoded ID path segment to the URL of an entry listing endpoint. This will return properties for the entry with that ID. In the default JSON response format, the ID component MUST be the content of the :field:`id` field. Examples: - :query-url:`http://example.com/optimade/v1/structures/exmpl%3Astruct_3232823` - :query-url:`http://example.com/optimade/v1/calculations/232132` The rules for which properties are to be present for an entry in the response are the same as defined in section `Entry Listing Endpoints`_. Single Entry URL Query Parameters ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ The client MAY provide a set of additional URL query parameters for this endpoint type. URL query parameters not recognized MUST be ignored. While the following URL query parameters are OPTIONAL for clients, API implementations MUST accept and handle them: :query-param:`response_format`, :query-param:`email_address`, :query-param:`response_fields`. The URL query parameter :query-param:`include` is OPTIONAL for both clients and API implementations. The meaning of these URL query parameters are as defined above in section `Entry Listing URL Query Parameters`_. One additional query parameter :query-param:`dimension_slices` MUST be handled by the API implementation either as defined below or by returning the error :http-error:`501 Not Implemented`: - **dimension\_slices**: A number of slice specifications to request only parts of list properties for the functionality described in `Slices of list properties`_. The query parameter contains a comma-separated (",", ASCII symbol 44 dec) list of slice specifications. Each slice specification consists of a dimension name followed by the left square bracket character ("[", ASCII symbol 91 dec), a slice, and the right square bracket character ("]", ASCII symbol 93 dec). The slice is given as an ordered sequence of three components separated by the colon character (":", ASCII symbol 58 dec). The elements in the sequence are the start, stop, and step values defined in the same way as for a `slice object`_. Omitting the value for any of the components of the slice specifies a default value (however, all the colon separators MUST be included). The start value specifies the first index in that dimension for which values should be returned (which is 0-based and inclusive). The default is :val:`0`. The stop value specifies the last index for which values should be returned (inclusive). The default is :val:`null`, which represents the last index of the list along the specified dimension. The step value specifies the step size in that dimension. The default is :val:`1`. An empty value of the :query-param:`dimension_slices` query parameter MUST be interpreted as equivalent to the query parameter not being included in the request. As a consequence, the server will not slice any properties. Requirements and conventions for the response when this query parameter is used are described in `Slices of list properties`_. Example: - :query-url:`http://optimade.example.com/v1/trajectories/id_12345?response_fields=cartesian_site_positions&dimension_slices=dim_frames[:999:10],dim_sites[30:70:]` This query URL requests items from the trajectory with ID :val:`id_12345`. It requests items from the list :field:`cartesian_site_positions` for this trajectory. The items that are requested are for only the 31st to 71st sites (i.e., with indexes 30 through 70 inclusive) for 1 out of every 10 frames of the first 1000 frames (i.e., taking steps of 10 over indexes 0 through 999 inclusive, which requests the frames with indexes 0, 10, 20, 30, ..., 990). Single Entry JSON Response Schema ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ The response for a 'single entry' endpoint is the same as for 'entry listing' endpoint responses, except that the value of the :field:`data` field MUST have only one or zero entries. In the default JSON response format, this means the value of the :field:`data` field MUST be a single response object or :field-val:`null` if there is no response object to return. Example: .. code:: jsonc { "data": { "type": "structures", "id": "example.db:structs:1234", "attributes": { "chemical_formula_descriptive": "Es2", "url": "http://example.db/structs/1234", "immutable_id": "http://example.db/structs/1234@123", "last_modified": "2007-04-07T12:02:20Z" } }, "meta": { "query": { "representation": "/structures/example.db:structs:1234?" } // ... } // ... } Info Endpoints -------------- Info endpoints provide introspective information, either about the API implementation itself, or about specific entry types. There are two types of info endpoints: 1. Base info endpoints: placed directly under the versioned or unversioned base URL that serves the API (e.g., http://example.com/optimade/v1/info or http://example.com/optimade/info) 2. Entry listing info endpoints: placed under the endpoints belonging to specific entry types (e.g., http://example.com/optimade/v1/info/structures or http://example.com/optimade/info/structures) The types and output content of these info endpoints are described in more detail in the subsections below. Common for them all are that the :field:`data` field SHOULD return only a single resource object. If no resource object is provided, the value of the :field:`data` field MUST be :field-val:`null`. Base Info Endpoint ~~~~~~~~~~~~~~~~~~ The Info endpoint under a versioned or unversioned base URL serving the API (e.g. http://example.com/optimade/v1/info or http://example.com/optimade/info) returns information relating to the API implementation. The single resource object's response dictionary MUST include the following fields: - **type**: :field-val:`"info"` - **id**: :field-val:`"/"` - **attributes**: Dictionary containing the following fields: - **api\_version**: Presently used full version of the OPTIMADE API. The version number string MUST NOT be prefixed by, e.g., "v". Examples: :field-val:`1.0.0`, :field-val:`1.0.0-rc.2`. - **available\_api\_versions**: MUST be a list of dictionaries, each containing the fields: - **url**: a string specifying a versioned base URL that MUST adhere to the rules in section `Base URL`_ - **version**: a string containing the full version number of the API served at that versioned base URL. The version number string MUST NOT be prefixed by, e.g., "v". Examples: :field-val:`1.0.0`, :field-val:`1.0.0-rc.2`. - **formats**: List of available output formats. - **entry\_types\_by\_format**: Available entry endpoints as a function of output formats. - **available\_endpoints**: List of available endpoints (i.e., the string to be appended to the versioned or unversioned base URL serving the API). - **license**: A `JSON API link `__ giving a URL to a web page containing a human-readable text describing the license (or licensing options if there are multiple) covering all the data and metadata provided by this database. Clients are advised not to try automated parsing of this link or its content, but rather rely on the field :field:`available_licenses` instead. Example: :field-val:`https://example.com/licenses/example_license.html`. :field:`attributes` MAY also include the following OPTIONAL fields: - **is\_index**: if :field-val:`true`, this is an index meta-database base URL (see section `Index Meta-Database`_). If this member is *not* provided, the client MUST assume this is **not** an index meta-database base URL (i.e., the default is for :field:`is_index` to be :field-val:`false`). - **available\_licenses**: List of `SPDX license identifiers `__ specifying a set of alternative licenses available to the client for licensing the complete database, i.e., all the entries, metadata, and the content and structure of the database itself. If more than one license is available to the client, the identifier of each one SHOULD be included in the list. Inclusion of a license identifier in the list is a commitment of the database that the rights are in place to grant clients access to all the individual entries, all metadata, and the content and structure of the database itself according to the terms of any of these licenses (at the choice of the client). If the licensing information provided via the field :field:`license` omits licensing options specified in :field:`available_licenses`, or if it otherwise contradicts them, a client MUST still be allowed to interpret the inclusion of a license in :field:`available_licenses` as a full commitment from the database without exceptions, under the respective licenses. If the database cannot make that commitment, e.g., if only part of the database is available under a license, the corresponding license identifier MUST NOT appear in :field:`available_licenses` (but, rather, the field :field:`license` is to be used to clarify the licensing situation.) An empty list indicates that none of the SPDX licenses apply and that the licensing situation is clarified in human readable form in the field :field:`license`. An unknown value means that the database makes no commitment. - **available\_licenses\_for\_entries**: List of `SPDX license identifiers `__ specifying a set of additional alternative licenses available to the client for licensing individual, and non-substantial sets of, database entries, metadata, and extracts from the database that do not constitute substantial parts of the database. Note that the definition of the field :field:`available_licenses` implies that licenses specified in that field are available also for the licensing specified by this field, even if they are not explicitly included in the field :field:`available_licenses_for_entries` or if it is :val:`null` (however, the opposite relationship does not hold). If :field:`available_licenses` is unknown, only the licenses in :field:`available_licenses_for_entries` apply. If this is an index meta-database base URL (see section `Index Meta-Database`_), then the response dictionary MUST also include the field: - **relationships**: Dictionary that MAY contain a single `JSON:API relationships object `__: - **default**: Reference to the links identifier object under the :endpoint:`links` endpoint that the provider has chosen as their "default" OPTIMADE API database. A client SHOULD present this database as the first choice when an end-user chooses this provider. This MUST include the field: - **data**: `JSON:API resource linkage `__. It MUST be either :field-val:`null` or contain a single links identifier object with the fields: - **type**: :field-val:`links` - **id**: ID of the provider's chosen default OPTIMADE API database. MUST be equal to a valid child object's :field:`id` under the :field:`links` endpoint. Lastly, :field:`is_index` MUST also be included in :field:`attributes` and be :field-val:`true`. Example: .. code:: jsonc { "data": { "type": "info", "id": "/", "attributes": { "api_version": "1.0.0", "available_api_versions": [ {"url": "http://db.example.com/optimade/v0/", "version": "0.9.5"}, {"url": "http://db.example.com/optimade/v0.9/", "version": "0.9.5"}, {"url": "http://db.example.com/optimade/v0.9.2/", "version": "0.9.2"}, {"url": "http://db.example.com/optimade/v0.9.5/", "version": "0.9.5"}, {"url": "http://db.example.com/optimade/v1/", "version": "1.0.0"}, {"url": "http://db.example.com/optimade/v1.0/", "version": "1.0.0"} ], "formats": [ "json", "xml" ], "entry_types_by_format": { "json": [ "structures", "trajectories", "calculations" ], "xml": [ "structures" ] }, "available_endpoints": [ "structures", "trajectories", "calculations", "info", "links" ], "is_index": false } } // ... } Example for an index meta-database: .. code:: jsonc { "data": { "type": "info", "id": "/", "attributes": { "api_version": "1.0.0", "available_api_versions": [ {"url": "http://db.example.com/optimade/v0/", "version": "0.9.5"}, {"url": "http://db.example.com/optimade/v0.9/", "version": "0.9.5"}, {"url": "http://db.example.com/optimade/v0.9.2/", "version": "0.9.2"}, {"url": "http://db.example.com/optimade/v1/", "version": "1.0.0"}, {"url": "http://db.example.com/optimade/v1.0/", "version": "1.0.0"} ], "formats": [ "json", "xml" ], "entry_types_by_format": { "json": [], "xml": [] }, "available_endpoints": [ "info", "links" ], "is_index": true }, "relationships": { "default": { "data": { "type": "links", "id": "perovskites" } } } } // ... } Entry Listing Info Endpoints ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Entry listing info endpoints are accessed under the versioned or unversioned base URL serving the API as :endpoint:`/info/` (e.g., http://example.com/optimade/v1/info/structures or http://example.com/optimade/info/structures). They return information related to the specific entry types served by the API. The response for these endpoints MUST include the following information in the :field:`data` field: - **type**: :field-val:`"info"`. - **id**: This MUST precisely match the entry type name, e.g., :field-val:`"structures"` for the :endpoint:`/info/structures`. - **description**: Description of the entry. - **properties**: A dictionary describing properties for this entry type, where each key is a property name and the value is an OPTIMADE Property Definition described in detail in the section `Property Definitions`_. - **formats**: List of output formats available for this type of entry (see section `Response Format`_) - **output\_fields\_by\_format**: Dictionary of available output fields for this entry type, where the keys are the values of the :field:`formats` list and the values are the keys of the :field:`properties` dictionary. **Note**: Future versions of the OPTIMADE API will deprecate this format and require all keys that are not :field:`type` or :field:`id` to be under the :field:`attributes` key. An example of the data part of the entry listing info endpoint response follows below, however, note that: - The description strings have been wrapped for readability only (newline characters are not allowed inside JSON strings) - The properties in the example, 'nelements' and 'lattice_vectors', mimick OPTIMADE standard properties, but are given here with simplified definitions compared to the standard definitions for these properties. .. code:: jsonc { "data": { "type": "info", "id": "structures", "description": "a structures entry", "properties": { "nelements": { "$id": "urn:uuid:10a05e55-0c20-4f68-89ad-35a18eb7076f", "title": "Number of elements", "x-optimade-type": "integer", "type": ["integer", "null"], "description": "Number of different elements in the structure as an integer.\n \n - Note: queries on this property can equivalently be formulated using `elements LENGTH`.\n - A filter that matches structures that have exactly 4 elements: `nelements=4`.\n - A filter that matches structures that have between 2 and 7 elements: `nelements>=2 AND nelements<=7`.", "examples": [ 3 ], "x-optimade-property": { "property-format": "1.2" }, "x-optimade-unit": "dimensionless", "x-optimade-implementation": { "sortable": true, "query-support": "all mandatory" }, "x-optimade-requirements": { "support": "should", "sortable": false, "query-support": "all mandatory" } }, "lattice_vectors": { "$id": "urn:uuid:81edf372-7b1b-4518-9c14-7d482bd67834", "title": "Lattice vectors", "x-optimade-definition": { "label": "lattice_vectors_optimade_structures", "kind": "property", "format": "1.2", "version": "1.2.0", "name": "lattice_vectors" }, "x-optimade-type": "list", "x-optimade-dimensions": { "names": ["dim_lattice", "dim_spatial"], "sizes": [3, 3] }, "x-optimade-unit-definitions": [ { "symbol": "angstrom", "title": "ångström", "description": "The ångström unit of length.", "standard": { "name": "gnu units", "version": "3.09", "symbol": "angstrom" } } ], "x-optimade-unit": "inapplicable", "x-optimade-implementation": { "sortable": false, "query-support": "none" }, "x-optimade-requirements": { "support": "should", "sortable": false, "query-support": "none" }, "type": ["array", "null"], "description": "The three lattice vectors in Cartesian coordinates, in ångström (Å).\n \n - MUST be a list of three vectors *a*, *b*, and *c*, where each of the vectors MUST BE a list of the vector's coordinates along the x, y, and z Cartesian coordinates. ", "examples": [ [[4.0, 0.0, 0.0], [0.0, 4.0, 0.0], [0.0, 1.0, 4.0]] ], "items": { "type": "array", "x-optimade-type": "list", "x-optimade-unit": "inapplicable", "x-optimade-dimensions": { "names": ["dim_spatial"], "sizes": [3] }, "items": { "type": "number", "x-optimade-type": "float", "x-optimade-unit": "angstrom", "x-optimade-implementation": { "sortable": true, "query-support": "none" }, "x-optimade-requirements": { "sortable": false, "query-support": "none" } } } } // ... }, "formats": ["json", "xml"], "output_fields_by_format": { "json": [ "nelements", "lattice_vectors", // ... ], "xml": ["nelements"] } } // ... } Links Endpoint -------------- This endpoint exposes information on other OPTIMADE API implementations that are related to the current implementation. The links endpoint MUST be provided under the versioned or unversioned base URL serving the API at :endpoint:`/links`. Link Types ~~~~~~~~~~ Each link has a :property:`link_type` attribute that specifies the type of the linked relation. The :property:`link_type` MUST be one of the following values: - :field-val:`child`: a link to another OPTIMADE implementation that MUST be within the same provider. This allows the creation of a tree-like structure of databases by pointing to children sub-databases. - :field-val:`root`: a link to the root implementation within the same provider. This is RECOMMENDED to be an `Index Meta-Database`_. There MUST be only one :val:`root` implementation per provider and all implementations MUST have a link to this :val:`root` implementation. If the provider only supplies a single implementation, the :val:`root` link links to the implementation itself. - :field-val:`external`: a link to an external OPTIMADE implementation. This MAY be used to point to any other implementation, also in a different provider. - :field-val:`providers`: a link to a `List of Providers Links`_ implementation that includes the current implementation, e.g. `providers.optimade.org `__. Limiting to the :val:`root` and :val:`child` link types, links can be used as an introspective endpoint, similar to the `Info Endpoints`_, but at a higher level, i.e., `Info Endpoints`_ provide information on the given implementation, while the :endpoint:`/links` endpoint provides information on the links between immediately related implementations (in particular, an array of none or a single object with link type :val:`root` and none or more objects with link type :val:`child`, see section `Internal Links: Root and Child Links`_). For :endpoint:`/links` endpoints, the API implementation MAY ignore any provided query parameters. Alternatively, it MAY handle the parameters specified in section `Entry Listing URL Query Parameters`_ for entry listing endpoints. Links Endpoint JSON Response Schema ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ The resource objects' response dictionaries MUST include the following fields: - **type**: MUST be :field-val:`"links"`. - **id**: MUST be unique. - **attributes**: Dictionary that MUST contain the following fields: - **name**: Human-readable name for the OPTIMADE API implementation, e.g., for use in clients to show the name to the end-user. - **description**: Human-readable description for the OPTIMADE API implementation, e.g., for use in clients to show a description to the end-user. - **base\_url**: `JSON API link `__, pointing to the base URL for this implementation, either directly as a string, or as an object, which can contain the following fields: - **href**: a string containing the OPTIMADE base URL. - **meta**: a meta object containing non-standard meta-information about the implementation. - **homepage**: a `JSON API link `__, pointing to a homepage URL for this implementation, either directly as a string, or as an object, which can contain the following fields: - **href**: a string containing the implementation homepage URL. - **meta**: a meta object containing non-standard meta-information about the homepage. - **link\_type**: a string containing the link type. It MUST be one of the values listed above in section `Link Types`_. - **aggregate**: a string indicating whether a client that is following links to aggregate results from different OPTIMADE implementations should follow this link or not. This flag SHOULD NOT be indicated for links where :property:`link_type` is not :val:`child`. If not specified, clients MAY assume that the value is :val:`ok`. If specified, and the value is anything different than :val:`ok`, the client MUST assume that the server is suggesting not to follow the link during aggregation by default (also if the value is not among the known ones, in case a future specification adds new accepted values). Specific values indicate the reason why the server is providing the suggestion. A client MAY follow the link anyway if it has reason to do so (e.g., if the client is looking for all test databases, it MAY follow the links where :property:`aggregate` has value :val:`test`). If specified, it MUST be one of the values listed in section `Link Aggregate Options`_. - **no_aggregate_reason**: an OPTIONAL human-readable string indicating the reason for suggesting not to aggregate results following the link. It SHOULD NOT be present if :property:`aggregate` has value :val:`ok`. Example: .. code:: jsonc { "data": [ { "type": "links", "id": "index", "attributes": { "name": "Index", "description": "Index for example's OPTIMADE databases", "base_url": "http://example.com/optimade", "homepage": "http://example.com", "link_type": "root" } }, { "type": "links", "id": "cat_zeo", "attributes": { "name": "Catalytic Zeolites", "description": "Zeolites for deNOx catalysis", "base_url": { "href": "http://example.com/optimade/denox/zeolites", "meta": { "_exmpl_catalyst_group": "denox" } }, "homepage": "http://example.com", "link_type": "child" } }, { "type": "links", "id": "frameworks", "attributes": { "name": "Zeolitic Frameworks", "description": "", "base_url": "http://example.com/zeo_frameworks/optimade", "homepage": "http://example.com", "link_type": "child" } }, { "type": "links", "id": "testdb", "attributes": { "name": "Test database", "description": "A test database", "base_url": "http://example.com/testdb/optimade", "homepage": "http://example.com", "link_type": "child", "aggregate": "test" } }, { "type": "links", "id": "internaldb", "attributes": { "name": "Database for internal use", "description": "An internal database", "base_url": "http://example.com/internaldb/optimade", "homepage": "http://example.com", "link_type": "child", "aggregate": "no", "no_aggregate_reason": "This is a database for internal use and might contain nonsensical data" } }, { "type": "links", "id": "frameworks", "attributes": { "name": "Some other DB", "description": "A DB by the example2 provider", "base_url": "http://example2.com/some_db/optimade", "homepage": "http://example2.com", "link_type": "external" } }, { "type": "links", "id": "optimade", "attributes": { "name": "Materials Consortia", "description": "List of OPTIMADE providers maintained by the Materials Consortia organisation", "base_url": "https://providers.optimade.org", "homepage": "https://optimade.org", "link_type": "providers" } } ] } Internal Links: Root and Child Links ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Any number of resource objects with :property:`link_type` equal to :val:`child` MAY be present as part of the :field:`data` list. A :val:`child` object represents a "link" to an OPTIMADE implementation within the same provider exactly one layer **below** the current implementation's layer. Exactly one resource object with :property:`link_type` equal to :val:`root` MUST be present as part of the :field:`data` list. Note: the same implementation may of course be linked by other implementations via a :endpoint:`/links` endpoint with :property:`link_type` equal to :val:`external`. The :val:`root` resource object represents a link to the topmost OPTIMADE implementation of the current provider. By following :val:`child` links from the :val:`root` object recursively, it MUST be possible to reach the current OPTIMADE implementation. In practice, this forms a tree structure for the OPTIMADE implementations of a provider. **Note**: The RECOMMENDED number of layers is two. List of Providers Links ~~~~~~~~~~~~~~~~~~~~~~~ Resource objects with :property:`link_type` equal to :val:`providers` MUST point to an `Index Meta-Database`_ that supplies a list of OPTIMADE database providers. The intention is to be able to auto-discover all providers of OPTIMADE implementations. A list of known database providers can be retrieved as described in section `Namespace Prefixes`_. This section also describes where to find information for how a provider can be added to this list. Index Meta-Database Links Endpoint ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ If the provider implements an `Index Meta-Database`_, it is RECOMMENDED to adopt a structure where the index meta-database is the :val:`root` implementation of the provider. This will make all OPTIMADE databases and implementations by the provider discoverable as links with :val:`child` link type, under the :endpoint:`links` endpoint of the `Index Meta-Database`_. Link Aggregate Options ~~~~~~~~~~~~~~~~~~~~~~ If specified, the :property:`aggregate` attributed MUST have one of the following values: - :val:`ok` (default value, if unspecified): it is ok to follow this link when aggregating OPTIMADE results. - :val:`test`: the linked database is a test database, whose content might not be correct or might not represent physically-meaningful data. Therefore by default the link should not be followed. - :val:`staging`: the linked database is almost production-ready, but final checks on its content are being performed, so the content might still contain errors. Therefore by default the link should not be followed. - :val:`no`: any other reason to suggest not to follow the link during aggregation of OPTIMADE results. The implementation MAY provide mode details in a human-readable form via the attribute :property:`no-aggregate-reason`. Custom Extension Endpoints -------------------------- API implementations MAY provide custom endpoints under the Extensions endpoint. Custom extension endpoints MUST be placed under the versioned or unversioned base URL serving the API at :endpoint:`/extensions`. The API implementation is free to define roles of further URL path segments under this URL. API Filtering Format Specification ================================== An OPTIMADE filter expression is passed in the parameter :query-param:`filter` as a URL query parameter as `specified by JSON:API `__. The filter expression allows desired properties to be compared against search values; several such comparisons can be combined using the logical conjunctions AND, OR, NOT, and parentheses, with their usual semantics. All properties marked as REQUIRED in section `Entry list`_ MUST be queryable with all mandatory filter features. The level of query support REQUIRED for other properties is described in `Entry list`_. When provided as a URL query parameter, the contents of the :query-param:`filter` parameter is URL-encoded by the client in the HTTP GET request, and then URL-decoded by the API implementation before any further parsing takes place. In particular, this means the client MUST escape special characters in string values as described below for `String values`_ before the URL encoding, and the API implementation MUST first URL-decode the :query-param:`filter` parameter before reversing the escaping of string tokens. Examples of syntactically correct query strings embedded in queries: - :query-url:`http://example.org/optimade/v1/structures?filter=_exmpl_melting_point%3C300+AND+nelements=4+AND+chemical_formula_descriptive="SiO2"&response_format=xml` Or, fully URL encoded: - :query-url:`http://example.org/optimade/v1/structures?filter=_exmpl_melting_point%3C300+AND+nelements%3D4+AND+chemical_formula_descriptive%3D%22SiO2%22&response_format=xml` Lexical Tokens -------------- The following tokens are used in the filter query component: - **Property names**: the first character MUST be a lowercase letter, the subsequent symbols MUST be composed of lowercase letters or digits; the underscore ("\_", ASCII 95 dec (0x5F)) is considered to be a lower-case letter when defining identifiers. The length of the identifiers is not limited, except that when passed as a URL query parameter the whole query SHOULD NOT be longer than the limits imposed by the URI specification. This definition is similar to one used in most widespread programming languages, except that OPTIMADE limits allowed letter set to lowercase letters only. This allows to tell OPTIMADE identifiers and operator keywords apart unambiguously without consulting a reserved word table and to encode this distinction concisely in the EBNF Filter Language grammar. Examples of valid property names: - :property:`band_gap` - :property:`cell_length_a` - :property:`cell_volume` Examples of incorrect property names: - :property-fail:`0_kvak` (starts with a number); - :property-fail:`"foo bar"` (contains space; contains quotes) - :property-fail:`BadLuck` (contains upper-case letters) Identifiers that start with an underscore are specific to a database or definition provider, and MUST be on the format of a namespace prefix (see section `Namespace Prefixes`_). Examples: - :property:`_exmpl_formula_sum` (a property specific to that database) - :property:`_exmpl_band_gap` - :property:`_exmpl_supercell` - :property:`_exmpl_workflow_id` - **Nested property names** A nested property name is composed of at least two identifiers separated by periods (``.``). .. _string values: - **String values** MUST be surrounded by double quote characters (``"``, ASCII symbol 34 dec, 0x22 hex). A double quote that is a part of the value, not a delimiter, MUST be escaped by prepending it with a backslash character (``\\``, ASCII symbol 92 dec, 0x5C hex). A backslash character that is part of the value (i.e., not used to escape a double quote) MUST be escaped by prepending it with another backslash. An example of an escaped string value, including the enclosing double quotes, is given below: - "A double quote character (\\", ASCII symbol 34 dec) MUST be prepended by a backslash (\\\\, ASCII symbol 92 dec) when it is a part of the value and not a delimiter; the backslash character \\"\\\\\\" itself MUST be preceded by another backslash, forming a double backslash: \\\\\\\\" (Note that at the end of the string value above the four final backslashes represent the two terminal backslashes in the value, and the final double quote is a terminator, it is not escaped.) String value tokens are also used to represent **timestamps** in form of the `RFC 3339 Internet Date/Time Format `__. - **Numeric values** are represented as decimal integers or in scientific notation, using the usual programming language conventions. A regular expression giving the number syntax is given below as a `POSIX Extended Regular Expression (ERE) `__ or as a `Perl-Compatible Regular Expression (PCRE) `__: - ERE: :ere:`[-+]?([0-9]+(\.[0-9]\*)?|\.[0-9]+)([eE][-+]?[0-9]+)?` - PCRE: :pcre:`[-+]?(?:\d+(\.\d*)?|\.\d+)(?:[eE][-+]?\d+)?` An implementation of the search filter MAY reject numbers that are outside the machine representation of the underlying hardware; in such case it MUST return the error :http-error:`501 Not Implemented` with an appropriate error message that indicates the cause of the error and an acceptable number range. - Examples of valid numbers: - 12345, +12, -34, 1.2, .2E7, -.2E+7, +10.01E-10, 6.03e23, .1E1, -.1e1, 1.e-12, -.1e-12, 1000000000.E1000000000, 1., .1 - Examples of *invalid* numbers (although they MAY contain correct numbers as substrings): - 1.234D12, .e1, -.E1, +.E2, 1.23E+++, +-123 - **Note**: this number representation is more general than the number representation in JSON (for instance, ``1.`` is a valid numeric value for the filtering language specified here, but is not a valid float number in JSON, where the correct format is ``1.0`` instead). While the filtering language supports tests for equality between properties of floating point type and decimal numbers given in the filter string, such comparisons come with the usual caveats for testing for equality of floating point numbers. Normally, a client cannot rely on that a floating point number stored in a database takes on a representation that exactly matches the one obtained for a number given in the filtering string as a decimal number or as an integer. However, testing for equality to zero MUST be supported. More examples of the number tokens and machine-readable definitions and tests can be found in the `Materials-Consortia API Git repository `__ (files `integers.lst `__, `not-numbers.lst `__, `numbers.lst `__, and `reals.lst `__). - **Boolean values** are represented with the tokens :filter-op:`TRUE` and :filter-op:`FALSE`. - **Operator tokens** are represented by usual mathematical relation symbols or by case-sensitive keywords. Currently the following operators are supported: :filter-op:`=`, :filter-op:`!=`, :filter-op:`<=`, :filter-op:`>=`, :filter-op:`<`, :filter-op:`>` for tests of number, string (lexicographical) or timestamp (temporal) equality, inequality, less-than, more-than, less, and more relations; :filter-op:`AND`, :filter-op:`OR`, :filter-op:`NOT` for logical conjunctions, and a number of keyword operators discussed in the next section. In future extensions, operator tokens that are words MUST contain only upper-case letters. This requirement guarantees that no operator token will ever clash with a property name. The Filter Language Syntax -------------------------- All filtering expressions MUST follow the `EBNF `__ grammar of appendix `The Filter Language EBNF Grammar`_ of this specification. The appendix contains a complete machine-readable EBNF, including the definition of the lexical tokens described above in section `Lexical Tokens`_. The EBNF is enclosed in special strings constructed as ``BEGIN`` and ``END``, both followed by ``EBNF GRAMMAR Filter``, to enable automatic extraction. Basic boolean operations ~~~~~~~~~~~~~~~~~~~~~~~~ The filter language supports conjunctions of comparisons using the boolean algebra operators "AND", "OR", and "NOT" and parentheses to group conjunctions. A comparison clause prefixed by NOT matches entries for which the comparison is false. Examples: - :filter:`NOT ( chemical_formula_hill = "Al" AND chemical_formula_anonymous = "A" OR chemical_formula_anonymous = "H2O" AND NOT chemical_formula_hill = "Ti" )` Numeric and String comparisons ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Comparisons involving Numeric and String properties can be expressed using the usual comparison operators: '<', '>', '<=', '>=', '=', '!='. Implementations MUST support comparisons in the forms:: identifier constant constant identifier Where :filter-fragment:`identifier` is a property name and :filter-fragment:`constant` is either a numerical or string type constant. Implementations MAY also support comparisons with identifiers on both sides, and comparisons with numerical type constants on both sides, i.e., in the forms:: identifier identifier constant constant However, the latter form, :filter-fragment:`constant constant` where the constants are strings MUST return the error :http-error:`501 Not Implemented`. **Note:** The motivation to exclude the form :filter-fragment:`constant constant` for strings is that filter language strings can refer to data of different data types (e.g., strings and timestamps), and thus this construct is not unambiguous. The OPTIMADE specification will strive to address this issue in a future version. Examples: - :filter:`nelements > 3` - :filter:`chemical_formula_hill = "H2O" AND chemical_formula_anonymous != "AB"` - :filter:`_exmpl_aax <= +.1e8 OR nelements >= 10 AND NOT ( _exmpl_x != "Some string" OR NOT _exmpl_a = 7)` - :filter:`_exmpl_spacegroup="P2"` - :filter:`_exmpl_cell_volume<100.0` - :filter:`_exmpl_band_gap > 5.0 AND _exmpl_molecular_weight < 350` - :filter:`_exmpl_melting_point<300 AND nelements=4 AND chemical_formula_descriptive="SiO2"` - :filter:`_exmpl_some_string_property = 42` (This is syntactically allowed without putting 42 in quotation marks, see the notes about comparisons of values of different types below.) - :filter:`5 < _exmpl_a` - OPTIONAL: :filter:`((NOT (_exmpl_a>_exmpl_b)) AND _exmpl_x>0)` - OPTIONAL: :filter:`5 < 7` Substring comparisons ~~~~~~~~~~~~~~~~~~~~~ In addition to the standard equality and inequality operators, matching of partial strings is provided by keyword operators: - :filter:`identifier CONTAINS x`: Is true if the substring value x is found anywhere within the property. - :filter:`identifier STARTS WITH x`: Is true if the property starts with the substring value x. The :filter-op:`WITH` keyword MAY be omitted. - :filter:`identifier ENDS WITH x`: Is true if the property ends with the substring value x. The :filter-op:`WITH` keyword MAY be omitted. OPTIONAL features: - Support for x to be an identifier, rather than a string is OPTIONAL. Examples: - :filter:`chemical_formula_anonymous CONTAINS "C2" AND chemical_formula_anonymous STARTS WITH "A2"` - :filter:`chemical_formula_anonymous STARTS "A2" AND chemical_formula_anonymous ENDS WITH "D1"` Comparisons of boolean values ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Straightforward comparisons ('=' and '!=') MUST be supported for boolean values. Other comparison operators ('<', '>', '<=', '>=') MUST NOT be supported. Boolean values are only supposed to be used in direct comparisons with properties, but not compound comparisons. For example, :filter:`(nsites = 3 AND nelements = 3) = FALSE` is not supported. Boolean property :filter-fragment:`property` MAY be compared with :filter-fragment:`TRUE` by omitting the :filter-fragment:`= TRUE` altogether: :filter:`property`. Conversely, it MAY be compared with :filter-fragment:`FALSE` by negating the comparison with :filter-fragment:`TRUE`: :filter:`NOT property`. Examples: - :filter:`property = TRUE` - :filter:`property != FALSE` - :filter:`_exmpl_has_inversion_symmetry AND NOT _exmpl_is_primitive` Comparisons of list properties ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In the following, :property:`list` is a list-type property, and :filter-fragment:`values` is one or more :filter-fragment:`value` separated by commas (","), i.e., strings or numbers. An implementation MAY also support property names and nested property names in :filter-fragment:`values`. The following constructs MUST be supported: - :filter:`list HAS value`: matches if at least one element in :filter-fragment:`list` is equal to :filter-fragment:`value`. (If :filter-fragment:`list` has no duplicate elements, this implements the set operator IN.) - :filter:`list HAS ALL values`: matches if, for each :filter-fragment:`value`, there is at least one element in :filter-fragment:`list` equal to that value. (If both :filter-fragment:`list` and :filter-fragment:`values` do not contain duplicate values, this implements the set operator >=.) - :filter:`list HAS ANY values`: matches if at least one element in :filter-fragment:`list` is equal to at least one :filter-fragment:`value`. (This is equivalent to a number of HAS statements separated by OR.) - :filter:`list LENGTH value`: matches if the number of items in the :filter-fragment:`list` property is equal to :filter-fragment:`value`. The :filter-fragment:`HAS ONLY` construct MAY be supported: - OPTIONAL: :filter:`list HAS ONLY values`: matches if all elements in :filter-fragment:`list` are equal to at least one :filter-fragment:`value`. (If both :filter-fragment:`list` and :filter-fragment:`values` do not contain duplicate values, this implements the <= set operator.) This construct is OPTIONAL as it can be difficult to realize in some underlying database implementations. However, if the desired search is over a property that can only take on a finite set of values (e.g., chemical elements) a client can formulate an equivalent search by inverting the list of values into :filter-fragment:`inverse` and express the filter as :filter:`NOT list HAS inverse`. Furthermore, there is a set of OPTIONAL constructs that allows filters to be formulated over the values in *correlated positions* in multiple list properties. An implementation MAY support this syntax selectively only for specific properties. This type of filter is useful for, e.g., filtering on elements and correlated element counts available as two separate list properties. - :filter-fragment:`list1:list2:... HAS val1:val2:...` - :filter-fragment:`list1:list2:... HAS ALL val1:val2:...` - :filter-fragment:`list1:list2:... HAS ANY val1:val2:...` - :filter-fragment:`list1:list2:... HAS ONLY val1:val2:...` Finally, all the above constructs that allow a value or lists of values on the right-hand side MAY allow :filter-fragment:` value` in each place a value can appear. In that case, a match requires that the :filter-fragment:`` comparison is fulfilled instead of equality. Strictly, the definitions of the :filter-fragment:`HAS`, :filter-fragment:`HAS ALL`, :filter-fragment:`HAS ANY`, :filter-fragment:`HAS ONLY` and :filter-fragment:`LENGTH` operators as written above apply, but with the word 'equal' replaced with the :filter-fragment:`` comparison. For example: - OPTIONAL: :filter:`list HAS < 3`: matches all entries for which :filter-fragment:`list` contains at least one element that is less than three. - OPTIONAL: :filter:`list HAS ALL < 3, > 3`: matches only those entries for which :filter-fragment:`list` simultaneously contains at least one element less than three and one element greater than three. An implementation MAY support combining the operator syntax with the syntax for correlated lists in particularly on a list correlated with itself. For example: - OPTIONAL: :filter:`list:list HAS >=2:<=5`: matches all entries for which :filter-fragment:`list` contains at least one element that is between the values 2 and 5. Further examples of various comparisons of list properties: - OPTIONAL: :filter:`elements HAS "H" AND elements HAS ALL "H","He","Ga","Ta" AND elements HAS ONLY "H","He","Ga","Ta" AND elements HAS ANY "H", "He", "Ga", "Ta"` - OPTIONAL: :filter:`elements HAS ONLY "H","He","Ga","Ta"` - OPTIONAL: :filter:`elements:_exmpl_element_counts HAS "H":6 AND elements:_exmpl_element_counts HAS ALL "H":6,"He":7 AND elements:_exmpl_element_counts HAS ONLY "H":6 AND elements:_exmpl_element_counts HAS ANY "H":6,"He":7 AND elements:_exmpl_element_counts HAS ONLY "H":6,"He":7` - OPTIONAL: :filter:`_exmpl_element_counts HAS < 3 AND _exmpl_element_counts HAS ANY > 3, = 6, 4, != 8` (note: specifying the = operator after HAS ANY is redundant here, if no operator is given, the test is for equality.) - OPTIONAL: :filter:`elements:_exmpl_element_counts:_exmpl_element_weights HAS ANY > 3:"He":>55.3 , = 6:>"Ti":<37.6 , 8:<"Ga":0` Nested property names ~~~~~~~~~~~~~~~~~~~~~ Everywhere in a filter string where a property name is accepted, the API implementation MAY accept nested property names as described in section `Lexical Tokens`_, consisting of identifiers separated by periods ('.'). A filter on a nested property name consisting of two identifiers :filter-fragment:`identifier1.identifier2` matches if either one of these points are true: - :filter-fragment:`identifier1` references a dictionary-type property that contains as an identifier :filter-fragment:`identifier2` and the filter matches for the content of :filter-fragment:`identifier2`. - :filter-fragment:`identifier1` references a list of dictionaries that contain as an identifier :filter-fragment:`identifier2` and the filter matches for a flat list containing only the contents of :filter-fragment:`identifier2` for every dictionary in the list. E.g., if :filter-fragment:`identifier1` is the list :filter-fragment:`[{"identifier2":42, "identifier3":36}, {"identifier2":96, "identifier3":66}]`, then :filter-fragment:`identifier1.identifier2` is understood in the filter as the list :filter-fragment:`[42, 96]`. - :filter-fragment:`identifier1` references an entry type of a group of related entries each containing a property named after an identifier :filter-fragment:`identifier2` and the filter matches for a flat list containing only the values of :filter-fragment:`identifier2` properties for every related entry. In this case, :filter-fragment:`identifier2` is restricted to the following fields: - :field:`id`, when matching directly on the ID of the related entry. - :field:`description`, when matching on human-readable description of the relationship. - :field:`role`, when matching on the role of the relationship between entries (possible relationships are defined per-entry type). - :field:`target`, which can be further nested to enable queries on the related entry's property. Support for such queries is OPTIONAL. E.g., :filter-fragment:`references.target.doi` is understood in the filter as the list containing values of :property:`doi` for all related entries of type :entry:`references`. This is explained in more detail in section `Filtering on relationships`_. The API implementation MAY allow this notation to generalize to arbitrary depth. A nested property name that combines more than one list MUST, if accepted, be interpreted as a completely flattened list. Filtering on relationships ~~~~~~~~~~~~~~~~~~~~~~~~~~ As described in the section `Relationships`_, it is possible for the API implementation to describe relationships between entries of the same, or different, entry types. The API implementation MAY support queries on relationships with an entry type :filter-fragment:``: - :filter-fragment:`.id` references a list of IDs of relationships with entries of the type :filter-fragment:``. - :filter-fragment:`.description` references a correlated list of the human-readable descriptions of these relationships. - :filter-fragment:`.role` references a correlated list of roles between entries in relationships. - :filter-fragment:`.target.` references a list of property :property:`` values for related entries (i.e., the :filter-fragment:`target` entry of the relationship) of type :filter-fragment:``. Hence, the filter language acts as, for every entry type, there is a property with that name which contains a list of dictionaries with keys :property:`id`, :property:`description`, :property:`role` and :property:`target`. For example: a client queries the :endpoint:`structures` endpoint with a filter that references :filter-fragment:`calculations.id`. For a specific structures entry, the nested property behaves as the list :filter-fragment:`["calc-id-43", "calc-id-96"]` and would then, e.g., match the filter :filter:`calculations.id HAS "calc-id-96"`. This means that the structures entry has a relationship with the calculations entry of that ID. Support for queries on fields of arbitrary depth is OPTIONAL. **Note**: without this support, formulating queries on relationships with entries that have specific property values is a multi-step process. For example, to find all structures with bibliographic references where one of the authors has the last name "Schmidt" is performed by the following two steps: - Query the :endpoint:`references` endpoint with a filter :filter:`authors.lastname HAS "Schmidt"` and store the :filter-fragment:`id` values of the returned entries. - Query the :endpoint:`structures` endpoint with a filter :filter-fragment:`references.id HAS ANY `, where :filter-fragment:`` are the IDs retrieved from the first query separated by commas. For example, search for all structures related to a publication having DOI 10.1234/1234 could be performed with the following query: ``/structures?filter=references.target.doi="10.1234/1234"`` Search for all literature references for structures with tantalum: ``/references?filter=structures.target.elements HAS "Ta"`` Search for all structures of anonymous formula A2B from year 2024: ``/structures?filter=references.target.year=2024 AND chemical_formula_anonymous="A2B"`` Note: the type of query discussed here corresponds to a "join"-type operation in a relational data model. Search for all structures with primary citation from year 2024: ``/structures?filter=references.role:references.target.year HAS "_exmpl_primary":2024`` Filtering on Properties with an unknown value ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Properties can have an unknown value, see section `Properties with an unknown value`_. Filters that match when the property is known, or unknown, respectively can be constructed using the following syntax:: identifier IS KNOWN identifier IS UNKNOWN For properties having other than boolean values, :filter:`identifier IS KNOWN` MAY be written as :filter:`identifier`. Except for the above constructs, filters that use any form of comparison that involve properties of unknown values MUST NOT match. Hence, by definition, an :filter-fragment:`identifier` of value :filter-fragment:`null` never matches equality (:filter-op:`=`), inequality (:filter-op:`<`, :filter-op:`<=`, :filter-op:`>`, :filter-op:`>=`, :filter-op:`!=`) or other comparison operators besides :filter:`identifier IS UNKNOWN` and :filter:`NOT identifier IS KNOWN`. In particular, a filter that compares two properties that are both :val:`null` for equality or inequality does not match. Examples: - :filter:`chemical_formula_hill IS KNOWN AND NOT chemical_formula_anonymous IS UNKNOWN` Precedence ~~~~~~~~~~ The precedence (priority) of the operators MUST be as indicated in the list below: 1. Comparison and keyword operators (:filter-op:`<`, :filter-op:`<=`, :filter-op:`=`, :filter-op:`HAS`, :filter-op:`STARTS`, etc.) -- highest priority; 2. :filter-op:`NOT` 3. :filter-op:`AND` 4. :filter-op:`OR` -- lowest priority. Examples: - :filter:`NOT a > b OR c = 100 AND f = "C2 H6"`: this is interpreted as :filter:`(NOT (a > b)) OR ( (c = 100) AND (f = "C2 H6") )` when fully braced. - :filter:`a >= 0 AND NOT b < c OR c = 0`: this is interpreted as :filter:`((a >= 0) AND (NOT (b < c))) OR (c = 0)` when fully braced. Type handling and conversions in comparisons ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ The definitions of specific properties in this standard define their types. Similarly, for `custom properties`_, the database provider decides their types. In the syntactic constructs that can accommodate values of more than one type, types of all participating values are REQUIRED to match, with a single exception of timestamps (see below). Different types of values MUST be reported as :http-error:`501 Not Implemented` errors, meaning that type conversion is not implemented in the specification. As the filter language syntax does not define a lexical token for timestamps, values of this type are expressed using string tokens in `RFC 3339 Internet Date/Time Format `__. In a comparison with a timestamp property, a string token represents a timestamp value that would result from parsing the string according to RFC 3339 Internet Date/Time Format. Interpretation failures MUST be reported with error :http-error:`400 Bad Request`. Namespace providers MAY introduce namespace-specific data types. It is up to the providers to decide which comparison operators to support and how the comparisons should be performed. For example, a provider that introduces a set-valued property :property:`_exmpl_set`, may decide to override the :val:`CONTAINS` operator so that :filter:`identifier CONTAINS set` is true when :val:`set` is a subset of a property. Optional filter features ~~~~~~~~~~~~~~~~~~~~~~~~ Some features of the filtering language are marked OPTIONAL. An implementation that encounters an OPTIONAL feature that it does not support MUST respond with error :http-error:`501 Not Implemented` with an explanation of which OPTIONAL construct the error refers to. Property Definitions ==================== An OPTIMADE *Property Definition* defines a specific property, which will be referred to as *the defined property* throughout this section. The definition uses a dictionary-based construct that, when represented in the JSON output format, is compatible with the JSON Schema standard (for more information, see `Property Definition keys from JSON Schema`_). The format of Property Definitions defined below allows nesting inner Property Definitions to define properties that are comprised by values organized in lists and dictionaries to arbitrary depth. To make a property definition expressible in any output format, the fields of the property definition below are specified using OPTIMADE data types. When a property definition is communicated using a specific data format (e.g., JSON), the property definition is implemented in that data format by mapping the OPTIMADE data types into the corresponding data types for that output format. Clients are meant to be able to rely on the fact that properties with the same :field:`$id` fields represents equivalently defined properties. Hence, when a Property Definition that has been published previously is updated, it is of major importance to decide if the updates merely amend, annotate, or clarify the definition in a way that leaves it functionally the same and thus can retain the :field:`$id`, or whether the property is redefined. An example of an update that does not functionally change the definition is the addition or modification of the examples given in the :field:`examples` field. If a property is redefined, the redefinition MUST change the :field:`$id`. The nature of an updated definition can also be reflected in the subfield :field:`version` of :field:`x-optimade-definition`, which allows definitions to be versioned using the `semantic versioning v2 `__ standard where the update is categorized on the levels of a patch, minor, or major change. A Property Definition MUST be composed according to the combination of the requirements in the subsection `Property Definition keys from JSON Schema`_ below and the following additional requirements: **REQUIRED keys for the outermost level of the Property Definition and OPTIONAL for other levels:** - :field:`$id`: String, :field:`$schema`: String, :field:`title`: String, and :field:`description`: String. See the subsection `Property definition keys from JSON Schema`_ for the definitions of these fields. They are defined in that subsection as OPTIONAL on any level of the Property Definition, but are REQUIRED on the outermost level. .. _definition of the x-optimade-definition field: - :field:`x-optimade-definition`: Dictionary. Additional information about the definition that is not covered by fields in the JSON Schema standard. **REQUIRED keys:** .. _definition of the property-format field: - :field:`format`: String. A string that declares the OPTIMADE definition format the definition adheres to. Currently, this is expressed as the minor version of the OPTIMADE specification that describes the property definition format used. The string MUST be of the format "MAJOR.MINOR", referring to the version of the OPTIMADE standard that describes the format in which this property definition is expressed. The version number string MUST NOT be prefixed by, e.g., "v". In implementations of the present version of the standard, the value MUST be exactly :field-val:`1.2`. A client MUST disregard the property definition if the field is not a string of the format MAJOR.MINOR or if the MAJOR version number is unrecognized. This field allows future versions of this standard to support implementations keeping definitions that adhere to older versions of the property definition format. - :field:`kind`: String. A string specifying what entity is being defined. For Property Definitions this MUST be the string "property". - :field:`name`: String. An short identifier (as defined in `Definition of Terms`_) that provides a reasonable short non-unique name for the entity being defined. - :field:`label`: String. An extended identifier (as defined in `Definition of Terms`_) that describes the entity being defined in a way that is unique within a set of definitions provided together. The label SHOULD start with the name. Implementation notes: The name and label fields ensure implementations will be able to give meaningful names to definitions if they are translated into other formats with various requirements on human-readable names, e.g., as `RDF data `__ (see, e.g., rdfs:label). **OPTIONAL keys:** - :field:`version`: String. This string indicates the version of the definition. The string SHOULD be in the format described by the `semantic versioning v2 `__ standard. When a definition is changed in a way that constitutes a redefinition it SHOULD indicate this by incrementing the MAJOR version number. - :field:`resources`: List. A list of dictionaries that references remote resources that describe the property. The format of each dictionary is: **REQUIRED keys:** - :field:`relation`: String. A human-readable description of the relationship between the property and the remote resource, e.g., a "natural language description". - :field:`resource-id`: String. An IRI of the external resource, which MAY be a resolvable URL. **REQUIRED keys for all levels of the Property Definition:** .. _definition of the x-optimade-type field: - :field:`x-optimade-type`: String. Specifies the OPTIMADE data type for this level of the defined property. MUST be one of :val:`"string"`, :val:`"integer"`, :val:`"float"`, :val:`"boolean"`, :val:`"timestamp"`, :val:`"list"`, :val:`"dictionary"` or the name of a namespace-specific data type that starts with an underscore followed by the provider-specific prefix. When a namespace-specific data type is used, the human-readable property description should be used to describe its usage and format. - :field:`x-optimade-unit`: String. A (compound) symbol for the physical unit in which the value of the defined property is given or one of the strings :val:`dimensionless` or :val:`inapplicable`. See subsection `Physical Units in Property Definitions`_ for the details on how compound units are represented in OPTIMADE Property Definitions and the precise format of this string. **OPTIONAL keys at all nested levels of the Property Definition:** - :field:`x-optimade-unit-definitions`: List. A list of definitions of the symbols used in the Property Definition (including its nested levels) for physical units given as values of the :field:`x-optimade-unit` field. This field **MUST be included at the outermost level of a property definition** if the defined property, at any level, includes an :field:`x-optimade-unit` with a value that is not :val:`dimensionless` or :val:`inapplicable`, and it MUST include definitions of all units used on all levels in the property definition. The field MAY also occur at deeper nesting levels (but this is not required). If it does, the unit definitions provided MUST be redundant with those provided at higher nesting levels. See subsection `Physical Units in Property Definitions`_ for the details on how units are represented in OPTIMADE Property Definitions and the precise format of this dictionary. .. _definition of the x-optimade-dimensions field: - :field:`x-optimade-dimensions`: Dictionary. Specification of the dimensions of one or multi-dimensional data represented as multiple levels of lists. Each dimension is given a name and optionally a fixed size. **REQUIRED keys:** - :field:`names`: List of Strings. A list of names of the dimensions of the underlying one or multi-dimensional data represented as multiple levels of lists. The order is such that the first name applies to the outermost list, the next name to the lists embedded in that list, etc. Dimension names defined by the OPTIMADE standard are prefixed by ``dim_``. Dimension names defined by database or definition providers MUST be prefixed by the corresponding database or namespace prefix, which SHOULD then be immediately followed by ``dim_``, e.g., ``_exmpl_dim_particles``. If, within one entry, two or more list axes in one or more properties share the same dimension :field:`name`, those represent the same dimension. For example, let us consider the property :property:`cartesian_site_positions` of the trajectory entry, where the first dimension name is :val:`dim_frames`. Let the trajectory entry in this example have another, one-dimensional, list property :property:`_exmpl_energy`, which in its property definition specifies *the same name*, :val:`dim_frames`, as the name of the axis corresponding to its single dimension. The joint dimension name means the values of :property:`_exmpl_energy` and of :property:`cartesian_site_positions` at index *i* pertain to the same frame. If slicing is used to request only parts of the data along the :val:`dim_frames` dimension, that is a request to slice both the properties according to the specified slice. - :field:`sizes`: List of Integers or :val:`null`. A list of fixed length requirements on the underlying one or multi-dimensional data represented as multiple levels of lists. The order is that the the first name applies to the outermost list, the next name to the lists embedded in that list, etc. The data only validates if the respective level consists of lists of exactly this length. A value of :val:`null` allows arbitrary-length lists at the corresponding level. Note: OPTIMADE Property Definitions use this field, and MUST NOT use the JSON Schema validating fields minItems and maxItems since that would require reprocessing the schema to handle requests using the OPTIMADE features that requests partial data in lists. Instead, the length of lists can be validated against the length information provided in the :field:`sizes` subfield of :field:`x-optimade-dimensions` (which, at this time, can only specify a fixed length requirement.) **OPTIONAL keys:** - :field:`compactable`: List of Strings. For each dimension, defines whether the data can be written in a compact form along that dimension. If the value is :val:`"no"` for one given dimension, the standard rules to represent lists apply (i.e., the server CANNOT express that property using a compact format). If the value is any other string for one given dimension (currently, only the string :val:`"constant"` is supported), the server MAY decide to express the data in the response using the compact format defined by that string, as specified in `Compact list representation`_. If it decides not to do so, then it MUST use the standard rules to represent lists. If :field:`compactable` is provided, then a value MUST be given for each dimension. If :field:`compactable` is not provided, then the default value is :val:`"no"` for each dimension. For instance, for the :field:`lattice_vectors` property of an entry of type :entry:`trajectories`: .. code:: jsonc { "data": { "type": "info", "id": "trajectories", // ... "properties": { // ... "lattice_vectors": { "$id": "urn:uuid:81edf372-7b1b-4518-9c14-7d482bd67834", "title": "Lattice vectors", // ... "x-optimade-type": "list", "x-optimade-dimensions": { "names": ["dim_frames", "dim_lattice", "dim_spatial"], "sizes": [null, 3, 3] // size along dim_frames is variable, so not specified here "compactable": ["constant", "no", "no"] // compactable (using the constant compact format) only along dim_frames } } } } } This means that the :field:`lattice_vectors` property MAY be expressed in a compact format along the outermost dimension (``dim_frames``) using the :val:`"constant"` compact format (but MUST be expressed as standard lists along the other two dimensions ``dim_lattice`` and ``dim_spatial``). - :field:`x-optimade-implementation`: Dictionary. A dictionary describing the level of OPTIMADE API functionality provided by the present implementation. If an implementation omits this field in its response, a client interacting with that implementation SHOULD NOT make any assumptions about the availability of these features. The dictionary has the following format: **OPTIONAL keys:** - :field:`sortable`: Boolean. If :val:`TRUE`, specifies that results can be sorted on this property (see `Entry Listing URL Query Parameters`_ for more information on this field). If :val:`FALSE`, specifies that results cannot be sorted on this property. Omitting the field is equivalent to :val:`FALSE`. - :field:`query-support`: String. Defines a required level of support in formulating queries on this field. The string MUST be one of the following: - :val:`all mandatory`: the defined property MUST be queryable using the OPTIMADE filter language with support for all mandatory filter features. - :val:`equality only`: the defined property MUST be queryable using the OPTIMADE filter language equality and inequality operators. Other filter language features do not need to be available. - :val:`partial`: the defined property MUST be queryable with support for a subset of the filter language operators as specified by the field :field:`query-support-operators`. - :val:`none`: the defined property does not need to be queryable with any features of the filter language. Omitting the field or :val:`null` is equivalent to :val:`none`. - :field:`query-support-operators`: List of Strings. Defines the filter language features supported on this property. MUST be present and not :val:`null` if and only if :field:`query-support` is :val:`partial`. Each string in the list MUST be one of :val:`<`, :val:`<=`, :val:`>`, :val:`>=`, :val:`=`, :val:`!=`, :val:`CONTAINS`, :val:`STARTS WITH`, :val:`ENDS WITH`, :val:`HAS`, :val:`HAS ALL`, :val:`HAS ANY`, :val:`HAS ONLY`, :val:`IS KNOWN`, :val:`IS UNKNOWN` with the following meanings: - :val:`<`, :val:`<=`, :val:`>`, :val:`>=`, :val:`=`, :val:`!=`: indicating support for filtering this property using the respective operator. If the property is of Boolean type, support for :val:`=` also designates support for boolean comparisons with the property being true that omit ":filter-fragment:`= TRUE`", e.g., specifying that filtering for ":filter:`is_yellow = TRUE`" is supported also implies support for ":filter:`is_yellow`" (which means the same thing). Support for ":filter:`NOT is_yellow`" also follows. - :val:`CONTAINS`, :val:`STARTS WITH`, :val:`ENDS WITH`: indicating support for substring filtering of this property using the respective operator. MUST NOT appear if the property is not of type String. - :val:`HAS`, :val:`HAS ALL`, :val:`HAS ANY`: indicating support of the MANDATORY features for list property comparison using the respective operator. MUST NOT appear if the property is not of type List. - :val:`HAS ONLY`: indicating support for list property comparison with all or a subset of the OPTIONAL constructs using this operator. MUST NOT appear if the property is not of type List. - :val:`IS KNOWN`, :val:`IS UNKNOWN`: indicating support for filtering this property on unknown values using the respective operator. - :field:`response-default`: Boolean. The value :val:`TRUE` means the implementation includes the property in responses by default, i.e., when not specifically requested. The value :val:`FALSE` means that the property is only included when requested. Omitting the field or :val:`null` means the implementation does not declare if the property will be included in responses by default or not. - :field:`x-optimade-requirements`: Dictionary. A dictionary describing the level of OPTIMADE API functionality required by all implementations of this property. Omitting this field means the corresponding functionality is OPTIONAL. The dictionary has the same format as :field:`x-optimade-implementation`, *except that* the :field:`response-default` field SHOULD NOT appear, and the following additional OPTIONAL fields are allowed: - :field:`support`: String. Describes the minimal required level of support for the Property by an implementation. This field only has meaning for the defined property when appearing in the :field:`x-optimade-requirements` at the outermost level of the definition. Nevertheless, it MAY appear in other places, e.g., if a nested property definition has been inserted that references its own :field:`$id`. The string MUST be one of the following: - :val:`must`: the defined property MUST be recognized by the implementation (e.g., in filter strings) and MUST NOT be :val:`null`. - :val:`should`: the defined property MUST be recognized by the implementation (e.g., in filter strings) and SHOULD NOT be :val:`null`. - :val:`may`: it is OPTIONAL for the implementation to recognize the defined property and it MAY be equal to :val:`null`. Omitting the field is equivalent to :val:`may`. Note: the specification by this field of whether the defined property can be :val:`null` or not MUST match the value of the :field:`type` field. If :val:`null` values are allowed, that field must be a list where the string :val:`"null"` is the second element. - :field:`response-default-level`: String. Expresses if an implementation of this property is required to include or exclude it in responses when not specifically requested. This field only has meaning for the defined property when appearing in the :field:`x-optimade-requirements` at the outermost level of the definition. Nevertheless, it MAY appear in other places, e.g., if a nested property definition has been inserted that references its own :field:`$id`. The string MUST be one of the following: - :val:`always`: the defined property MUST always be included in responses and cannot be excluded even by request via, e.g., the :query-param:`response_fields` query parameter. This is primarily intended for the :field:`id` and :field:`type` fields, which are required for the JSON:API response format to be valid. - :val:`must`: the defined property MUST be included in responses unless specifically excluded. - :val:`should`: the defined property SHOULD be included in responses unless specifically excluded. - :val:`may`: it is OPTIONAL for the implementation to include the defined property in responses. - :val:`should not`: the defined property SHOULD NOT be included in responses unless specifically requested. - :val:`must not`: the defined property MUST NOT be included in responses unless specifically requested. Omitting the field is equivalent to :val:`may`. Property Definition keys from JSON Schema ----------------------------------------- In addition to the requirements on the format of a Property Definition in the previous section, it MUST also adhere to the OPTIONAL and REQUIRED keys described in this subsection. The format described in this subsection forms a subset of the `JSON Schema Validation Draft 2020-12 `__ and `JSON Schema Core Draft 2020-12 `__ standards. **REQUIRED keys** .. _definition of the type field: - :field:`type`: List. Specifies the corresponding JSON type for this level of the defined property and whether the property can be :val:`null` or not. The value is directly correlated with :field:`x-optimade-type` (cf. the `definition of the x-optimade-type field`_). It MUST be a list of one or two elements where the first element is a string correlated with :field:`x-optimade-type` as follows; if :field:`x-optimade-type` is: * :val:`"boolean"`, :val:`"string"`, or :val:`"integer"` then :field:`type` is the same string. * :val:`"dictionary"` then :field:`type` is `"object"`. * :val:`"list"` then :field:`type` is `"array"`. * :val:`"float"` then :field:`type` is `"number"`. * :val:`"timestamp"` then :field:`type` is `"string"`. If the second element is included, it MUST be the string :val:`"null"`. This two element form specifies that the defined property can be :val:`null`. The inclusion or not of :val:`"null"` in the field :field:`type` for a subfield defined at a nested level by a Property Definition declares if that subfield is nullable. Property Definitions for which the nullability of a subfield differs MUST NOT share the same :field:`$id`. However, the nullability of the subfield SHOULD NOT be taken into account when comparing the nested Property Definition for that subfield with other definitions, i.e., a nullable and non-nullable subfield that are otherwise defined the same SHOULD share the same :field:`$id`. Hence, formally OPTIMADE Property Definitions regard nullability of a subfield to belong one level *above* where it appears in the JSON Schema definition. **Implementation notes:** - The field :field:`type` can be derived from the field :field:`x-optimade-type` and its role is only to provide the JSON type names corresponding to :field:`x-optimade-type`. The motivation to include these type names is that it makes the JSON representation of a Property Definition a fully valid standard JSON Schema. Nevertheless, for consistency across formats, these JSON type names MUST still be included when a property definition is represented in other output formats (i.e., the JSON names MUST NOT be translated into the type names of that output format). - The allowed values of the :field:`type` field are highly restricted compared to what is permitted using the full JSON Schema standard. Values can only be defined to be a single OPTIMADE data type or, optionally, :val:`null`. This restriction is intended to reduce the complexity of possible data types that implementations have to handle in different formats and database backends. **Keys that are REQUIRED on the outermost level of a Property Definition, but otherwise OPTIONAL:** - :field:`$schema`: String. A URL for a meta schema that describes the Property Definitions format. For Property Definitions adhering to the format described in this document, it should be set to: :val:`https://schemas.optimade.org/meta/v1.2/optimade/property_definition.json`. .. _definition of the $id field: - :field:`$id`: String. A static IRI identifier that is a URN or URL representing the specific version of this level of the defined property. (If it is a URL, clients SHOULD NOT assign any interpretation to the response when resolving that URL.) It SHOULD NOT be changed as long as the property definition remains the same, and MUST be changed when the property definition changes. - :field:`title`: String. A short single-line human-readable explanation of the defined property appropriate to show as part of a user interface. .. _definition of the description field: - :field:`description`: String. A human-readable multi-line description that explains the purpose, requirements, and conventions of the defined property. The format SHOULD be a one-line description, followed by a new paragraph (two newlines), followed by a more detailed description of all the requirements and conventions of the defined property. Formatting in the text SHOULD use Markdown in the `CommonMark v0.3 format `__ format, with mathematical expressions written to render correctly with the LaTeX mode of `Mathjax 3.2 `__. When possible, it is preferable for mathematical expressions to use as straightforward notation as possible to make them readable also when not rendered. **OPTIONAL keys** - :field:`$comment`: String. A human-readable comment relevant in the context of the raw definition data. These comments should normally not be shown to the end users. Comments pertaining to the Property Definition that are relevant to end users should go into the field :field:`description`. Formatting in the text SHOULD use Markdown using the format described in the `definition of the description field`_. - :field:`deprecated`: Boolean. If :val:`TRUE`, implementations SHOULD not use the defined property, and it MAY be removed in the future. If :val:`FALSE`, the defined property is not deprecated. The field not being present means :val:`FALSE`. A Property Definition marked as deprecated is generally considered to be the same as its non-deprecated counterpart, i.e., it SHOULD retain its :field:`$id`. - :field:`examples`: List. A list of example values that the defined property can have. These examples MUST all be of a data type that matches the :field:`type` field and otherwise adhere to the rest of the Property Definition. - :field:`enum`: List. The defined property MUST take one of the values given in the provided list. The items in the list MUST all be of a data type that matches the :field:`type` field and otherwise adhere to the rest of the Property Definition. If this key is given, for :val:`null` to be a valid value of the defined property, the list MUST contain a :val:`null` value and the :field:`type` MUST be a list where the second value is the string :val:`"null"`. Furthermore, depending on what string the :field:`type` is equal to, or contains as first element, the following additional requirements also apply: - :val:`"object"`: **REQUIRED** - :field:`properties`: Dictionary. Gives key-value pairs where each value is an inner Property Definition. The defined property is a dictionary that can only contain keys present in this dictionary, and, if so, the corresponding value is described by the respective inner Property Definition. (Or, if the :field:`type` field is the list "object" and "null", it can also be :val:`null`.) **OPTIONAL** - :field:`required`: List. The list MUST only contain strings. The defined property MUST have keys that match all the strings in this list. Other keys present in the :field:`properties` field are OPTIONAL in the defined property. If not present or empty, all keys in :field:`properties` are regarded as OPTIONAL. - :field:`maxProperties`: Integer. The defined property is a dictionary where the number of keys MUST be less than or equal to the number given. - :field:`minProperties`: Integer. The defined property is a dictionary where the number of keys MUST be greater than or equal to the number given. - :field:`dependentRequired`: Dictionary. The dictionary keys are strings and the values are lists of unique strings. If the defined property has a key that is equal to a key in the given dictionary, the defined property MUST also have keys that match each of the corresponding values. No restriction is inferred from this field for keys in the defined property that do not match any key in the given dictionary. - :val:`"array"`: **REQUIRED** - :field:`items`: Dictionary. Specifies an inner Property Definition. The defined property is a list where each item MUST match this inner Property Definition. **OPTIONAL** - :field:`uniqueItems`: Boolean. If :val:`TRUE`, the defined property is an array that MUST only contain unique items. If :val:`FALSE`, this field sets no limitation on the defined property. Furthermore, despite being defined in the JSON Schema standard, the fields :field:`minItems` and :field:`maxItems` MUST NOT be used to indicate limits of the number of items of a list. See the `definition of the x-optimade-dimensions field`_ for more information. - :val:`"integer"`: **OPTIONAL** - :field:`multipleOf`: Integer. An integer is strictly greater than 0. The defined property MUST have an integer value that when divided by the given integer results in an integer (i.e., it must be even divisible by this integer without a fractional part). - :field:`maximum`: Integer. The defined property is an integer that MUST be less than or equal to this number. - :field:`exclusiveMaximum`: Integer. The defined property is an integer that MUST be strictly less than this number; it cannot be equal to the number. - :field:`minimum`: Integer. The defined property is an integer that MUST be greater than or equal to this number. - :field:`exclusiveMinimum`: Integer. The defined property is an integer that MUST be strictly greater than this number; it cannot be equal to the number. - :val:`"number"`: **OPTIONAL** - :field:`multipleOf`: Float. An integer is strictly greater than 0. The defined property MUST have an integer value that when divided by the given integer results in an integer (i.e., it must be even divisible by this integer without a fractional part). - :field:`maximum`: Float. The defined property is a float that MUST be less than or equal to this number. - :field:`exclusiveMaximum`: Float. The defined property is a float that MUST be strictly less than this number; it cannot be equal to the number. - :field:`minimum`: Float. The defined property is a float that MUST be greater than or equal to this number. - :field:`exclusiveMinimum`: Float. The defined property is a float that MUST be strictly greater than this number; it cannot be equal to the number. - :val:`"string"`: **OPTIONAL** - :field:`maxLength`: Integer. A non-negative integer. The defined property is a string that MUST have a length that is less than or equal to the given integer. (The length of the string is the number of individual Unicode characters it is composed of.) - :field:`minLength`: Integer. A non-negative integer. The defined property is a string that MUST have a length that is less than or equal to the given integer. (The definition of the length of a string is the same as in the field :field:`maxLength`.) - :field:`format`: String. Choose one of the following values to indicate that the defined property is a string that MUST adhere to the specified format: - :val:`"date-time"`: the date-time production in :RFC:`3339` section 5.6. - :val:`"date"`: the full-date production in :RFC:`3339` section 5.6. - :val:`"time"`: the full-time production in :RFC:`3339` section 5.6. - :val:`"duration"`: the duration production in :RFC:`3339` Appendix A. - :val:`"email"`: the "Mailbox" ABNF rule in :RFC:`5321` section 4.1.2. - :val:`"uri"`: a string instance is valid against this attribute if it is a valid URI according to :RFC:`3986`. - :val:`"iri"`: a string instance is valid against this attribute if it is a valid IRI according to :RFC:`3987`. - :field:`pattern`: String. This string SHOULD be a valid regular expression, according to the ECMA-262 regular expression dialect. A string instance is considered valid if the regular expression matches the instance successfully. The regular expression is not implicitly anchored, i.e., it can match the string at any position unless the expression contains a leading '^' or a trailing '$'. A complete example of a Property Definition is found in the appendix `Property Definition Example`_. Physical Units in Property Definitions -------------------------------------- In OPTIMADE, there is no facility to allow a property to be represented in a choice of units, e.g., either ångström (Å) or meter (m). The unit is always permanently fixed by the Property Definition. Clients and servers that use other units internally thus have to do unit conversions as part of preparing and processing OPTIMADE responses. The physical unit of a property, the embedded items of a list, or values of a dictionary, are defined with the field :field:`x-optimade-unit` with the following requirements: - The field MUST be given with a non-:val:`null` value both at the highest level in the OPTIMADE Property Definition and all inner Property Definitions. - If the property refers to a physical quantity that is dimensionless and unitless (often also referred to as having the dimension 1) or refers to a dimensionless and unitless count of something (e.g., the number of protons in a nucleus) the field MUST have the value :val:`dimensionless`. However, quantities that use counting units, e.g., the mole, or quantities that use dimensionless units, e.g., the radian MUST NOT set the field to :val:`dimensionless`. - If the property refers to an entity for which the assignment of a unit would not make sense, e.g., a string representing a chemical formula or a serial number the field MUST have the value :val:`inapplicable`. - If the field does not take the value :val:`dimensionless` or :val:`inapplicable`, it MUST be set to a single unit symbol or a Compound Unit Expressions from a set of unit symbols using the format described in `Compound Unit Expressions`_. - All unit symbols used in :field:`x-optimade-unit` fields at any level in a Property Definition MUST be defined in the :field:`units` field inside the :field:`x-optimade-property` field in the outermost level of the Property Definition, or in the :field:`units` field in the Entry info endpoint (the latter is only possible for Property Definitions embedded in such a response). - The :field:`units` MUST be a list of dictionaries using the format for OPTIMADE Physical Unit Definitions described in `Physical Unit Definitions`_. Compound Unit Expressions ------------------------- A Compound Unit Expression is formed by a sequence of symbols for units or constants separated by a single multiplication ``*`` character. Each symbol can also be suffixed by a single ``^`` character followed by a positive or negative integer to indicate the power of the preceding symbol, e.g., ``m^3`` for cubic meter, ``m^-3`` for inverse cubic meter. (Positive integers MUST NOT be preceded by a plus sign.) Each unit or constant symbol MAY be directly prefixed by a prefix symbol. A prefix symbol MUST be directly followed by a unit symbol, i.e., it MUST NOT be used on its own, and MUST NOT be followed by ``^`` to indicate a power. When defining prefix symbols it is important to ensure that they do not introduce ambiguity. If there are ambiguous interpretations of a symbol as either having or not having a prefix, it MUST be interpreted as a unit without a prefix. Furthermore: - No whitespace, parentheses, or other symbols than specified above are permitted. - The (prefixed) unit and constant symbols MUST appear in alphabetical order. Physical Unit Definitions ------------------------- An OPTIMADE Physical Unit Definition is a dictionary adhering to the following format: **REQUIRED keys:** - :field:`$schema`: String. A URL for a meta schema that describes the Physical Unit Definitions format. For Property Definitions adhering to the format described in this document, it should be set to: :val:`https://schemas.optimade.org/meta/v1.2/optimade/physical_unit_definition.json`. - :field:`x-optimade-definition`: Dictionary. The same field as defined in the `definition of the x-optimade-definition field`_ for Property Definitions but where the :field:`kind` subfield MUST be :val:`unit`. .. _definition of the $id field in Physical Unit Definitions: - :field:`$id`: String. A static IRI identifier that is a URN or URL representing the specific version of the Physical Unit Definition. (If it is a URL, clients SHOULD NOT assign any interpretation to the response when resolving that URL.) It SHOULD NOT be changed as long as the Physical Unit Definition remains the same, and SHOULD be changed when the definition changes. Physical Unit Definitions SHOULD be regarded as the same if they only differ by: - Additions of annotating notes to end of the :field:`description` field. - Changes to the following specific fields at any level: :field:`deprecated` and :field:`$comment`. - :field:`symbol`: String. Specifies the symbol to be used in :field:`x-optimade-unit` to reference this unit. - :field:`title`: String. A human-readable single-line string name for the unit. - :field:`description`: String. A human-readable multiple-line detailed description of the unit. Additions appended to the end of the :field:`description` field that are clearly marked as notes that clarify the definition without changing it are viewed as annotations to the Physical Unit Definition rather than an integral part of it. Such annotations SHOULD only be added to the end of an otherwise unmodified :field:`description` and MUST NOT change the meaning or interpretation of the text above them. The purpose is to provide a way to add explanations and clarifications to a definition without having to regard it as a new definition. For example, these annotations to the description MAY be used to explain why a definition has been deprecated. **OPTIONAL keys:** - :field:`standard`: Dictionary. This field is used to express that the unit is part of a preexisting standard. The dictionary has the following format: **REQUIRED keys:** - :field:`name`: String. The abbreviated name of the standard being referenced. One of the following: - :val:`"si"`: the symbol is defined as part of the SI standard of unit symbols and prefixes. - :val:`"codata"`: the symbol is defined as part of one of the CODATA series of publications. - :val:`"iso-iec-80000"`: the symbol is defined in the iso-iec-80000 standard. - :val:`"gnu units"`: the symbol is a (compound) unit expression based on the symbols in the file ``definitions.units`` distributed with `GNU Units software `__. A standard set of symbols for units and prefixes for OPTIMADE is taken from version 3.15 of the (separately versioned) unit database ``definitions.units`` included with the `source distribution `__ of `GNU Units `__ version 2.22. A prefix is indicated in the file by a trailing ``-``, but that trailing character MUST NOT be included when using it as a prefix. If the unit is available in this database, or if it can be expressed as a Compound Unit Expression using these units and prefixes, the value of :field:`x-optimade-unit` SHOULD use the (compound) string symbol. If there are multiple prefixes in the file with the same meaning, an implementation SHOULD use the *shortest one* consisting of only lowercase letters a-z and underscores, but no other symbols. If there are multiple ones with the same shortest length, then the first one of those SHOULD be used. For example, the GNU Units database defines the symbol :val:`"km"` for kilometers by a combination of the ``k-`` SI kilo prefix and the ``m`` symbol for the SI meter unit. - :val:`"ucum"`: the symbol is defined in `The Unified Code for Units of Measure `__ (UCUM) standard. - :val:`"qudt"`: the symbol is defined in the `QUDT `__ standard. Not only symbols strictly defined within the standard are allowed, but also other compound unit expressions created according to the scheme for how new such symbols are formed in this standard. - :field:`symbol`: String. The symbol to use from the referenced standard, expressed according to that standard. The field MAY use mathematical expressions written the same way as described in the `definition of the description field`_. This field MAY be different from the symbol being defined via the definition if the unit will be referenced in :field:`x-optimade-unit` field using a different symbol than the one used in the standard or if the symbol is expressed in the standard in a way that requires mathematical notation. However, if possible, the :field:`symbol` field SHOULD be the same. **OPTIONAL keys:** - :field:`version`: String. The version string of the referenced standard. - :field:`year`: Integer. The year that the standard adopted the definition. - :field:`category` The category of the definition in case the standard uses categories to organize definitions. - :field:`alternate-symbols`: List of String. A list of other symbols that are commonly associated with the unit. The stings MAY use mathematical expressions written the same way as described in the `definition of the description field`_. - :field:`property-format`: String. Specifies the minor version of the Property Definitions format that the Physical Units Definition is expressed in. (The Physical Units Definition format is not versioned independently.) The format is the same as described above for the `definition of the property-format field`_ in Property Definitions. This field MUST be included when Physical Unit Definitions are used standalone, i.e., when they are not embedded inside a Property Definition that already declares a :field:`property-format` at the top level. - :field:`version`: String. This string indicates the version of the Physical Unit Definition. The string SHOULD be in the format described by the `semantic versioning v2 `__ standard. - :field:`resources`: List of Dictionaries. A list of dictionaries that reference remote resources that describe the unit. The format of each dictionary is: **REQUIRED keys:** - :field:`relation`: String. A human-readable description of the relationship between the unit and the remote resource, e.g., a "natural language description". - :field:`resource-id`: String. An IRI of the external resource (which MAY be a resolvable URL). .. _definition of defining-relation: - :field:`defining-relation`: Dictionary. A dictionary that encodes a defining relation to another unit or set of units, with the primary intended use of relating a unit to its definition in SI units, if such a relationship exists. Some units, e.g., the atomic mass unit (also known as dalton, commonly denoted ``u``), only has an approximate relationship to SI units, in which case the :field:`defining-relation` MUST be omitted or :val:`null`. The dictionary MUST adhere to the following format: **OPTIONAL keys:** - :field:`base-units`: List of Dictionaries. A list specifying the base IRIs and unit symbols for the units in which the dimensional formula for the defining relation is expressed. Each item MUST be a dictionary that adheres to the following format: **REQUIRED keys:** - :field:`symbol`: String. The symbol used to reference this unit in the dimensional formula. - :field:`id`: String. The IRI of one of the units referenced in the dimensional formula for the defining relation. - :field:`base-units-expression`: String. A string expressing the base units part of the defining relation for the unit being defined. It MUST adhere to the format for compound unit expression described in `Physical Units in Property Definitions`_. If the field is missing or :val:`null` the base-units-expression is taken to be equal to 1, i.e., the defining relation is dimensionless. - :field:`scale`: Dictionary. A dictionary specifying the scale in the defining relation, adhering to the following format: **OPTIONAL keys:** - :field:`numerator`: Integer. - :field:`denominator`: Integer. - :field:`base`: Integer. - :field:`exponent`: Integer. These four fields specify the value as the rational number :field:`numerator` / :field:`denominator`, multiplied by :field:`base` to the power of :field:`exponent`. If omitted or :val:`null`, the defaults for the :field:`numerator`, :field:`denominator`, :field:`base`, and :field:`exponent` are respectively 1, 1, 10, and 0. - :field:`standard_uncertainty`: Float. The standard uncertainty of the value used in the defining relation. Some definitions define an entity (e.g. a constant) to a specific value along with an uncertainty of that value. - :field:`offset`: Dictionary. A dictionary specifying the offset value, adhering to the same format as :field:`scale`. If omitted or :val:`null`, the defaults for the :field:`numerator`, :field:`denominator`, and :field:`exponent` are respectively 0, 1, and 0. If the fields in :field:`scale` are designated as ``sn``, ``sd``, and ``se``; and the fields in :field:`offset` are designated as ``on``, ``od``, and ``oe``; and :field:`base-units-expression` is designated as ``b``, these fields state the following defining relation: a value ``v`` multiplied by the unit being defined is equal to the following expression ``(v * (sn/sd) * 10**se + (on/od) * 10**oe)*b``, where ``*`` designates multiplication and ``**`` designates exponentiation. For example, the defining relation of the temperature unit Fahrenheit ``F`` in Celsius ``C``, that says that ``x F = (x - 32) * (5/9) C = 5/9 x + (-160/9) C`` could be expressed as follows: .. code:: jsonc "defining-relation": { "base-units": [ { "symbol": "C", "id": "https://units.example.com/celsius" } ], "base-units-expression": "C", "scale": { "numerator": 5, "denominator": 9 }, "offset": { "numerator": -160, "denominator": 9 } } - :field:`approximate-relations`: List of Dictionary. A list of dictionaries that encode approximate relations to another unit or set of units. The intended use is to express one or a few approximate relationships from the unit being defined to other unit systems (primarily intended to be SI). This field is useful for units not defined by such a relationship, in which case the :field:`defining-relation` field would be used. For example, the atomic mass unit (also known as dalton, commonly denoted ``u``) is defined as one twelfth of the mass of a free carbon-12 atom at rest and only has an approximate relationship to the SI kilogram. While this field allows expressing multiple relationships, the intent is only to provide the most relevant relationships (e.g., to an SI base unit) from which other relationships can be derived. Each element in the list MUST be a dictionary adhering to the following format: **OPTIONAL keys:** - :field:`base-units`: List of Dictionaries, and :field:`base-units-expression`: String. These fields take the same format and roles as in the `definition of defining-relation`_ - :field:`scale`: Dictionary. A dictionary specifying the scale in the approximate relation. It MUST adhere to the following format: **REQUIRED keys:** - :field:`value`: Float. The value of the scale in the approximate relation. **OPTIONAL keys:** - :field:`standard_uncertainty`: Float. The standard uncertainty of the value in the approximate relation. - :field:`relative_standard_uncertainty`: Float. The relative standard uncertainty of the value in the approximate relation. - :field:`offset`: Dictionary. A dictionary specifying the offset in the approximate relation. It MUST adhere to the same format as the :field:`scale` field above. The values for :field:`scale` and :field:`offset` take the same meaning as in the `definition of defining-relation`_ to express a relationship between the unit being defined and the compound unit expression in :field:`base-units-expression`. - :field:`deprecated`: Boolean. If :val:`TRUE`, implementations SHOULD not use the unit defined in this Physical Unit Definition. If :val:`FALSE`, the unit defined in this Physical Unit Definition is not deprecated. The field not being present means :val:`FALSE`. - :field:`$comment`: String. A human-readable comment relevant in the context of the raw definition data. These comments should normally not be shown to the end users. Comments pertaining to the Property Definition that are relevant to end users should go into the field :field:`description`. Formatting in the text SHOULD use Markdown using the format described in the `definition of the description field`_ of Property Definitions. An example of a Physical Unit Definition, including a defining relation that involves more than one other unit, is embedded in the example of a Property Definition in the appendix `Property Definition Example`_. Prefixes and constants ---------------------- Prefixes and constants are defined in OPTIMADE using nearly identical schemas as the one for units in `Physical Unit Definitions`_. The only difference is that for prefixes: - The :field:`$schema` SHOULD be set to: "https://schemas.optimade.org/meta/v1.2/optimade/prefix_definition.json". - The subfield :field:`kind` of the field :field:`x-optimade-definition` MUST be :val:`prefix`. And for Constants: - The :field:`$schema` SHOULD be set to: "https://schemas.optimade.org/meta/v1.2/optimade/constant_definition.json". - The subfield :field:`kind` of the field :field:`x-optimade-definition` MUST be :val:`constant`. Unrecognized keys in property definitions ----------------------------------------- Implementations MAY add their own keys in Property Definitions, both inside and outside of the fields :field:`x-optimade-property`, :field:`x-optimade-implementation`, and :field:`x-optimade-requirements` in the form of :field:`x-exmpl-name` where :field:`exmpl` is the database-specific prefix (without underscore characters) and :field:`name` is the part of the key chosen by the implementation. Implementations MUST NOT add keys to property definitions on other formats. Client and server implementations that interpret an OPTIMADE Property Definition and encounter unrecognized keys starting with :field:`x-exmpl-` where :field:`exmpl` is a recognized database prefix MAY issue errors or warnings. Other unrecognized keys starting with :field:`x-` MUST NOT issue errors, SHOULD NOT issue warnings, and MUST otherwise be ignored. To allow forward compatibility with future versions of both OPTIMADE and the JSON Schema standards, unrecognized keys that do not start with :field:`x-` SHOULD issue a warning but MUST otherwise be ignored. Entry List ========== This section defines standard entry types and their properties. Properties Used by Multiple Entry Types --------------------------------------- id ~~ - **Description**: An entry's ID as defined in section `Definition of Terms`_. - **Type**: string. - **Requirements/Conventions**: - **Support**: MUST be supported by all implementations, MUST NOT be :val:`null`. - **Query**: MUST be a queryable property with support for all mandatory filter features. - **Response**: REQUIRED in the response. - See section `Definition of Terms`_. - **Examples**: - :val:`"db/1234567"` - :val:`"cod/2000000"` - :val:`"cod/2000000@1234567"` - :val:`"nomad/L1234567890"` - :val:`"42"` type ~~~~ - **Description**: The name of the type of an entry. - **Type**: string. - **Requirements/Conventions**: - **Support**: MUST be supported by all implementations, MUST NOT be :val:`null`. - **Query**: MUST be a queryable property with support for all mandatory filter features. - **Response**: REQUIRED in the response. - MUST be an existing entry type. - The entry of type ```` and ID ```` MUST be returned in response to a request for :endpoint:`//` under the versioned or unversioned base URL serving the API. - **Examples**: - :val:`"structures"` - :val:`"trajectories"` immutable\_id ~~~~~~~~~~~~~ - **Description**: The entry's immutable ID (e.g., a UUID). This is important for databases having preferred IDs that point to "the latest version" of a record, but still offer access to older variants. This ID maps to the version-specific record, in case it changes in the future. - **Type**: string. - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: MUST be a queryable property with support for all mandatory filter features. - **Examples**: - :val:`"8bd3e750-b477-41a0-9b11-3a799f21b44f"` - :val:`"fjeiwoj,54;@=%<>#32"` (Strings that are not URL-safe are allowed.) last\_modified ~~~~~~~~~~~~~~ - **Description**: Date and time representing when the entry was last modified. - **Type**: timestamp. - **Requirements/Conventions**: - **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`. - **Query**: MUST be a queryable property with support for all mandatory filter features. - **Response**: REQUIRED in the response unless the query parameter :query-param:`response_fields` is present and does not include this property. - **Examples**: - As part of JSON response format: :VAL:`"2007-04-05T14:30:20Z"` (i.e., encoded as an `RFC 3339 Internet Date/Time Format `__ string.) Custom properties ~~~~~~~~~~~~~~~~~ - **Description**: Providers are able to add database-provider-specific and definition-provider-specific properties in the output of both standard entry types and custom entry types. Similarly, an implementation MAY add keys with a namespace prefix to dictionary properties and their sub-dictionaries. For example, the database-provider-specific property :property:`_exmpl_oxidation_state`, can be placed within the OPTIMADE property :property:`species`. - **Type**: Decided by the API implementation. MUST be one of the OPTIMADE `Data types`_. - **Requirements/Conventions**: - **Support**: Support for database-provider-specific properties is fully OPTIONAL. - **Query**: Support for queries on these properties are OPTIONAL. If supported, only a subset of the filter features MAY be supported. - **Response**: API implementations are free to choose whether database-provider-specific properties are only included when requested using the query parameter :query-param:`response_fields`, or if they are included also when :query-param:`response_fields` is not present. Implementations are thus allowed to decide that some of these properties are part of what can be seen as the default value of :query-param:`response_fields` when that query parameter is omitted. Implementations SHOULD NOT include database-provider-specific properties when the query parameter :query-param:`response_fields` is present but does not list them. - These MUST be prefixed by a database-provider-specific prefix (see appendix `Namespace Prefixes`_). - Implementations MUST add the properties to the list of :property:`properties` under the respective entry listing :endpoint:`info` endpoint (see `Entry Listing Info Endpoints`_). - **Examples**: A few examples of valid database-provided-specific property names, for a predefined prefix ``_exmpl``, are as follows: - :property:`_exmpl_formula_sum` - :property:`_exmpl_band_gap` - :property:`_exmpl_supercell` - :property:`_exmpl_workflow_id` Structures Entries ------------------ :entry:`structures` entries (or objects) have the properties described above in section `Properties Used by Multiple Entry Types`_, as well as the following properties: elements ~~~~~~~~ - **Description**: The chemical symbols of the different elements present in the structure. - **Type**: list of strings. - **Requirements/Conventions**: - **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`. - **Query**: MUST be a queryable property with support for all mandatory filter features. - The strings are the chemical symbols, i.e., either a single uppercase letter or an uppercase letter followed by a number of lowercase letters. - The order MUST be alphabetical. - MUST refer to the same elements in the same order, and therefore be of the same length, as `elements_ratios`_, if the latter is provided. - Note: This property SHOULD NOT contain the string "X" to indicate non-chemical elements or "vacancy" to indicate vacancies (in contrast to the field :field:`chemical_symbols` for the :property:`species` property). - **Examples**: - :val:`["Si"]` - :val:`["Al","O","Si"]` - **Query examples**: - A filter that matches all records of structures that contain Si, Al **and** O, and possibly other elements: :filter:`elements HAS ALL "Si", "Al", "O"`. - To match structures with exactly these three elements, use :filter:`elements HAS ALL "Si", "Al", "O" AND elements LENGTH 3`. - Note: length queries on this property can be equivalently formulated by filtering on the `nelements`_ property directly. nelements ~~~~~~~~~ - **Description**: Number of different elements in the structure as an integer. - **Type**: integer - **Requirements/Conventions**: - **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`. - **Query**: MUST be a queryable property with support for all mandatory filter features. - MUST be equal to the lengths of the list properties `elements`_ and `elements_ratios`_, if they are provided. - **Examples**: - :val:`3` - **Querying**: - Note: queries on this property can equivalently be formulated using :filter-fragment:`elements LENGTH`. - A filter that matches structures that have exactly 4 elements: :filter:`nelements=4`. - A filter that matches structures that have between 2 and 7 elements: :filter:`nelements>=2 AND nelements<=7`. elements\_ratios ~~~~~~~~~~~~~~~~ - **Description**: Relative proportions of different elements in the structure. - **Type**: list of floats - **Requirements/Conventions**: - **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`. - **Query**: MUST be a queryable property with support for all mandatory filter features. - Composed by the proportions of elements in the structure as a list of floating point numbers. - The sum of the numbers MUST be 1.0 (within floating point accuracy) - MUST refer to the same elements in the same order, and therefore be of the same length, as `elements`_, if the latter is provided. - **Examples**: - :val:`[1.0]` - :val:`[0.3333333333333333, 0.2222222222222222, 0.4444444444444444]` - **Query examples**: - Note: Useful filters can be formulated using the set operator syntax for correlated values. However, since the values are floating point values, the use of equality comparisons is generally inadvisable. - OPTIONAL: a filter that matches structures where approximately 1/3 of the atoms in the structure are the element Al is: :filter:`elements:elements_ratios HAS ALL "Al":>0.3333, "Al":<0.3334`. chemical\_formula\_descriptive ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - **Description**: The chemical formula for a structure as a string in a form chosen by the API implementation. - **Type**: string - **Requirements/Conventions**: - **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`. - **Query**: MUST be a queryable property with support for all mandatory filter features. - The chemical formula is given as a string consisting of properly capitalized element symbols followed by integers or decimal numbers, balanced parentheses, square, and curly brackets ``(``,\ ``)``, ``[``,\ ``]``, ``{``, ``}``, commas, the ``+``, ``-``, ``:`` and ``=`` symbols. The parentheses are allowed to be followed by a number. Spaces are allowed anywhere except within chemical symbols. The order of elements and any groupings indicated by parentheses or brackets are chosen freely by the API implementation. - The string SHOULD be arithmetically consistent with the element ratios in the :property:`chemical_formula_reduced` property. - It is RECOMMENDED, but not mandatory, that symbols, parentheses and brackets, if used, are used with the meanings prescribed by `IUPAC's Nomenclature of Organic Chemistry `__. - **Examples**: - :val:`"(H2O)2 Na"` - :val:`"NaCl"` - :val:`"CaCO3"` - :val:`"CCaO3"` - :val:`"(CH3)3N+ - [CH2]2-OH = Me3N+ - CH2 - CH2OH"` - **Query examples**: - Note: the free-form nature of this property is likely to make queries on it across different databases inconsistent. - A filter that matches an exactly given formula: :filter:`chemical_formula_descriptive="(H2O)2 Na"`. - A filter that does a partial match: :filter:`chemical_formula_descriptive CONTAINS "H2O"`. chemical\_formula\_reduced ~~~~~~~~~~~~~~~~~~~~~~~~~~ - **Description**: The reduced chemical formula for a structure as a string with element symbols and integer chemical proportion numbers. The proportion number MUST be omitted if it is 1. - **Type**: string - **Requirements/Conventions**: - **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`. - **Query**: MUST be a queryable property. However, support for filters using partial string matching with this property is OPTIONAL (i.e., BEGINS WITH, ENDS WITH, and CONTAINS). Intricate queries on formula components are instead suggested to be formulated using set-type filter operators on the multi valued :property:`elements` and :property:`elements_ratios` properties. - Element symbols MUST have proper capitalization (e.g., :val:`"Si"`, not :VAL:`"SI"` for "silicon"). - Elements MUST be placed in alphabetical order, followed by their integer chemical proportion number. - For structures with no partial occupation, the chemical proportion numbers are the smallest integers for which the chemical proportion is exactly correct. - For structures with partial occupation, the chemical proportion numbers are integers that within reasonable approximation indicate the correct chemical proportions. The precise details of how to perform the rounding is chosen by the API implementation. - No spaces or separators are allowed. - **Examples**: - :val:`"H2NaO"` - :val:`"ClNa"` - :val:`"CCaO3"` - **Query examples**: - A filter that matches an exactly given formula is :filter:`chemical_formula_reduced="H2NaO"`. chemical\_formula\_hill ~~~~~~~~~~~~~~~~~~~~~~~ - **Description**: The chemical formula for a structure in `Hill form `__ with element symbols followed by integer chemical proportion numbers. The proportion number MUST be omitted if it is 1. - **Type**: string - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. If supported, only a subset of the filter features MAY be supported. - The overall scale factor of the chemical proportions is chosen such that the resulting values are integers that indicate the most chemically relevant unit of which the system is composed. For example, if the structure is a repeating unit cell with four hydrogens and four oxygens that represents two hydroperoxide molecules, :property:`chemical_formula_hill` is :val:`"H2O2"` (i.e., not :val:`"HO"`, nor :val:`"H4O4"`). - If the chemical insight needed to ascribe a Hill formula to the system is not present, the property MUST be handled as unset. - Element symbols MUST have proper capitalization (e.g., :val:`"Si"`, not :VAL:`"SI"` for "silicon"). - Elements MUST be placed in `Hill order `__, followed by their integer chemical proportion number. Hill order means: if carbon is present, it is placed first, and if also present, hydrogen is placed second. After that, all other elements are ordered alphabetically. If carbon is not present, all elements are ordered alphabetically. - If the system has sites with partial occupation and the total occupations of each element do not all sum up to integers, then the Hill formula SHOULD be handled as unset. - No spaces or separators are allowed. - **Examples**: - :val:`"H2O2"` - **Query examples**: - A filter that matches an exactly given formula is :filter:`chemical_formula_hill="H2O2"`. chemical\_formula\_anonymous ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - **Description**: The anonymous formula is the :property:`chemical_formula_reduced`, but where the elements are instead first ordered by their chemical proportion number, and then, in order left to right, replaced by anonymous symbols A, B, C, ..., Z, Aa, Ba, ..., Za, Ab, Bb, ... and so on. - **Type**: string - **Requirements/Conventions**: - **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`. - **Query**: MUST be a queryable property. However, support for filters using partial string matching with this property is OPTIONAL (i.e., BEGINS WITH, ENDS WITH, and CONTAINS). - **Examples**: - :val:`"A2B"` - :val:`"A42B42C16D12E10F9G5"` - **Querying**: - A filter that matches an exactly given formula is :filter:`chemical_formula_anonymous="A2B"`. dimension\_types ~~~~~~~~~~~~~~~~ - **Description**: List of three integers describing the periodicity of the boundaries of the unit cell. For each direction indicated by the three `lattice_vectors`_, this list indicates if the direction is periodic (value :val:`1`) or non-periodic (value :val:`0`). Note: the elements in this list each refer to the direction of the corresponding entry in `lattice_vectors`_ and *not* the Cartesian x, y, z directions. - **Type**: list of integers. - **Requirements/Conventions**: - **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - MUST be a list of length 3. - Each integer element MUST assume only the value 0 or 1. - **Examples**: - A nonperiodic structure, for example, for a single molecule: :val:`[0, 0, 0]` - A unit cell that is periodic in the direction of the third lattice vector, for example for a carbon nanotube: :val:`[0, 0, 1]` - For a 2D surface/slab, with a unit cell that is periodic in the direction of the first and third lattice vectors: :val:`[1, 0, 1]` - For a bulk 3D system with a unit cell that is periodic in all directions: :val:`[1, 1, 1]` nperiodic\_dimensions ~~~~~~~~~~~~~~~~~~~~~ - **Description**: An integer specifying the number of periodic dimensions in the structure, equivalent to the number of non-zero entries in `dimension_types`_. - **Type**: integer - **Requirements/Conventions**: - **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`. - **Query**: MUST be a queryable property with support for all mandatory filter features. - The integer value MUST be between 0 and 3 inclusive and MUST be equal to the sum of the items in the `dimension_types`_ property. - This property only reflects the treatment of the lattice vectors provided for the structure, and not any physical interpretation of the dimensionality of its contents. - **Examples**: - :val:`2` should be indicated in cases where :property:`dimension_types` is any of :val:`[1, 1, 0]`, :val:`[1, 0, 1]`, :val:`[0, 1, 1]`. - **Query examples**: - Match only structures with exactly 3 periodic dimensions: :filter:`nperiodic_dimensions=3` - Match all structures with 2 or fewer periodic dimensions: :filter:`nperiodic_dimensions<=2` lattice\_vectors ~~~~~~~~~~~~~~~~ - **Description**: The three lattice vectors in Cartesian coordinates, in ångström (Å). - **Type**: list of list of floats or unknown values. - **Requirements/Conventions**: - **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. If supported, filters MAY support only a subset of comparison operators. - MUST be a list of three vectors *a*, *b*, and *c*, where each of the vectors MUST BE a list of the vector's coordinates along the x, y, and z Cartesian coordinates. (Therefore, the first index runs over the three lattice vectors and the second index runs over the x, y, z Cartesian coordinates). - For databases that do not define an absolute Cartesian system (e.g., only defining the length and angles between vectors), the first lattice vector SHOULD be set along *x* and the second on the *xy*-plane. - MUST always contain three vectors of three coordinates each, independently of the elements of property `dimension_types`_. The vectors SHOULD by convention be chosen so the determinant of the :property:`lattice_vectors` matrix is different from zero. The vectors in the non-periodic directions have no significance beyond fulfilling these requirements. - The coordinates of the lattice vectors of non-periodic dimensions (i.e., those dimensions for which `dimension_types`_ is :val:`0`) MAY be given as a list of all :val:`null` values. If a lattice vector contains the value :val:`null`, all coordinates of that lattice vector MUST be :val:`null`. - **Examples**: - :val:`[[4.0,0.0,0.0],[0.0,4.0,0.0],[0.0,1.0,4.0]]` represents a cell, where the first vector is :val:`(4, 0, 0)`, i.e., a vector aligned along the :val:`x` axis of length 4 Å; the second vector is :val:`(0, 4, 0)`; and the third vector is :val:`(0, 1, 4)`. space\_group\_symmetry\_operations\_xyz ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - **Description**: a list of symmetry operations given as general position x, y and z coordinates in algebraic form. - **Type** list of strings - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - The property is RECOMMENDED if coordinates are returned in a form to which these operations can or must be applied (e.g. fractional atom coordinates of an asymmetric unit). - It is also RECOMMENDED if symmetry operations are necessary to reconstruct the full model of the material and no other symmetry information (e.g., the Hall symbol) is provided that would allow the user to derive symmetry operations unambiguously. - **Query**: Support for queries on this property is not required and in fact is NOT RECOMMENDED. - MUST be :val:`null` if :property:`nperiodic_dimensions` is equal to 0. - Each symmetry operation is described by a string that gives that symmetry operation in Jones' faithful representation (Bradley & Cracknell, 1972: pp. 35-37), adapted for computer string notation. - The letters :val:`x`, :val:`y` and :val:`z` that are typesetted with overbars in printed text represent coordinate values multiplied by -1 and are encoded as :val:`-x`, :val:`-y` and :val:`-z`, respectively. - The syntax of the strings representing symmetry operations MUST conform to regular expressions given in appendix `The Symmetry Operation String Regular Expressions`_. - The interpretation of the strings MUST follow the conventions of the IUCr CIF core dictionary (IUCr, 2023). In particular, this property MUST explicitly provide all symmetry operations needed to generate all the atoms in the unit cell from the atoms in the asymmetric unit, for the setting used. - This symmetry operation set MUST always include the :val:`x,y,z` identity operation. - The symmetry operations are to be applied to fractional atom coordinates. In case only Cartesian coordinates are available, these Cartesian coordinates must be converted to fractional coordinates before the application of the provided symmetry operations. - If the symmetry operation list is present, it MUST be compatible with other space group specifications (e.g. the ITC space group number, the Hall symbol, the Hermann-Mauguin symbol) if these are present. - **Examples**: - Space group operations for the space group with ITC number 3 (H-M symbol :val:`P 2`, extended H-M symbol :val:`P 1 2 1`, Hall symbol :val:`P 2y`): :val:`["x,y,z", "-x,y,-z"]` - Space group operations for the space group with ITC number 5 (H-M symbol :val:`C 2`, extended H-M symbol :val:`C 1 2 1`, Hall symbol :val:`C 2y`): :val:`["x,y,z", "-x,y,-z", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z"]` - **Notes:** The list of space group symmetry operations applies to the whole periodic array of atoms and together with the lattice translations given in the :property:`lattice_vectors` property provides the necessary information to reconstruct all atom site positions of the periodic material. Thus, the symmetry operations described in this property are only applicable to material models with at least one periodic dimension. This property is not meant to represent arbitrary symmetries of molecules, non-periodic (finite) collections of atoms or non-crystallographic symmetry. - **Bibliographic References**: Bradley, C. J. and Cracknell, A. P. (1972) The Mathematical Theory of Symmetry in Solids. Oxford, Clarendon Press (paperback edition 2010) 745 p. ISBN `978-0-19-958258-7 `__. IUCr (2023) Core dictionary (coreCIF) version 2.4.5; data name `\_space\_group\_symop\_operation\_xyz`. Available from: https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_symop_operation_xyz.html [Accessed 2023-06-18T16:46+03:00]. space\_group\_symbol\_hall ~~~~~~~~~~~~~~~~~~~~~~~~~~ - **Description**: A Hall space group symbol representing the symmetry of the structure as defined in (Hall, 1981, 1981a). - **Type**: string - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - The change-of-basis operations are used as defined in the International Tables of Crystallography (ITC) Vol. B, Sect. 1.4, Appendix A1.4.2 (IUCr, 2001). - Each component of the Hall symbol MUST be separated by a single space symbol. - If there exists a standard Hall symbol which represents the symmetry it SHOULD be used. - MUST be :val:`null` if :property:`nperiodic_dimensions` is not equal to 3. - **Examples**: - Space group symbols with explicit origin (the Hall symbols): - :val:`P 2c -2ac` - :val:`-I 4bd 2ab 3` - Space group symbols with change-of-basis operations: - :val:`P 2yb (-1/2*x+z,1/2*x,y)` - :val:`-I 4 2 (1/2*x+1/2*y,-1/2*x+1/2*y,z)` - **Bibliographic References**: Hall, S. R. (1981) Space-group notation with an explicit origin. Acta Crystallographica Section A, 37, 517-525, International Union of Crystallography (IUCr), DOI: https://doi.org/10.1107/s0567739481001228 Hall, S. R. (1981a) Space-group notation with an explicit origin; erratum. Acta Crystallographica Section A, 37, 921-921, International Union of Crystallography (IUCr), DOI: https://doi.org/10.1107/s0567739481001976 IUCr (2001). International Tables for Crystallography vol. B. Reciprocal Space. Ed. U. Shmueli. 2-nd edition. Dordrecht/Boston/London, Kluwer Academic Publishers. space\_group\_symbol\_hermann\_mauguin ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - **Description** A human- and machine-readable string containing the short Hermann-Mauguin (H-M) symbol which specifies the space group of the structure in the response. - **Type**: string - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - The H-M symbol SHOULD aim to convey the closest representation of the symmetry information that can be specified using the short format used in the International Tables for Crystallography vol. A (IUCr, 2005), Table 4.3.2.1 as described in the accompanying text. - The symbol MAY be a non-standard short H-M symbol. - The H-M symbol does not unambiguously communicate the axis, cell, and origin choice, and the given symbol SHOULD NOT be amended to convey this information. - To encode as character strings, the following adaptations MUST be made when representing H-M symbols given in their typesetted form: - the overbar above the numbers MUST be changed to the minus sign in front of the digit (e.g. '-2'); - subscripts that denote screw axes are written as digits immediately after the axis designator without a space (e.g. 'P 32') - the space group generators MUST be separated by a single space (e.g. 'P 21 21 2'); - there MUST be no spaces in the space group generator designation (i.e. use 'P 21/m', not the 'P 21 / m'); - **Examples**: - :val:`C 2` - :val:`P 21 21 21` - **Bibliographic References**: IUCr (2005). International Tables for Crystallography vol. A. Space-Group Symmetry. Ed. Theo Hahn. 5-th edition. Dordrecht, Springer. space\_group\_symbol\_hermann\_mauguin\_extended ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - **Description** A human- and machine-readable string containing the extended Hermann-Mauguin (H-M) symbol which specifies the space group of the structure in the response. - **Type**: string - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - The H-M symbols SHOULD be given as specified in the International Tables for Crystallography vol. A (IUCr, 2005), Table 4.3.2.1. - The change-of-basis operation SHOULD be provided for the non-standard axis and cell choices. - The extended H-M symbol does not unambiguously communicate the origin choice, and the given symbol SHOULD NOT be amended to convey this information. - The description of the change-of-basis SHOULD follow conventions of the ITC Vol. B, Sect. 1.4, Appendix A1.4.2 (IUCr, 2001). - The same character string encoding conventions MUST be used as for the specification of the :property:`space_group_symbol_hermann_mauguin` property. - **Examples**: - :val:`C 1 2 1` - **Bibliographic References**: IUCr (2001). International Tables for Crystallography vol. B. Reciprocal Space. Ed. U. Shmueli. 2-nd edition. Dordrecht/Boston/London, Kluwer Academic Publishers. IUCr (2005). International Tables for Crystallography vol. A. Space-Group Symmetry. Ed. Theo Hahn. 5-th edition. Dordrecht, Springer. space\_group\_it\_number ~~~~~~~~~~~~~~~~~~~~~~~~ - **Description**: Space group number which specifies the space group of the structure as defined in the International Tables for Crystallography Vol. A. (IUCr, 2005). - **Type**: integer - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - The integer value MUST be between 1 and 230. - MUST be :val:`null` if :property:`nperiodic_dimensions` is not equal to 3. cartesian\_site\_positions ~~~~~~~~~~~~~~~~~~~~~~~~~~ - **Description**: Cartesian positions of each site in the structure. A site is usually used to describe positions of atoms; what atoms can be encountered at a given site is conveyed by the :property:`species_at_sites` property, and the species themselves are described in the :property:`species` property. - **Type**: list of list of floats - **Requirements/Conventions**: - **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. If supported, filters MAY support only a subset of comparison operators. - It MUST be a list of length equal to the number of sites in the structure, where every element is a list of the three Cartesian coordinates of a site expressed as float values in the unit angstrom (Å). - An entry MAY have multiple sites at the same Cartesian position (for a relevant use of this, see e.g., the property `assemblies`_). - **Examples**: - :val:`[[0,0,0],[0,0,2]]` indicates a structure with two sites, one sitting at the origin and one along the (positive) *z*-axis, 2 Å away from the origin. fractional\_site\_positions ~~~~~~~~~~~~~~~~~~~~~~~~~~~ - **Description**: fractional coordinates (positions) of each site in the structure. A site is usually used to describe positions of atoms; what atoms can be encountered at a given site is conveyed by the :property:`species_at_sites` property, and the species themselves are described in the :property:`species` property. Site coordinates MAY be given as `cartesian_site_positions`_, `fractional_site_positions`_, or both. When symmetry operations given in `space_group_symmetry_operations_xyz`_ are applied, they MUST be applied to coordinates given in the `fractional_site_positions`_ list. - **Type**: list of list of floats - **Requirements/Conventions**: - **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. If supported, filters MAY support only a subset of comparison operators. - It MUST be a list of length equal to the number of sites in the structure, where every element is a list of the three fractional coordinates of a site expressed as float values in the fractions of the unit cell vectors given by the `lattice_vectors`_ property. - An entry MAY have multiple sites at the same site position (for a relevant use of this, see e.g., the property `assemblies`_). - **Note**: Since both `cartesian_site_positions`_ and `fractional_site_positions`_ always describe the same sites, they MUST always have the same number of elements, equal to the number of elements in the `species_at_sites`_ list. - **Examples**: - :val:`[[0,0,0],[0,0,0.2]]` indicates a structure with two sites, one sitting at the origin and one along the third unit cell axis (*c*-axis), 1/5-th (0.2) of the vector *c* in the direction of the vector *c* from the origin. site\_coordinate\_span ~~~~~~~~~~~~~~~~~~~~~~ - **Description** Indicates the extent of the material (crystal) described in the response. In particular, properties `cartesian_site_positions`_ and `fractional_site_positions`_ MUST contain all sites *belonging* to the described extent. - **Type**: string - **Requirements/conventions**: - **Support**: MUST be supported by all implementations if coordinates in `fractional_site_positions`_ are returned. It SHOULD be supported if coordinates in `cartesian_site_positions`_ are returned. - **Query**: Support for queries on this property is OPTIONAL. - The value of this property MUST be one of the following: - :val:`"fundamental_domain"`: means that sites described in the response span a fundamental domain (Vinberg, 1994; European Mathematical Society, 2020) of a periodic system. When a server indicates this span in the response, it MUST provide those sites that enable reconstruction of the whole periodic system by applying symmetry operations from `space_group_symmetry_operations_xyz`_ property and then applying translations given by `lattice_vectors`_. The fundamental domain does not need to be a connected space region. - :val:`"asymmetric_unit"`: all sites are in a simply connected space region that is a fundamental domain, as per IUCr Online Dictionary of Crystallography definition (IUCr, 2017). - :val:`"molecular_fundamental_domain"`: a fundamental domain where all atoms connected by covalent or donor-acceptor coordination bonds are adjacent to each other, placed at a bond distance. - :val:`"molecular_asymmetric_unit"`: an asymmetric unit (a simply connected fundamental domain) where all atoms bound by covalent or donor-acceptor coordination bonds are adjacent to each other, placed at a bond distance. - :val:`"unit_cell"`: a full unit cell of a periodic system (crystal), i.e., any repeating unit chosen by the server defined by the property :property:`lattice_vectors`. For this span, the server MUST provide a set of sites in the response that can be used to reconstruct the whole periodic system (crystal) by simply applying translations from the `lattice_vectors`_ property to those sites. - :val:`"molecular_unit_cell"`: same as :val:`"unit_cell"`, but in addition places atoms that are bound by covalent or coordination bonds at a bond distance from each other. - :val:`"molecular_entities"`: sets of atoms that are bound by covalent or coordination bonds, as per IUPAC definition of a 'molecular entity'. This set of sites MAY be larger than a fundamental domain. - :val:`"other"`: any other collection of sites that does not fit the enumerated values above. - :val:`null`: if omitted or :val:`null`, the default value of :property:`site_coordinate_span` is :val:`unit_cell`. This is the assumed behavior of all main implementations before the :property:`site_coordinate_span` definition was introduced. - **Note**: In all cases it is RECOMMENDED that only the minimal set of the sites that is needed to reconstruct the whole material is provided. For example, for the 'unit_cell' span the server SHOULD NOT return sites that can be obtained from other returned sites through the translations given in :property:`lattice_vectors`; only a non-redundant set of sites SHOULD be provided. - **Bibliographic References**: E.B. Vinberg (originator). (1994) Encyclopedia of Mathematics. ISBN `1402006098 `__, URL: https://encyclopediaofmath.org/index.php?title=Fundamental_domain&oldid=13590 [accessed 2025-04-30T08:55+03:00]. European Mathematical Society (2020). Fundamental domain. Encyclopedia of Mathematics. URL: http://encyclopediaofmath.org/index.php?title=Fundamental_domain&oldid=47023 [accessed 2025-04-30T08:53+03:00]. IUCr (2017). Asymmetric unit. Online Dictionary of Crystallography, URL: https://dictionary.iucr.org/Asymmetric_unit [accessed 2025-04-30T09:01+03:00]. site\_coordinate\_span\_description ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - **Description** Human-readable semi-formal characterization of the coordinate span when the `site_coordinate_span`_ property has value :val:`"other"`. - **Type**: string - **Example**: :val:`"Two fullerene molecules with a VdW contact."` nsites ~~~~~~ - **Description**: An integer specifying the number of sites in a unit cell defined by the field :property:`lattice_vectors`. - **Type**: integer - **Requirements/Conventions**: - **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`. - **Query**: MUST be a queryable property with support for all mandatory filter features. - **Examples**: - :val:`42` - **Query examples**: - Match only structures with exactly 4 sites: :filter:`nsites=4` - Match structures that have between 2 and 7 sites: :filter:`nsites>=2 AND nsites<=7` species\_at\_sites ~~~~~~~~~~~~~~~~~~ - **Description**: Name of the species at each site (where values for sites are specified with the same order of the property `cartesian_site_positions`_ and/or `fractional_site_positions`_). The properties of the species are found in the property `species`_. - **Type**: list of strings. - **Requirements/Conventions**: - **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. If supported, filters MAY support only a subset of comparison operators. - MUST have length equal to the number of sites in the structure (first dimension of the list properties `cartesian_site_positions`_ and/or `fractional_site_positions`_). - Each species name mentioned in the :property:`species_at_sites` list MUST be described in the list property `species`_ (i.e. for each value in the :property:`species_at_sites` list there MUST exist exactly one dictionary in the :property:`species` list with the :property:`name` attribute equal to the corresponding :property:`species_at_sites` value). - Each site MUST be associated only to a single species. **Note**: However, species can represent mixtures of atoms, and multiple species MAY be defined for the same chemical element. This latter case is useful when different atoms of the same type need to be grouped or distinguished, for instance in simulation codes to assign different initial spin states. - **Examples**: - :val:`["Ti","O2"]` indicates that the first site is hosting a species labeled :val:`"Ti"` and the second a species labeled :val:`"O2"`. - :val:`["Ac", "Ac", "Ag", "Ir"]` indicates that the first two sites contain the :val:`"Ac"` species, while the third and fourth sites contain the :val:`"Ag"` and :val:`"Ir"` species, respectively. species ~~~~~~~ - **Description**: A list describing the species of the sites of this structure. Species can represent pure chemical elements, virtual-crystal atoms representing a statistical occupation of a given site by multiple chemical elements, and/or a location to which there are attached atoms, i.e., atoms whose precise location are unknown beyond that they are attached to that position (frequently used to indicate hydrogen atoms attached to another element, e.g., a carbon with three attached hydrogens might represent a methyl group, -CH3). - **Type**: list of dictionary with keys: - :property:`name`: string (REQUIRED) - :property:`chemical_symbols`: list of strings (REQUIRED) - :property:`concentration`: list of float (REQUIRED) - :property:`attached`: list of strings (OPTIONAL) - :property:`nattached`: list of integers (OPTIONAL) - :property:`mass`: list of floats (OPTIONAL) - :property:`original_name`: string (OPTIONAL). - **Requirements/Conventions**: - **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. If supported, filters MAY support only a subset of comparison operators. - Each list member MUST be a dictionary with the following keys: - **name**: REQUIRED; gives the name of the species; the **name** value MUST be unique in the :property:`species` list; - **chemical\_symbols**: REQUIRED; MUST be a list of strings of all chemical elements composing this species. Each item of the list MUST be one of the following: - a valid chemical-element symbol, or - the special value :val:`"X"` to represent a non-chemical element, or - the special value :val:`"vacancy"` to represent that this site has a non-zero probability of having a vacancy (the respective probability is indicated in the :property:`concentration` list, see below). If any one entry in the :property:`species` list has a :property:`chemical_symbols` list that is longer than 1 element, the correct flag MUST be set in the list :property:`structure_features` (see property `structure_features`_). - **concentration**: REQUIRED; MUST be a list of floats, with same length as :property:`chemical_symbols`. The numbers represent the relative concentration of the corresponding chemical symbol in this species. The numbers SHOULD sum to one. Cases in which the numbers do not sum to one typically fall only in the following two categories: - Numerical errors when representing float numbers in fixed precision, e.g. for two chemical symbols with concentrations :val:`1/3` and :val:`2/3`, the concentration might look something like :val:`[0.33333333333, 0.66666666666]`. If the client is aware that the sum is not one because of numerical precision, it can renormalize the values so that the sum is exactly one. - Experimental errors in the data present in the database. In this case, it is the responsibility of the client to decide how to process the data. Note that concentrations are uncorrelated between different sites (even of the same species). - **attached**: OPTIONAL; if provided MUST be a list of length 1 or more of strings of chemical symbols for the elements attached to this site, or "X" for a non-chemical element. - **nattached**: OPTIONAL; if provided MUST be a list of length 1 or more of integers indicating the number of attached atoms of the kind specified in the value of the :field:`attached` key. The implementation MUST include either both or none of the :field:`attached` and :field:`nattached` keys, and if they are provided, they MUST be of the same length. Furthermore, if they are provided, the `structure_features`_ property MUST include the string :val:`site_attachments`. - **mass**: OPTIONAL. If present MUST be a list of floats, with the same length as :property:`chemical_symbols`, providing element masses expressed in a.m.u. Elements denoting vacancies MUST have masses equal to 0. - **original\_name**: OPTIONAL. Can be any valid Unicode string, and SHOULD contain (if specified) the name of the species that is used internally in the source database. **Note**: With regard to "source database", we refer to the immediate source being queried via the OPTIMADE API implementation. The main use of this field is for source databases that use species names, containing characters that are not allowed (see description of the list property `species_at_sites`_). - For systems that have only species formed by a single chemical symbol, and that have at most one species per chemical symbol, SHOULD use the chemical symbol as species name (e.g., :val:`"Ti"` for titanium, :val:`"O"` for oxygen, etc.) However, note that this is OPTIONAL, and client implementations MUST NOT assume that the key corresponds to a chemical symbol, nor assume that if the species name is a valid chemical symbol, that it represents a species with that chemical symbol. This means that a species :val:`{"name": "C", "chemical_symbols": ["Ti"], "concentration": [1.0]}` is valid and represents a titanium species (and *not* a carbon species). - It is NOT RECOMMENDED that a structure includes species that do not have at least one corresponding site. - **Examples**: - :val:`[ {"name": "Ti", "chemical_symbols": ["Ti"], "concentration": [1.0]} ]`: any site with this species is occupied by a Ti atom. - :val:`[ {"name": "Ti", "chemical_symbols": ["Ti", "vacancy"], "concentration": [0.9, 0.1]} ]`: any site with this species is occupied by a Ti atom with 90 % probability, and has a vacancy with 10 % probability. - :val:`[ {"name": "BaCa", "chemical_symbols": ["vacancy", "Ba", "Ca"], "concentration": [0.05, 0.45, 0.5], "mass": [0.0, 137.327, 40.078]} ]`: any site with this species is occupied by a Ba atom with 45 % probability, a Ca atom with 50 % probability, and by a vacancy with 5 % probability. - :val:`[ {"name": "C12", "chemical_symbols": ["C"], "concentration": [1.0], "mass": [12.0]} ]`: any site with this species is occupied by a carbon isotope with mass 12. - :val:`[ {"name": "C13", "chemical_symbols": ["C"], "concentration": [1.0], "mass": [13.0]} ]`: any site with this species is occupied by a carbon isotope with mass 13. - :val:`[ {"name": "CH3", "chemical_symbols": ["C"], "concentration": [1.0], "attached": ["H"], "nattached": [3]} ]`: any site with this species is occupied by a methyl group, -CH3, which is represented without specifying precise positions of the hydrogen atoms. assemblies ~~~~~~~~~~ - **Description**: A description of groups of sites that are statistically correlated. - **Type**: list of dictionary with keys: - :property:`sites_in_groups`: list of list of integers (REQUIRED) - :property:`group_probabilities`: list of floats (REQUIRED) - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. If supported, filters MAY support only a subset of comparison operators. - The property SHOULD be :val:`null` for entries that have no partial occupancies. - If present, the correct flag MUST be set in the list :property:`structure_features` (see property `structure_features`_). - Client implementations MUST check its presence (as its presence changes the interpretation of the structure). - If present, it MUST be a list of dictionaries, each of which represents an assembly and MUST have the following two keys: - **sites\_in\_groups**: Index of the sites (0-based) that belong to each group for each assembly. Example: :val:`[[1], [2]]`: two groups, one with the second site, one with the third. Example: :val:`[[1,2], [3]]`: one group with the second and third site, one with the fourth. - **group\_probabilities**: Statistical probability of each group. It MUST have the same length as :property:`sites_in_groups`. It SHOULD sum to one. See below for examples of how to specify the probability of the occurrence of a vacancy. The possible reasons for the values not to sum to one are the same as already specified above for the :property:`concentration` of each :property:`species`, see property `species`_. - If a site is not present in any group, it means that it is present with 100 % probability (as if no assembly was specified). - A site MUST NOT appear in more than one group. - **Examples** (for each entry of the assemblies list): - :val:`{"sites_in_groups": [[0], [1]], "group_probabilities": [0.3, 0.7]}`: the first site and the second site never occur at the same time in the unit cell. Statistically, 30 % of the times the first site is present, while 70 % of the times the second site is present. - :val:`{"sites_in_groups": [[1,2], [3]], "group_probabilities": [0.3, 0.7]}`: the second and third sites are either present together or not present; they form the first group of atoms for this assembly. The second group is formed by the fourth site. Sites of the first group (the second and the third) are never present at the same time as the fourth site. 30 % of times sites 1 and 2 are present (and site 3 is absent); 70 % of times site 3 is present (and sites 1 and 2 are absent). - **Notes**: - Assemblies are essential to represent, for instance, the situation where an atom can statistically occupy two different positions (sites). - By defining groups, it is possible to represent, e.g., the case where a functional molecule (and not just one atom) is either present or absent (or the case where it is present in two conformations). - Considerations on virtual alloys and on vacancies: In the special case of a virtual alloy, these specifications allow two different, equivalent ways of specifying them. For instance, for a site at the origin with 30 % probability of being occupied by Si, 50 % probability of being occupied by Ge, and 20 % of being a vacancy, the following two representations are possible: - Using a single species: .. code:: jsonc { "cartesian_site_positions": [[0,0,0]], "species_at_sites": ["SiGe-vac"], "species": [ { "name": "SiGe-vac", "chemical_symbols": ["Si", "Ge", "vacancy"], "concentration": [0.3, 0.5, 0.2] } ] // ... } - Using multiple species and the assemblies: .. code:: jsonc { "cartesian_site_positions": [ [0,0,0], [0,0,0], [0,0,0] ], "species_at_sites": ["Si", "Ge", "vac"], "species": [ { "name": "Si", "chemical_symbols": ["Si"], "concentration": [1.0] }, { "name": "Ge", "chemical_symbols": ["Ge"], "concentration": [1.0] }, { "name": "vac", "chemical_symbols": ["vacancy"], "concentration": [1.0] } ], "assemblies": [ { "sites_in_groups": [ [0], [1], [2] ], "group_probabilities": [0.3, 0.5, 0.2] } ] // ... } - It is up to the database provider to decide which representation to use, typically depending on the internal format in which the structure is stored. However, given a structure identified by a unique ID, the API implementation MUST always provide the same representation for it. - The probabilities of occurrence of different assemblies are uncorrelated. So, for instance in the following case with two assemblies: .. code:: jsonc { "assemblies": [ { "sites_in_groups": [ [0], [1] ], "group_probabilities": [0.2, 0.8] }, { "sites_in_groups": [ [2], [3] ], "group_probabilities": [0.3, 0.7] } ] } Site 0 is present with a probability of 20 % and site 1 with a probability of 80 %. These two sites are correlated (either site 0 or 1 is present). Similarly, site 2 is present with a probability of 30 % and site 3 with a probability of 70 %. These two sites are correlated (either site 2 or 3 is present). However, the presence or absence of sites 0 and 1 is not correlated with the presence or absence of sites 2 and 3 (in the specific example, the pair of sites (0, 2) can occur with 0.2\*0.3 = 6 % probability; the pair (0, 3) with 0.2\*0.7 = 14 % probability; the pair (1, 2) with 0.8\*0.3 = 24 % probability; and the pair (1, 3) with 0.8\*0.7 = 56 % probability). wyckoff\_positions ~~~~~~~~~~~~~~~~~~ - **Description**: A list of Wyckoff symbols of sites (where values for sites are specified with the same order of the property `cartesian_site_positions`_ and/or `fractional_site_positions`_). - **Type**: list of strings - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. If supported, filters MAY support only a subset of comparison operators. - MUST have length equal to the number of sites in the structure (first dimension of the list properties `cartesian_site_positions`_ and/or `fractional_site_positions`_). - If provided, MUST list a single letter (`a`-`z` or `α`) Wyckoff position for each site in the structure according to the International Tables for Crystallography vol. A (IUCr, 2016). - **Bibliographic References**: IUCr (2016). International Tables for Crystallography vol. A. Space-group Symmetry, Ed. M. I. Aroyo, 6-th edition. Chichester, John Wiley & Sons. structure\_features ~~~~~~~~~~~~~~~~~~~ - **Description**: A list of strings that flag which special features are used by the structure. - **Type**: list of strings - **Requirements/Conventions**: - **Support**: MUST be supported by all implementations, MUST NOT be :val:`null`. - **Query**: MUST be a queryable property. Filters on the list MUST support all mandatory HAS-type queries. Filter operators for comparisons on the string components MUST support equality, support for other comparison operators are OPTIONAL. - MUST be an empty list if no special features are used. - MUST be sorted alphabetically. - If a special feature listed below is used, the list MUST contain the corresponding string. - If a special feature listed below is not used, the list MUST NOT contain the corresponding string. - **List of strings used to indicate special structure features**: - :val:`disorder`: this flag MUST be present if any one entry in the `species`_ list has a :field:`chemical_symbols` list that is longer than 1 element. - :val:`implicit_atoms`: this flag MUST be present if the structure contains atoms that are not assigned to sites via the property `species_at_sites`_ (e.g., because their positions are unknown). When this flag is present, the properties related to the chemical formula will likely not match the type and count of atoms represented by the `species_at_sites`_, `species`_, and `assemblies`_ properties. - :val:`site_attachments`: this flag MUST be present if any one entry in the `species`_ list includes :field:`attached` and :field:`nattached`. - :val:`assemblies`: this flag MUST be present if the property `assemblies`_ is present. - **Examples**: - A structure having implicit atoms and using assemblies: :val:`["assemblies", "implicit_atoms"]` optimization\_type ~~~~~~~~~~~~~~~~~~ - **Description**: A string that classifies the type of optimization that has resulted in the structural data. - **Type**: string - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - If the property is :val:`null` or omitted, no information is provided about the type of optimization used to obtain the structural data. - If present and not :val:`null`, the property SHOULD take one of the following values: * :val:`experimental`: the structure results from an optimization or refinement process part of an experimental technique, e.g., minimization of the discrepancy between observed and predicted scattered amplitudes from diffraction data. * :val:`hybrid`: the structure is the result of the combination of an experiment and further optimization based on a reasonable theoretical energy model so that it remains a fair representation of the original experimental structure. For example, experimental structures relaxed using *ab initio* calculations are in this category. Structures where the experimental coordinates are kept, but one or more elements are substituted for other elements, are not included in this category. * :val:`global`: the structure has been optimized using a theoretical technique based on a reasonable energy model in a way that takes into account the global energy surface. The structure has been optimized into the global energy minimum or into a local minimum within an energy range of the global minimum commonly considered for potential metastability (typically on the scale of 100 meV/atom). A common technique for this type of optimization is to construct the convex hull of thermodynamical stability from the known minima and dismiss structures outside the relevant energy range. * :val:`local`: the structure has been optimized using a theoretical technique based on a reasonable energy model into a local minimum of the energy surface. For example, structures relaxed using *ab initio* calculations without consideration of the energy of other minima in configuration space qualify for this category. * :val:`none`: the structure has not undergone an optimization process and is thus, in some sense, arbitrary. Structures of this kind can come from, e.g., randomly generated coordinates or non-equilibrium snapshots. * :val:`indeterminate`: the database declares that the type of optimization used for this specific entry cannot be determined, e.g., because that information is missing. This value represents a stronger statement (that the database knows that the type of optimization is not known) than an omitted classification (i.e., the field is missing or has the value :val:`null`) which communicates that the property is unknown only in the sense discussed in the section `Properties with an unknown value`_.) * :val:`other`: the structure is the result of some optimization process, but none of the other categories correctly represents the type of optimization used. Other strings prefixed by a database-specific prefix, e.g., `_exmpl_optimized_on_fixed_grid`, SHOULD NOT be used. Other non-standard strings MUST NOT be used. Clients encountering unrecognized strings SHOULD treat them to mean the same as the field having the value :val:`"other"`. Structures produced by AI models and other techniques that have been reasonably tested to reliably generate results equivalent to structural optimization using energy models SHOULD be classified the same as if that type of energy model had been used. - **Examples**: - For a structure entry directly encoding structural information obtained from a neutron diffraction experiment: :val:`"experimental"`. - For a structure entry that encodes the structural information from a theoretical relaxation of an :val:`"experimental"` entry using computational software that implements density functional theory: :val:`"hybrid"`. Trajectories Entries -------------------- - **Description**: The :entry:`trajectories` entry is used to share data belonging to ordered sequences of structures such as, for example, those originating from molecular dynamics or Monte Carlo simulations. Individual steps of trajectories are referred to as frames. :entry:`trajectories` entries have: - the properties described in the section `Properties Used by Multiple Entry Types`_; - the properties `nframes`_ and `reference_frames`_, described below; - all custom properties defined in the `Structures Entries`_ endpoint are also used for trajectories, with the following difference: each property is extended by wrapping it in a list, so that each custom property of a :entry:`structures` resource becomes a list with an additional first dimension of size `nframes`_ (with dimension name ``dim_frames``, as defined in the property definition). This allows these properties to be defined for each frame, and thus possibly change during the trajectory. Moreover, for data-transfer efficiency reasons, all these properties have their first dimension ``dim_frames`` defined as compactable in the :field:`compactable` field of their property definition. The server MAY thus return the corresponding data using the `Compact list representation`_ format, if the property values are not changing over the trajectory. For example, the property `lattice_vectors`_ for a trajectory with 100 frames would be a three-dimensional list of floats, where the first dimension has a size of 100 (the number of frames), and the second and third dimensions have a size of 3 (representing the lattice vectors at each frame). Other database-specific properties MAY also be provided. These might include properties computed for all or some frames, such as the energy, the pressure or the temperature. We stress that, in general, if any property consists of a very large amount of data (which might be a common case for trajectories), the server MAY decide to not return the data directly in the response, but using instead the large-property transfer protocol described in the section `Transmission of large property values`_. nframes ~~~~~~~ - **Description**: The number of frames in the trajectory. This value indicated the number of frames stored in the data, and may deviate from the number of steps used to calculate the trajectory. For example, a 10 ps simulation with calculation steps of 1 fs where data is stored once every 50 fs, `nframes`_ will be 200. - **Type**: integer - **Requirements/Conventions**: - **Support**: MUST be supported by all implementations, i.e., MUST NOT be :val:`null`. - **Query**: MUST be a queryable property with support for all mandatory filter features. - The integer value MUST be equal to the number of frames in the trajectory (i.e., the length of the `dim_frames` dimension). - The integer MUST be a positive non-zero value. - **Querying**: - A filter that matches trajectories that have exactly 100 frames: - :filter:`nframes=100` - A filter that matches trajectories that have between 100 and 1000 frames: - :filter:`nframes>=100 AND nframes<=1000` - **Examples**: - :val:`42` reference_frames ~~~~~~~~~~~~~~~~ - **Description**: The indices of a set of frames that give a good but very brief overview of the trajectory. The first reference frame could for example be a starting configuration, the second a transition state and the third the final state. - **Type**: list of integers - **Requirements/Conventions**: The values MUST be larger than or equal to 0 and less than :val:`nframes`. - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. If supported, filters MAY support only a subset of comparison operators. - **Examples**: - :val:`[0, 397, 1000]` Examples of a returned trajectory ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ This is an example of the data field of a JSON object that could be returned after the following query: :query-url:`http://example.com/optimade/v1/trajectories/traj00000001` .. code:: jsonc { "data":{ "id": "traj00000001", "type": "trajectories", "attributes": { "last_modified":"2021-07-16T18:02:03Z", "elements": [["H","O"]], "nelements": [2], "elements_ratios": [[0.666667,0.333333]], "chemical_formula_descriptive": ["H2O"], "chemical_formula_reduced": ["H2O"], "chemical_formula_anonymous": ["A2B"], "dimension_types":[[0,0,0]], "nperiodic_dimensions": [0], "lattice_vectors" : [[[4.0,0.0,0.0],[0.0,4.0,0.0],[0.0,0.0,4.0]]], "cartesian_site_positions" : null, "nsites":[3], "species_at_sites":[["O1","H1","H2"]], "species":[[ { "name":"O1", "chemical_symbols":["O"], "concentration":[1.0] }, { "name":"H1", "chemical_symbols":["H"], "concentration":[1.0] }, { "name":"H2", "chemical_symbols":["H"], "concentration":[1.0] } ]], "reference_frames": [0], "nframes": 360, "_exmpl_temperature": null, "_exmpl_ekin": null }, "meta":{ "partial_data_links": { "cartesian_site_positions": [ { "format": "jsonlines", "link": "https://example.org/optimade/v1.2/extensions/partial_data/trajectories/traj00000001/cartesian_site_positions/jsonlines" },{ "format": "_exmpl_xyz", "link": "https://example.org/optimade/v1.2/extensions/partial_data/trajectories/traj00000001/cartesian_site_positions/xyz" } ], "_exmpl_temperature": [ { "format": "jsonlines", "link": "https://example.org/optimade/v1.2/extensions/partial_data/trajectories/traj00000001/temperature/jsonlines" } ], "_exmpl_ekin": [ { "format": "jsonlines", "link": "https://example.org/optimade/v1.2/extensions/partial_data/trajectories/traj00000001/ekin/jsonlines" } ] } }, "relationships": { "references": { "data": [ { "type": "references", "id": "dummy/2019" } ] } } } //... } Note how, in this example, several properties use the constant compact format, such as :field:`elements`, :field:`nelements`, :field:`elements_ratios`, ... Furthermore, other properties (:field:`cartesian_site_positions`, :field:`_exmpl_temperature`, and :field:`_exmpl_ekin`) are not included directly in the response, but are instead made available via the large-property transfer protocol using the links in the :field:`partial_data_links` section of the :field:`meta` field. Calculations Entries -------------------- The :entry:`calculations` entries have the properties described above in section `Properties Used by Multiple Entry Types`_. Related :entry:`files` entries specified as relationships (as described in section `Relationships`_) list files used or produced by a calculation. They MAY be defined as either input or output files by the :field:`role` field inside the :field:`meta` dictionary of the JSON:API resource identifier object. The allowed values are :val:`input` for input files and :val:`output` for output files. If the :field:`role` field is not provided or the value is set to :val:`null`, a default role SHOULD NOT be assumed. It is RECOMMENDED to order the output files in the list of calculation's relationships in a way that prioritizes the files most likely to contain details which could be used to automatically analyze the performed calculation. Such an approach minimizes the number of calculation output files that need to be analyzed to possibly identify the code, type and parameters of the performed calculation. References Entries ------------------ The :entry:`references` entries describe bibliographic references. The following properties are used to provide the bibliographic details: - **address**, **annote**, **booktitle**, **chapter**, **crossref**, **edition**, **howpublished**, **institution**, **journal**, **key**, **month**, **note**, **number**, **organization**, **pages**, **publisher**, **school**, **series**, **title**, **volume**, **year**: meanings of these properties match the `BibTeX specification `__, values are strings; - **bib_type**: type of the reference, corresponding to **type** property in the BibTeX specification, value is string; - **authors** and **editors**: lists of *person objects* which are dictionaries with the following keys: - **name**: Full name of the person, REQUIRED. - **firstname**, **lastname**: Parts of the person's name, OPTIONAL. - **doi** and **url**: values are strings. - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., any of the properties MAY be :val:`null`. - **Query**: Support for queries on any of these properties is OPTIONAL. If supported, filters MAY support only a subset of comparison operators. - Every references entry MUST contain at least one of the properties. Example: .. code:: jsonc { "data": { "type": "references", "id": "Dijkstra1968", "attributes": { "authors": [ { "name": "Edsger Dijkstra", "firstname": "Edsger", "lastname": "Dijkstra" } ], "year": "1968", "title": "Go To Statement Considered Harmful", "journal": "Communications of the ACM", "doi": "10.1145/362929.362947" } } } Files Entries ------------- The :entry:`files` entries describe files. The following properties are used to do so: url ~~~ - **Description**: The URL to get the contents of a file. - **Type**: string - **Requirements/Conventions**: - **Support**: MUST be supported by all implementations, MUST NOT be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - **Response**: REQUIRED in the response. - The URL MUST point to the actual contents of a file (i.e. byte stream), not an intermediate (preview) representation. For example, if referring to a file on GitHub, a link should point to raw contents. - **Examples**: - :val:`"https://example.org/files/cifs/1000000.cif"` url\_stable\_until ~~~~~~~~~~~~~~~~~~ - **Description**: Point in time until which the URL in :property:`url` is guaranteed to stay stable. - **Type**: timestamp - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - :val:`null` means that there is no stability guarantee for the URL in :property:`url`. Indefinite support could be communicated by providing a date sufficiently far in the future, for example, :val:`9999-12-31`. name ~~~~ - **Description**: Base name of a file. - **Type**: string - **Requirements/Conventions**: - **Support**: MUST be supported by all implementations, MUST NOT be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - File name extension is an integral part of a file name and, if available, MUST be included. - **Examples**: - :val:`"1000000.cif"` size ~~~~ - **Description**: Size of a file in bytes. - **Type**: integer - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - If provided, it MUST be guaranteed that either exact size of a file is given or its upper bound. This way if a client reserves a static buffer or truncates the download stream after this many bytes the whole file would be received. Such provision is included to allow the providers to serve on-the-fly compressed files. media\_type ~~~~~~~~~~~ - **Description**: Media type identifier (also known as MIME type), for a file as per `RFC 6838 Media Type Specifications and Registration Procedures `__. - **Type**: string - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - **Examples**: - :val:`"chemical/x-cif"` version ~~~~~~~ - **Description**: Version information of a file (e.g. commit, revision, timestamp). - **Type**: string - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - If provided, it MUST be guaranteed that file contents pertaining to the same combination of :field:`id` and :field:`version` are the same. modification\_timestamp ~~~~~~~~~~~~~~~~~~~~~~~ - **Description**: Timestamp of the last modification of file contents. A modification is understood as an addition, change or deletion of one or more bytes, resulting in file contents different from the previous. - **Type**: timestamp - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - Timestamps of subsequent file modifications SHOULD be increasing (not earlier than previous timestamps). description ~~~~~~~~~~~ - **Description**: Free-form description of a file. - **Type**: string - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - **Examples**: - :val:`"POSCAR format file"` checksums ~~~~~~~~~ * **Description**: Dictionary providing checksums of file contents. * **Type**: dictionary with keys identifying checksum functions and values (strings) giving the actual checksums * **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - Supported dictionary keys: :property:`md5`, :property:`sha1`, :property:`sha224`, :property:`sha256`, :property:`sha384`, :property:`sha512`. Checksums outside this list MAY be used, but their names MUST be prefixed by a database-provider-specific namespace prefix (see appendix `Namespace Prefixes`_). atime ~~~~~ - **Description**: Time of last access of a file as per POSIX standard. - **Type**: timestamp - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. ctime ~~~~~ - **Description**: Time of last status change of a file as per POSIX standard. - **Type**: timestamp - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. mtime ~~~~~ - **Description**: Time of last modification of a file as per POSIX standard. - **Type**: timestamp - **Requirements/Conventions**: - **Support**: OPTIONAL support in implementations, i.e., MAY be :val:`null`. - **Query**: Support for queries on this property is OPTIONAL. - It should be noted that the values of :field:`last_modified`, :field:`modification_timestamp` and :field:`mtime` do not necessary match. :field:`last_modified` pertains to the modification of the OPTIMADE metadata, :field:`modification_timestamp` pertains to file contents and :field:`mtime` pertains to the modification of the file (not necessary changing its contents). For example, appending an empty string to a file would result in the change of :field:`mtime` in some operating systems, but this would not be deemed as a modification of its contents. Custom Entry Types ------------------ Database and definition providers can define custom entry types. The names of such entry types MUST start with corresponding namespace prefix (see appendix `Namespace Prefixes`_). Custom entry types MUST have all properties described above in section `Properties Used by Multiple Entry Types`_. - **Requirements/Conventions for properties in custom entry types**: - **Support**: Support for any properties in database-provider-specific or definition-provider-specific entry types is fully OPTIONAL. - **Query**: Support for queries on these properties are OPTIONAL. If supported, only a subset of the filter features MAY be supported. Relationships Used by Multiple Entry Types ------------------------------------------ In accordance with section `Relationships`_, all entry types MAY use relationships to describe relations to other entries. References ~~~~~~~~~~ The references relationship is used to provide bibliographic references for any of the entry types. It relates an entry with any number of :entry:`references` entries. If the response format supports inclusion of entries of a different type in the response, then the response SHOULD include all references-type entries mentioned in the response. For example, for the JSON response format, the top-level :field:`included` field SHOULD be used as per the `JSON:API 1.1 specification `__: .. code:: jsonc { "data": { "type": "structures", "id": "example.db:structs:1234", "attributes": { "formula": "Es2", "url": "http://example.db/structs/1234", "immutable_id": "http://example.db/structs/1234@123", "last_modified": "2007-04-07T12:02:20Z" }, "relationships": { "references": { "data": [ { "type": "references", "id": "Dijkstra1968" }, { "type": "references", "id": "1234", "meta": { "description": "Reference for the general crystal prototype." } } ] } } }, "included": [ { "type": "references", "id": "Dijkstra1968", "attributes": { "authors": [ { "name": "Edsger Dijkstra", "firstname": "Edsger", "lastname": "Dijkstra" } ], "year": "1968", "title": "Go To Statement Considered Harmful", "journal": "Communications of the ACM", "doi": "10.1145/362929.362947" } }, { "type": "references", "id": "1234", "attributes": { "doi": "10.1234/1234" } } ] } Calculations ~~~~~~~~~~~~ Relationships with calculations MAY be used to indicate provenance where a structure is either an input to or an output of calculations. **Note**: We intend to implement in a future version of this API a standardized mechanism to differentiate these two cases, thus allowing databases a common way of exposing the full provenance tree with inputs and outputs between structures and calculations. At the moment the database providers are suggested to extend their API the way they choose, always using their database-provider-specific prefix in non-standardized fields. Files ~~~~~ Relationships with files may be used to relate an entry with any number of :entry:`files` entries. .. code:: jsonc { "data": { "type": "structures", "id": "example.db:structs:1234", "attributes": { "chemical_formula_descriptive": "H2O" }, "relationships": { "files": { "data": [ { "type": "files", "id": "example.db:files:1234" } ] } } }, "included": [ { "type": "files", "id": "example.db:files:1234", "attributes": { "media_type": "chemical/x-cif", "url": "https://example.org/files/cifs/1234.cif" } } ] } Appendices ========== The Filter Language EBNF Grammar -------------------------------- .. code:: ebnf (* BEGIN EBNF GRAMMAR Filter *) (* The top-level 'filter' rule: *) Filter = [Spaces], Expression ; (* Values *) OrderedConstant = String | Number ; UnorderedConstant = ( TRUE | FALSE ) ; Value = ( UnorderedConstant | OrderedValue ) ; OrderedValue = ( OrderedConstant | Property ) ; (* Note: support for Property in OrderedValue is OPTIONAL *) ValueListEntry = ( Value | ValueEqRhs | ValueRelCompRhs | FuzzyStringOpRhs ) ; (* Note: support for ValueEqRhs, ValueRelCompRhs and FuzzyStringOpRhs in ValueListEntry are OPTIONAL *) ValueList = ValueListEntry, { Comma, ValueListEntry } ; ValueZip = ValueListEntry, Colon, ValueListEntry, { Colon, ValueListEntry } ; ValueZipList = ValueZip, { Comma, ValueZip } ; (* Expressions *) Expression = ExpressionClause, [ OR, Expression ] ; ExpressionClause = ExpressionPhrase, [ AND, ExpressionClause ] ; ExpressionPhrase = [ NOT ], ( Comparison | OpeningBrace, Expression, ClosingBrace ) ; Comparison = ConstantFirstComparison | PropertyFirstComparison ; (* Note: support for ConstantFirstComparison is OPTIONAL *) ConstantFirstComparison = ( OrderedConstant, ValueOpRhs | UnorderedConstant, ValueEqRhs ) ; PropertyFirstComparison = Property, [ ValueOpRhs | KnownOpRhs | FuzzyStringOpRhs | SetOpRhs | SetZipOpRhs | LengthOpRhs ] ; (* Note: support for SetZipOpRhs in Comparison is OPTIONAL *) ValueOpRhs = ( ValueEqRhs | ValueRelCompRhs ) ; ValueEqRhs = EqualityOperator, Value ; ValueRelCompRhs = RelativeComparisonOperator, OrderedValue ; KnownOpRhs = IS, ( KNOWN | UNKNOWN ) ; FuzzyStringOpRhs = CONTAINS, Value | STARTS, [ WITH ], Value | ENDS, [ WITH ], Value ; SetOpRhs = HAS, ( ( Value | EqualityOperator, Value | RelativeComparisonOperator, OrderedValue | FuzzyStringOpRhs ) | ALL, ValueList | ANY, ValueList | ONLY, ValueList ) ; (* Note: support for the alternatives with EqualityOperator, RelativeComparisonOperator, FuzzyStringOpRhs, and ONLY in SetOpRhs are OPTIONAL *) SetZipOpRhs = PropertyZipAddon, HAS, ( ValueZip | ONLY, ValueZipList | ALL, ValueZipList | ANY, ValueZipList ) ; PropertyZipAddon = Colon, Property, { Colon, Property } ; LengthOpRhs = LENGTH, [ Operator ], Value ; (* Note: support for [ Operator ] in LengthOpRhs is OPTIONAL *) (* Property *) Property = Identifier, { Dot, Identifier } ; (* TOKENS *) (* Separators: *) OpeningBrace = '(', [Spaces] ; ClosingBrace = ')', [Spaces] ; Dot = '.', [Spaces] ; Comma = ',', [Spaces] ; Colon = ':', [Spaces] ; (* Boolean relations: *) AND = 'AND', [Spaces] ; NOT = 'NOT', [Spaces] ; OR = 'OR', [Spaces] ; IS = 'IS', [Spaces] ; KNOWN = 'KNOWN', [Spaces] ; UNKNOWN = 'UNKNOWN', [Spaces] ; CONTAINS = 'CONTAINS', [Spaces] ; STARTS = 'STARTS', [Spaces] ; ENDS = 'ENDS', [Spaces] ; WITH = 'WITH', [Spaces] ; LENGTH = 'LENGTH', [Spaces] ; HAS = 'HAS', [Spaces] ; ALL = 'ALL', [Spaces] ; ONLY = 'ONLY', [Spaces] ; ANY = 'ANY', [Spaces] ; (* Comparison operator tokens: *) Operator = ( EqualityOperator | RelativeComparisonOperator ) ; EqualityOperator = [ '!' ], '=' , [Spaces] ; RelativeComparisonOperator = ( '<' | '>' ), [ '=' ], [Spaces] ; (* Boolean values *) TRUE = 'TRUE', [Spaces] ; FALSE = 'FALSE', [Spaces] ; (* Property syntax *) Identifier = LowercaseLetter, { LowercaseLetter | Digit }, [Spaces] ; Letter = UppercaseLetter | LowercaseLetter ; UppercaseLetter = 'A' | 'B' | 'C' | 'D' | 'E' | 'F' | 'G' | 'H' | 'I' | 'J' | 'K' | 'L' | 'M' | 'N' | 'O' | 'P' | 'Q' | 'R' | 'S' | 'T' | 'U' | 'V' | 'W' | 'X' | 'Y' | 'Z' ; LowercaseLetter = 'a' | 'b' | 'c' | 'd' | 'e' | 'f' | 'g' | 'h' | 'i' | 'j' | 'k' | 'l' | 'm' | 'n' | 'o' | 'p' | 'q' | 'r' | 's' | 't' | 'u' | 'v' | 'w' | 'x' | 'y' | 'z' | '_' ; (* Strings: *) String = '"', { EscapedChar }, '"', [Spaces] ; EscapedChar = UnescapedChar | '\', '"' | '\', '\' ; UnescapedChar = Letter | Digit | Space | Punctuator | UnicodeHighChar ; Punctuator = '!' | '#' | '$' | '%' | '&' | "'" | '(' | ')' | '*' | '+' | ',' | '-' | '.' | '/' | ':' | ';' | '<' | '=' | '>' | '?' | '@' | '[' | ']' | '^' | '`' | '{' | '|' | '}' | '~' ; (* BEGIN EBNF GRAMMAR Number *) (* Number token syntax: *) Number = [ Sign ] , ( Digits, [ '.', [ Digits ] ] | '.' , Digits ), [ Exponent ], [Spaces] ; Exponent = ( 'e' | 'E' ) , [ Sign ] , Digits ; Sign = '+' | '-' ; Digits = Digit, { Digit } ; Digit = '0' | '1' | '2' | '3' | '4' | '5' | '6' | '7' | '8' | '9' ; (* White-space: *) (* Special character tokens: *) tab = ? \t ?; nl = ? \n ?; cr = ? \r ?; vt = ? \v ?; ff = ? \f ?; Space = ' ' | tab | nl | cr | vt | ff ; Spaces = Space, { Space } ; (* The 'UnicodeHighChar' specifies any Unicode character above 0x7F. It is specified in this grammar by an extension to EBNF that allows a regular expression to specify terminal symbol ranges. *) UnicodeHighChar = ? [^\x00-\x7F] ? ; (* END EBNF GRAMMAR Number *) (* END EBNF GRAMMAR Filter *) Note: when implementing a parser according this grammar, the implementers MAY choose to construct a lexer that ignores all whitespace (spaces, tabs, newlines, vertical tabulation and form feed characters, as described in the grammar 'Space' definition), and use such a lexer to recognize language elements that are described in the ``(* TOKENS *)`` section of the grammar. In that case, it can be beneficial to remove the '[Spaces]' element from the ``Filter = [Spaces], Expression`` definition as well and use the remaining grammar rules as a parser generator input (e.g., for yacc, bison, antlr). Regular Expressions for OPTIMADE Filter Tokens ---------------------------------------------- The string below contains Perl-Compatible Regular Expressions to recognize identifiers, number, and string values as specified in this specification. .. code:: #BEGIN PCRE identifiers [a-z_][a-z_0-9]* #END PCRE identifiers #BEGIN PCRE numbers [-+]?(?:\d+(\.\d*)?|\.\d+)(?:[eE][-+]?\d+)? #END PCRE numbers #BEGIN PCRE strings "([^\\"]|\\.)*" #END PCRE strings The strings below contain Extended Regular Expressions (EREs) to recognize identifiers, number, and string values as specified in this specification. .. code:: #BEGIN ERE identifiers [a-z_][a-z_0-9]* #END ERE identifiers #BEGIN ERE numbers [-+]?([0-9]+(\.[0-9]*)?|\.[0-9]+)([eE][-+]?[0-9]+)? #END ERE numbers #BEGIN ERE strings "([^\"]|\\.)*" #END ERE strings The Symmetry Operation String Regular Expressions ------------------------------------------------- Symmetry operation strings that comprise the :property:`space_group_symmetry_operations_xyz` property MUST conform to the following regular expressions. The regular expressions are recorded below in two forms, one in a more readable form using variables and the other as an explicit pattern compatible with the `OPTIMADE Regular Expression Format`_. - Perl Compatible Regular Expression (PCRE) syntax, with `Perl extensions `__ used for readability and expressivity. The :val:`symop_definitions` section defines several variables in Perl syntax that capture common parts of the regular expressions (REs) and need to be interpolated into the final REs used for matching. The :val:`symops` section contains the REs themselves. The whitespace characters in these definitions are not significant; if used in Perl programs, these expressions MUST be processed with the :code:`/x` RE modifier. A working example of these REs in action can be found in the :code:`tests/cases/pcre_symops_001.sh` and other test cases. .. code:: PCRE #BEGIN PCRE symop_definitions $translations = '1\/2|[12]\/3|[1-3]\/4|[1-5]\/6'; $symop_translation_appended = "[-+]? [xyz] ([-+][xyz])? ([-+] ($translations) )?"; $symop_translation_prepended = "[-+]? ($translations) ([-+] [xyz] ([-+][xyz])? )?"; $symop_re = "($symop_translation_appended|$symop_translation_prepended)"; #END PCRE symop_definitions .. code:: PCRE #BEGIN PCRE symops ^ # From the beginning of the string... ($symop_re)(,$symop_re){2} $ # ... match to the very end of the string #END PCRE symops - The regular expression is also provided in an expanded form as an OPTIMADE regex: .. code:: ECMA #BEGIN ECMA symops ^([-+]?[xyz]([-+][xyz])?([-+](1/2|[12]/3|[1-3]/4|[1-5]/6))?|[-+]?(1/2|[12]/3|[1-3]/4|[1-5]/6)([-+][xyz]([-+][xyz])?)?),([-+]?[xyz]([-+][xyz])?([-+](1/2|[12]/3|[1-3]/4|[1-5]/6))?|[-+]?(1/2|[12]/3|[1-3]/4|[1-5]/6)([-+][xyz]([-+][xyz])?)?),([-+]?[xyz]([-+][xyz])?([-+](1/2|[12]/3|[1-3]/4|[1-5]/6))?|[-+]?(1/2|[12]/3|[1-3]/4|[1-5]/6)([-+][xyz]([-+][xyz])?)?)$ #END ECMA symops OPTIMADE JSON Lines partial data format --------------------------------------- The OPTIMADE JSON Lines partial data format is a lightweight format for transmitting property data that are too large to fit in a single OPTIMADE response. The format is based on `JSON Lines `__, which enables streaming of JSON data. Note: since the below definition references both JSON fields and OPTIMADE properties, the data type names depend on context: for JSON they are, e.g., "array" and "object" and for OPTIMADE properties they are, e.g., "list" and "dictionary". .. _slice object: To aid the definition of the format below, we first define a "slice object" to be a JSON object describing slices of lists. The dictionary has the following OPTIONAL fields: - :field:`"start"`: Integer. The slice starts at the value with the given index (inclusive, meaning the item at the start index is included). It MUST be a non-negative integer. The default is 0, i.e., the value at the start of the list. - :field:`"stop"`: Integer. The slice ends at the value with the given index (inclusive, meaning the item at the stop index is included). It MUST be a non-negative integer. If omitted, the end of the slice is the last index of the list. Note: The fact the stop index is inclusive differs from common slicing conventions in many programming languages, where the stop index is typically exclusive. Care should be taken to avoid off-by-one errors. - :field:`"step"`: Integer. The absolute difference in index between two subsequent values that are included in the slice. It MUST be a non-zero positive integer. The default is 1, i.e., every value in the range indicated by :field:`start` and :field:`stop` is included in the slice. Hence, a value of 2 denotes a slice of every second value in the list. For example, for the list :val:`["a", "b", "c", "d", "e", "f", "g", "h", "i", "j"]` the slice object :val:`{"start": 1, "stop": 7, "step": 3}` refers to the items :val:`["b", "e", "h"]`. Furthermore, we also define the following special markers: - The *end-of-data-marker* is this exact JSON: :val:`["PARTIAL-DATA-END", [""]]`. - A *reference-marker* is this exact JSON: :val:`["PARTIAL-DATA-REF", [""]]`, where :val:`""` is to be replaced with a URL being referenced. A reference-marker MUST only occur in a place where the property being communicated could have an embedded list. - A *next-marker* is this exact JSON: :val:`["PARTIAL-DATA-NEXT", [""]]`, where :val:`""` is to be replaced with the target URL for the next link. There is no requirement on the syntax or format of the URLs provided in these markers. When data is fetched from these URLs the response MUST use the JSON Lines partial data format, i.e., the markers cannot be used to link to partial data provided in other formats. The markers have been deliberately designed to be valid JSON objects but *not* valid OPTIMADE property values. Since the OPTIMADE list data type is defined as a list of values of the same data type or :val:`null`, the above markers cannot be encountered inside the actual data of an OPTIMADE property. **Implementation note:** the recognizable string values for the markers should make it possible to prescreen the raw text of the JSON data lines for the reference-marker string to determine which are the lines that one can exclude from further processing to resolve references (alternatively, this screening can be done by the string parser used by the JSON parser). The underlying design idea is that for lines that have reference-markers, the time it takes to process the data structure to locate the markers should be negligible compared to the time it takes to resolve and handle the large data they reference. Hence, the most relevant optimization is to avoid spending time processing data structures to find markers for lines where there are none. The full response MUST be valid `JSON Lines `__ that adheres to the following format: - The first line is a header object (defined below). - The following lines are data lines adhering to the formats described below. - The final line is either an end-of-data-marker (indicating that there is no more data to be given), or a next-marker indicating that more data is available, which can be obtained by retrieving data from the provided URL. The first line MUST be a JSON object providing header information. The header object MUST contain the keys: - :field:`"optimade-partial-data"`: Object. An object identifying the response as being on OPTIMADE partial data format. It MUST contain the following key: - :field:`"format"`: String. Specifies the minor version of the partial data format used. The string MUST be of the format "MAJOR.MINOR", referring to the version of the OPTIMADE standard that describes the format. The version number string MUST NOT be prefixed by, e.g., "v". In implementations of the present version of the standard, the value MUST be exactly :val:`1.2`. A client MUST NOT expect to be able to parse the :field:`format` value if the field is not a string of the format MAJOR.MINOR or if the MAJOR version number is unrecognized. - :field:`"layout"`: String. A string either equal to :val:`"dense"` or :val:`"sparse"` to indicate whether the returned format uses a dense or sparse layout. The following key is RECOMMENDED in the header object: - :field:`"returned_ranges"`: Array of Object. For dense layout, and sparse layout of one dimensional list properties, the :field:`"returned_ranges"` array contains a single element which is a `slice object`_ representing the range of data present in the response. In the specific case of a hierarchy of list properties represented as a sparse multidimensional list, if the field :field:`"returned_ranges"` is given, it MUST contain one slice object per dimension of the multidimensional list, representing slices for each dimension that cover the data given in the response. The header object MAY also contain the keys: - :field:`"property_name"`: String. The name of the property being provided. - :field:`"entry"`: Object. An object that MUST have the following two keys: - :field:`"id"`: String. The id of the entry of the property being provided. - :field:`"type"`: String. The type of the entry of the property being provided. - :field:`"has_references"`: Boolean. An optional boolean to indicate whether any of the data lines in the response contains a reference marker. A value of :val:`false` means that the client does not have to process any of the lines to detect reference markers, which may speed up the parsing. - :field:`"item_schema"`: Object. An object that represents a JSON Schema that validates the data lines of the response. The format SHOULD be the relevant partial extract of a valid property definition as described in `Property Definitions`_. If a schema is provided, it MUST be a valid JSON schema using the same version of JSON schema as described in that section. - :field:`"links"`: Object. An object to provide relevant links for the property being provided. It MAY contain the following key: - :field:`"base_url"`: String. The base URL of the implementation serving the database to which this property belongs. - :field:`"item_describedby"`: String. A URL to an external JSON Schema that validates the data lines of the response. The format and requirements on this schema are the same as for the inline schema field :field:`item_schema`. The format of data lines of the response (i.e., all lines except the first and the last) depends on whether the header object specifies the layout as :val:`"dense"` or :val:`"sparse"`. - **Dense layout:** In the dense partial data layout, each data line reproduces one item from the OPTIMADE list property being transmitted in the JSON format. If OPTIMADE list properties are embedded inside the item, they can either be included in full or replaced with a reference-marker. If a list is replaced by a reference marker, the client MAY use the provided URL to obtain the list items. If the field :field:`"returned_ranges"` is omitted, then the client MUST assume that the data is a continuous range of data from the start of the list up to the number of elements given until reaching the end-of-data-marker or next-marker. - **Sparse layout for one-dimensional list:** When the response sparsely communicates items for a one-dimensional OPTIMADE list property, each data line contains a JSON array of the format: - The first item of the array is the zero-based index of the list property item being provided by this line. - The second item of the array is the value of the list property item located at the indicated index, represented using the same format as each line in the dense layout. In the same way as for the dense layout, reference-markers are allowed inside the item data for embedded lists that do not fit in the response (see example below). - **Sparse layout for multidimensional lists:** the server MAY use a specific sparse layout for the case that the OPTIMADE property represents a series of directly hierarchically embedded lists (i.e., a multidimensional sparse list). In this case, each data line contains a JSON array of the format: - All array items except the last one are zero-based integer indices of the list property item being provided by this line; these indices refer to the aggregated dimensions in the order of outermost to innermost. - The last item of the array is the value of the list property item located at the indicated coordinates, represented using the same format as each line in the dense layout. In the same way as for the dense layout, reference-markers are allowed inside the item data for embedded lists that do not fit in the response (see example below). If the final line of the response is a next-marker, the client MAY continue fetching the data for the property by retrieving another partial data response from the provided URL. If the final line is an end-of-data-marker, any data not covered by any of the responses are to be assigned the value :val:`null`. If :field:`"returned_ranges"` is included in the response and the client encounters a next-marker before receiving all lines indicated by the slice, it should proceed by not assigning any values to the corresponding items, i.e., this is not an error. Since the remaining values are not assigned a value, they will be :val:`null` if they are not assigned values by another response retrieved via a next link encountered before the final end-of-data-marker. (Since there is no requirement that values are assigned in a specific order between responses, it is possible that the omitted values are already assigned. In that case the values shall remain as assigned, i.e., they are not overwritten by :val:`null` in this situation.) Examples ~~~~~~~~ Below follows an example of a dense response for a partial list data of integer values. The request returns a slice of data starting from index 10 up to and including index 20, with a step of 2. This response provides the first three values of that slice (corresponding to indices 10, 12, and 14) and includes a next-marker link to fetch subsequent data: .. code:: jsonl {"optimade-partial-data": {"format": "1.2.0"}, "layout": "dense", "returned_ranges": [{"start": 10, "stop": 20, "step": 2}]} 123 345 -12.6 ["PARTIAL-DATA-NEXT", ["https://example.db.org/value4"]] Below follows an example of a dense response for a list property as a partial list of multidimensional list values. The item with index 10 in the original list is provided explicitly in the response and is the first one provided in the response since start=10. The item with index 12 in the list, the second data item provided since start=10 and step=2, is not included only referenced. The third provided item (index 14 in the original list) is only partially returned: it is a list of three items, the first and last are explicitly provided, the second one is only referenced. .. code:: jsonl {"optimade-partial-data": {"format": "1.2.0"}, "layout": "dense", "returned_ranges": [{"start": 10, "stop": 20, "step": 2}]} [[10,20,21], [30,40,50]] ["PARTIAL-DATA-REF", ["https://example.db.org/value2"]] [[11, 110], ["PARTIAL-DATA-REF", ["https://example.db.org/value3"]], [550, 333]] ["PARTIAL-DATA-NEXT", ["https://example.db.org/value4"]] Below follows an example of the sparse layout for multidimensional lists with three aggregated dimensions. The underlying property value can be taken to be sparse data in lists in four dimensions of 10000 x 10000 x 10000 x N, where the innermost list is a non-sparse list of arbitrary length of numbers. The only non-null items in the outer three dimensions are, say, [3,5,19], [30,15,9], and [42,54,17]. The response below communicates the first item explicitly; the second one by deferring the innermost list using a reference-marker; and the third item is not included in this response, but deferred to another page via a next-marker. .. code:: jsonl {"optimade-partial-data": {"format": "1.2.0"}, "layout": "sparse"} [3,5,19, [10,20,21,30]] [30,15,9, ["PARTIAL-DATA-REF", ["https://example.db.org/value1"]]] ["PARTIAL-DATA-NEXT", ["https://example.db.org/"]] An example of the sparse layout for multidimensional lists with three aggregated dimensions and integer values: .. code:: jsonl {"optimade-partial-data": {"format": "1.2.0"}, "layout": "sparse"} [3,5,19, 10] [30,15,9, 31] ["PARTIAL-DATA-NEXT", ["https://example.db.org/"]] An example of the sparse layout for multidimensional lists with three aggregated dimensions and values that are multidimensional lists of integers of arbitrary lengths: .. code:: jsonl {"optimade-partial-data": {"format": "1.2.0"}, "layout": "sparse"} [3,5,19, [ [10,20,21], [30,40,50] ] ] [3,7,19, ["PARTIAL-DATA-REF", ["https://example.db.org/value2"]]] [4,5,19, [ [11, 110], ["PARTIAL-DATA-REF", ["https://example.db.org/value3"]], [550, 333]]] ["PARTIAL-DATA-END", [""]] Property Definition Example --------------------------- This appendix provides a more complete example of a Property Definition in the format defined in `Property Definitions`_. (Note: the description strings have been wrapped for readability only.) .. code:: jsonc { "title": "Forces and atomic masses list", "$id": "https://properties.example.com/v1.2.0/forces_and_masses", "x-optimade-type": "list", "x-optimade-property": { "version": "1.2.0", "property-format": "1.2", "units": [ { "title": "Newton", "symbol": "N", "$id": "https://units.example.com/v1.2.0/N", "description": "The newton SI unit of force, defined as 1 kg m/s^2 using the 2019 redefinition of the SI base units.", "standard": { "name": "gnu units", "version": "3.15", "symbol": "newton" }, "defining-relation": { "base-units": [ { "symbol": "kg", "id": "https://units.example.com/v1.2.0/kg" }, { "symbol": "m", "id": "https://units.example.com/v1.2.0/m" }, { "symbol": "s", "id": "https://units.example.com/v1.2.0/s" } ], "base-units-expression": "kg*m*s^-2" } }, { "title": "Dalton mass unit", "symbol": "u", "$id": "https://units.example.com/v1.2.0/u", "description": "The dalton mass unit defined as 1/12 of the mass of an unbound neutral atom of carbon-12 in its nuclear and electronic ground state and at rest. Approximately equal to $1.66053906660(50)*10^{-27}$ kg", "standard": { "name": "gnu units", "version": "3.15", "symbol": "atomicmassunit" } } ] }, "type": ["array", "null"], "description": "A list of forces and atomic masses", "examples": [ [{"force": 42.0, "mass": 28.0855}, {"force": 44.2, "mass": 15.9994}], [{"force": 12.0, "mass": 24.3050}] ], "x-optimade-unit": "inapplicable", "x-optimade-requirements": { "support": "should", "sortable": false, "query-support": "none" }, "items": { "title": "Force and atomic mass pair", "x-optimade-type": "dictionary", "description": "A dictionary containing a force and mass value", "x-optimade-unit": "inapplicable", "type": ["object"], "properties": { "force": { "title": "Force", "description": "A force value", "x-optimade-type": "float", "x-optimade-unit": "N", "type": ["number"], "examples": [42.0] }, "mass": { "title": "Mass", "description": "An atomic mass", "x-optimade-type": "float", "x-optimade-unit": "u", "type": ["number"], "examples": [15.9994] } } } } OPTIMADE Regular Expression Format ---------------------------------- This section defines a Unicode string representation of regular expressions (regexes) to be referenced from other parts of the specification. The format will be referred to as an "OPTIMADE regex". Regexes are commonly embedded in a context where they need to be enclosed by delimiters (e.g., double quotes or slash characters). If this is the case, some outer-level escape rules likely apply to allow the end delimiter to appear within the regex. Such delimiters and escape rules are *not* included in the definition of the OPTIMADE regex format itself and need to be clarified when this format is referenced. The format defined in this section applies after such outer escape rules have been applied (e.g., when all occurrences of ``\/`` have been translated into ``/`` for a format where an unescaped slash character is the end delimiter). Likewise, if an OPTIMADE regex is embedded in a serialized data format (e.g., JSON), this section documents the format of the Unicode string resulting from the deserialization of that format. An OPTIMADE regex is a regular expression that adheres to `ECMA-262, section 21.2.1 `__ with additional restrictions described below which define a subset of the ECMA-262 format chosen to match features commonly available in different database backends. The regex is interpreted according to the ECMA-262 processing rules that apply for an expression where only the Unicode variable is set to true of all variables set by the RegExp internal slot described by `ECMA-262, section 21.2.2.1 `__. The subset includes only the following tokens and features: - Individual Unicode characters matching themselves, as defined by the JSON specification (:RFC:`8259`). - The ``.`` character to match any one Unicode character except the line break characters LINE FEED (LF) (U+000A), CARRIAGE RETURN (U+000D), LINE SEPARATOR (U+2028), PARAGRAPH SEPARATOR (U+2029) (see `ECMA-262 section 2.2.2.7 `__). - A literal escape of `one of the characters defined as syntax characters in the ECMA-262 standard `__, i.e., the escape character (``\``) followed by one of the following characters ``^ $ \ . * + ? ( ) [ ] { } |`` to represent that literal character. No other characters can be escaped. (This rule prevents other escapes that are interpreted differently depending on regex flavor.) - Simple character classes (e.g., ``[abc]``), complemented character classes (e.g. ``[^abc]``), and their ranged versions (e.g., ``[a-z]``, ``[^a-z]``) with the following constraints: * The character ``-`` designates ranges, unless it is the first or last character of the class in which case it represents a literal ``-`` character. * If the first character is ``^`` then the expression matches all characters *except* the ones specified by the class as defined by the characters that follows. * The characters ``\ [ ]`` can only appear escaped with a preceding backslash, e.g. ``\\`` designates that the class includes a literal ``\`` character. The other syntax characters may appear either escaped or unescaped to designate that the class includes them. (This rule prevents other escapes inside classes that are not the same across regex flavors and expressions that, in some flavors, are interpreted as nested classes.) * Except as specified above, all characters represent themselves literally (including syntax characters). * Characters that represent themselves literally can only appear at most once. (This rule prevents various kinds of extended character class syntax that differs between regex formats that assigns special meaning to duplicated characters such as POSIX character classes, e.g., ``[:alpha:]``, equivalence classes, e.g., ``[=a=]``, set constructs, e.g. ``[A--B]``, ``[A&&B]``, etc.). - Simple quantifiers: ``+`` (one or more), ``*`` (zero or more), ``?`` (zero or one) that appear directly after a character, group, or character class. (This rule prevents expressions with special meaning in some regex flavors, e.g., ``+?`` and ``(?...)``.) - The beginning-of-input (``^``) and end-of-input (``$``) anchors. - Simple grouping (``(...)``) and alternation (``|``). Note that lazy quantifiers (``+?``, ``*?``, ``??``) are *not* included, nor are range quantifiers (``{x}``, ``{x,y}``, ``{x,}``). Furthermore, there is no support for escapes designating shorthand character classes as ``\`` and a letter or number, nor is there any way to represent a Unicode character by specifying a code point as a number, only via the Unicode character itself. (However, the regex can be embedded in a context that defines such escapes, e.g., in serialized JSON a string containing the character ``\u`` followed by four hexadecimal digits is deserialized into the corresponding Unicode character.) An OPTIMADE regex matches the string at any position unless it contains a leading beginning-of-input (``^``) or trailing end-of-input (``$``) anchor listed above, i.e., the anchors are not implicitly assumed. For example, the OPTIMADE regex "es" matches "expression". Regexes that utilize tokens and features beyond the designated subset are allowed to have an undefined behavior, i.e., they MAY match or not match *any* string or MAY produce an error. Implementations that do not produce errors in this situation are RECOMMENDED to generate warnings if possible. Compatibility notes: * The subset is intended to be compatible with, but even further restricted than, the subset recommended in the JSON Schema standard, see `JSON Schema: A Media Type for Describing JSON Documents 2020-12, section 6.4 `__. The compatibility with the JSON Schema standard is expressed here as "intended" since there is some room for interpretation of the precise features included in the recommendation given in that standard. * The definition tolerates (with undefined behavior) regexes that use tokens and features beyond the defined subset. Hence, a regex can be directly handed over to a backend implementation compatible with the subset without needing validation or translation. * Additional consideration of how the ``.`` character operates in relation to line breaks may be required for multiline text. If the regex is applied to strings containing only the LINE FEED (U+000A) character and none of the other Unicode line break characters, most regex backend implementations are compatible with the defined behavior. If the regex is applied to string data containing arbitrary combinations of Unicode line break characters and the right behavior cannot be achieved via environmental settings and regex options, implementations can consider a translation step where other line break characters are translated into LINE FEED in the text operated on. * Compatibility with different regex implementations may change depending on the environment, implementation programming language versions, and options and has to be verified by implementations. However, as a general guide, we have used third-party sources, e.g., the `Regular Expression Engine Comparison Chart `__ to collect the following information for compatibility when operating on text using LINE FEED as the line break character: * `ECMAScript (also known as javascript) `__ and version 1 and 2 of `PCRE `__ are meant to be compatible by design when used with appropriate options. * The following regex formats appear generally compatible when operating in Unicode mode: `Perl `__, `Python `__, `Ruby `__, `Rust `__, `Java `__, `.NET `__, `MySQL 8 `__, `MongoDB `__, `Oracle `__, `IBM Db2 `__, `Elasticsearch `__, `DuckDB `__ (which uses the `re2 `__ library). * SQLite supports regexes via libraries and thus can use a compatible format (e.g., PCRE2). * XML Schema appears to use a compatible regex format, except it is implicitly anchored: i.e., the beginning-of-input ``^`` and end-of-input ``$`` anchors must be removed, and missing anchors replaced by ``.*``. * POSIX Extended regexes (and their extended GNU implementations) are incompatible because ``\`` is not a special character in character classes. POSIX Basic regexes also have further differences, e.g., the meaning of some escaped syntax characters is reversed. The OPTIMADE JSON Lines Format for Database Exchange ---------------------------------------------------- There are many use cases for which it is beneficial to share all of the data served by an OPTIMADE API as a single file, for example, archival, transfer of entire databases and local-first clients. This appendix describes a lightweight standardization for doing this via the `JSON Lines `__ (JSONL) format, with some additional OPTIMADE-specific conventions. The `JSON Lines `__ format enforces the following rules: - each line is a valid JSON value, - each line is separated by a newline character (``\n``), optionally ending the file with a newline. - each file must be UTF-8 encoded, - the recommended file extension is ``.jsonl``, with natural extensions to ``.jsonl.gz`` and ``.jsonl.bz2`` for ``gzip`` and ``bzip2`` compressed files, respectively. The OPTIMADE JSON Lines format then extends these rules with the following conventions: - The first line of the file is a JSON object that contains metadata about the file. It MUST be a dictionary with the key ``x-optimade``, under which the following key MUST be defined: - ``api_version``: The OPTIMADE API version used when generating the file, as described in the ``meta`` member in `JSON Response Schema: Common Fields`_. - The next line MAY contain a standard OPTIMADE ``meta`` object, following the same rules described in `JSON Response Schema: Common Fields`_, where every MUST and SHOULD rule can be reinterpreted as a MAY rule. For example, ``meta.data_returned`` can be omitted, or otherwise used to provide the total number of entries in the file. - The next block of lines provides the ``info`` endpoint responses: - First the base info response MUST be provided, following the description at `Base Info Endpoint`_. - The next lines MUST contain the entry info endpoint responses for the all entry types present later in the file, as described in `Entry Listing Info Endpoints`_. - The remaining lines of the file contain data entries themselves, described in `Entry Listing JSON Response Schema`_. These entries can be provided in any order. - Finally, any custom extension endpoints (see `Custom Extension Endpoints`_), if present and desirable, MUST appear at the end of the file. This leaves the following overall file structure: .. code :: txt
This JSONL format can also be used to share provider-specific or namespace-specific properties, following the normal rules defined in `Namespace Prefixes`_. Such static property definitions should be consistent with any externally defined prefixes, that is, JSON Lines files should not use an existing prefix unless the desired definitions match exactly. Where appropriate, a provider prefix can be chosen to represent the tool used to generate the file, in cases where an external property definition is not provided (for example, a property that only applies to the current dataset). It is RECOMMENDED that custom properties are defined in full within the JSONL file, or pointed to a specific versioned property definition. Example file ~~~~~~~~~~~~ .. code :: jsonc {"x-optimade": {"api_version": "1.2.0"}} {"meta": {"time_stamp": "2024-07-19T11:47:10Z", "data_returned": 6, "provider": {"name": "Example JSONL", "description": "An example JSONL file.", "prefix": "_exmpl"}}} {"type": "info", "id": "/", "attributes": {"api_version": "1.2.0", "available_api_versions": ["1.2.0"], "formats": ["json"], "entry_types_by_format": {"json": ["references", "structures"]}, "license": "https://example.com/licenses/example_license.html"}, "homepage": "https://example.com", "name": "Example API", "provider": {"description": "A simple example provider", "name": "Example Provider"}}} {"type": "info", "id": "references", ...} {"type": "info", "id": "structures", ...} {"type": "references", "id": "2", "attributes": {...}} {"type": "structures", "id": "1", "attributes": {...}, "relationships": {"references": {"data": [{"id": "2", "type": "references"}]}}} OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/0000775000200400020040000000000015112031047023153 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/scripts/0000775000200400020040000000000015112031047024642 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/scripts/Filter0000755000200400020040000000020315112031047026006 0ustar andriusandrius#! /bin/bash GRAMMAR=$1 INPUT_FILE=$2 ./tests/tools/grammatiker/BNF/scripts/grammatica-tree \ ${GRAMMAR} \ ${INPUT_FILE} OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/scripts/validate_json_schema.py0000755000200400020040000000220515112031047031356 0ustar andriusandrius#!/usr/bin/env python3 """ This script validates a json file against a JSON Schema file using the jsonschema Python library. Usage: validate_json_schema.py jsonfile schemafile Examples: validate_json_schema.py file.json schema.json """ import argparse import json import jsonschema from jsonschema import validate arguments = [ { 'names': ['infile'], 'help': 'The JSON file to process.', 'type': str, }, { 'names': ['schema'], 'help': 'The JSON Schema file to process.', 'type': str, } ] if __name__ == "__main__": parser = argparse.ArgumentParser(description=__doc__, formatter_class=argparse.RawDescriptionHelpFormatter) for arg in arguments: names = arg.pop('names') parser.add_argument(*names, **arg) args = parser.parse_args() with open(args.infile, "r") as f: data=json.load(f) with open(args.schema, "r") as f: schema=json.load(f) validate(instance=data, schema=schema, format_checker=jsonschema.FormatChecker()) print("JSON file: "+str(args.infile)+" validated against JSON Schema: "+str(args.schema)+": OK") OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/scripts/filter_rsync_itemize_output.sh0000755000200400020040000000064315112031047033053 0ustar andriusandrius#!/usr/bin/env python3 # # Pipe the output of rsync -ni into this script to simplify the output # so that not all individual files in a new directory show up # individually (just as a new directory) import sys pat = None for line in sys.stdin: stat,sep,f = line.partition(" ") f = f.strip() if pat is not None and f.startswith(pat): continue if stat.startswith("cd"): pat = f sys.stdout.write(line) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/scripts/Number0000755000200400020040000000020315112031047026011 0ustar andriusandrius#! /bin/bash GRAMMAR=$1 INPUT_FILE=$2 ./tests/tools/grammatiker/BNF/scripts/grammatica-tree \ ${GRAMMAR} \ ${INPUT_FILE} OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/scripts/check_spelling.sh0000755000200400020040000000036715112031047030157 0ustar andriusandrius#!/bin/bash spellcheck=$(aspell list -M -p ./.words.lst -l en_US < optimade.rst) if [ -n "$spellcheck" ] ; then echo "$spellcheck" (>&2 echo "Spelling errors found, please run "make fix_spelling" to fix them interactively.") exit 1 fi OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/tools/0000775000200400020040000000000015112031047024313 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/tools/mkcomdepend0000755000200400020040000001325015112031047026526 0ustar andriusandrius#!/bin/sh #!perl -w # --*- Perl -*-- eval 'exec perl -x $0 ${1+"$@"}' if 0; #------------------------------------------------------------------------ #$Author: saulius $ #$Date: 2016-11-05 11:08:04 +0200 (Sat, 05 Nov 2016) $ #$Revision: 28 $ #$URL: svn+ssh://saulius-grazulis.lt/home/saulius/svn-repositories/mkdepend/mkcomdepend $ #------------------------------------------------------------------------------ #* # Create dependencies for .com files #** use strict; use warnings; use File::Basename; my @inputs = (); my @outputs = (); my @outdirs = (); my %vars = %ENV; sub expand_vars { my ( $line, $vars ) = @_; chomp $line; my ( $varname, $value ) = split( "=", $line, 2 ); $varname =~ s/^\s*set(var)?\s+//; # remove 'set ', if we are in csh $varname =~ s/^\s+|\s+$//g; # remove leading and trailing spaces from variable name $value =~ s/^\s+|\s+$//g; # remove leading and trailing spaces if( $value !~ /\'.+\'/ || $value =~ /^".+"$/ ) { $value =~ s/\$(\w+)/\$\{$1\}/g; # eclose var names in braces: $NAME -> ${NAME} # # expand simple variables: VAR=val; ${VAR} -> val # for my $oldvarname ( sort keys %{$vars} ) { $value =~ s/\$\{$oldvarname\}/$vars->{$oldvarname}/g; $value =~ s/\$$oldvarname/$vars->{$oldvarname}/g; } # # expand command substitutions: $(basename xxx.com .com) -> xxx # if( $value =~ /\$\((.+)\)/ ) { my $expansion = `$1`; chomp $expansion; $value =~ s/\$\(.+\)/$expansion/g; } # # expand "backtick substitutions": `basename xxx.com .com` -> xxx # if( $value =~ /\`(.+)\`/ ) { my $expansion = `$1`; chomp $expansion; $value =~ s/\`.+\`/$expansion/g; } } if( $value =~ /^'.+'$/ ) { $value =~ s/^\s*'|'\s*$//g; # remove single quotes at the end or at the beginning } else { $value =~ s/^\s*"|"\s*$//g; # remove double quotes at the end or at the beginning } $vars->{$varname} = $value; return wantarray ? ( $varname, $value ) : $value; } my $line = ""; my $basename; my $dirname; my $prefix; while( <> ) { if( !defined $basename ) { $basename = File::Basename::basename( $ARGV, ".com" ); $dirname = File::Basename::dirname( $ARGV ); $prefix = "${dirname}/${basename}"; $vars{"0"} = "$ARGV"; } if( /\\$/ ) { chomp; local $/ = "\\"; chomp; $line .= $_; next unless eof; } if( $line ) { $_ = $line . $_; $line = ""; } if( /^\s*((set|setvar)\s+)?INPUT[^=]*=(.+)$/ ) { my $depend = expand_vars( $_, \%vars ); push( @inputs, $depend ); next; } if( /^\s*((set|setvar)\s+)?OUTPUT[^=]*=(.+)$/ ) { my $depend = expand_vars( $_, \%vars ); push( @outputs, $depend ); next; } if( /^\s*((set|setvar)\s+)?OUTDIR[^=]*=(.+)$/ ) { my $depend = expand_vars( $_, \%vars ); push( @outdirs, $depend ); next; } if( /^\s*((set|setvar)\s+)?([a-zA-Z0-9_]+)\s*=(.+)$/ ) { expand_vars( $_, \%vars ); next; } if( /\s*#BEGIN\s+DEPEND/ ) { @inputs = (); @outputs = (); next; } if( /\s*#END\s+DEPEND/ || eof ) { if( !eof ) { close( ARGV ); } for( @inputs ) { print "${prefix}.log: $_\n"; } for( @outputs ) { print "$_: ${prefix}.log\n"; print "\t\@cd ${dirname}; test -f $_ || ". "sh -xc './${basename}.com > ${basename}.log 2>&1'\n"; print "\t\@cd ${dirname}; test -f $_ && touch $_\n"; } for( @outdirs ) { print "$_: ${prefix}.log\n"; print "\t\@cd ${dirname}; test -d $_ || ". "sh -xc './${basename}.com > ${basename}.log 2>&1'\n"; print "\t\@cd ${dirname}; test -d $_ && touch $_\n"; } if( @outputs || @outdirs ) { my $clean_subtargets = ""; if( @outputs ) { $clean_subtargets .= " cleanfile${basename}"; print "CLEAN_FILES += "; my $space = ""; for( @outputs ) { print "${space}$_"; $space = " "; } print "\n"; print "CLEAN_FILE_TARGETS += cleanfile${basename}\n"; print "cleanfile${basename}:\n"; for( @outputs ) { print "\trm -f $_\n"; } } if( @outdirs ) { $clean_subtargets .= " cleandir${basename}"; print "CLEAN_DIRS += "; my $space = ""; for( @outdirs ) { print "${space}$_"; $space = " "; } print "\n"; print "CLEAN_DIR_TARGETS += cleandir${basename}\n"; print "cleandir${basename}:\n"; for( @outdirs ) { print "\t" . "find '$_' -name .svn -prune -o " . "-type f -print0 | xargs -0 rm -fv\n"; } } print "CLEAN_TARGETS +=clean${basename}\n"; print "clean${basename}:${clean_subtargets}\n"; print "\trm -f ${prefix}.log\n"; } else { print "CLEAN_TARGETS +=clean${basename}\n"; print "clean${basename}:\n"; print "\trm -f ${prefix}.log\n"; } %vars = %ENV; @inputs = (); @outputs = (); } if( eof ) { $basename = $dirname = $prefix = undef; } } OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/tools/grammatica-build.patch0000644000200400020040000000036415112031047030537 0ustar andriusandrius73,74c73,74 < source="1.4" < target="1.5" --- > source="1.8" > target="1.8" 116,117c116,117 < source="1.4" < target="1.5" --- > source="1.8" > target="1.8" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/tools/Dockerfile0000644000200400020040000000076615112031047026314 0ustar andriusandriusFROM ubuntu:xenial RUN apt-get update \ && apt-get install -y -q --no-install-recommends \ locales \ ant \ ant-optional \ unzip \ wget \ make \ default-jdk \ subversion \ curl \ jq \ && apt-get clean \ && rm -rf /var/lib/apt/lists/* \ && localedef -i en_US -c -f UTF-8 -A /usr/share/locale/locale.alias en_US.UTF-8 ENV LANG en_US.utf8 WORKDIR /root/optimade COPY . . CMD ["/bin/bash", "-c", "make distclean; make audit"] OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/0000775000200400020040000000000015112031047024251 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_060.inp0000644000200400020040000000010215112031047026562 0ustar andriusandriusprototype_formula STARTS "B2" AND prototype_formula ENDS WITH "D2"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/pcre_numbers_004.sh0000755000200400020040000000055315112031047027660 0ustar andriusandrius#! /bin/sh # Test case: test if a provided PCRE correctly recognises integer and # real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/numbers.pcre #END DEPEND #grep -P "^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$" tests/inputs/not-numbers.lst perl -ne "print if /^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$/" tests/inputs/not-numbers.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_003.inp0000644000200400020040000000002215112031047026560 0ustar andriusandriusNOT (a>b) AND x>0 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_010.opt0000644000200400020040000000003115112031047026572 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_055.inp0000644000200400020040000000040315112031047026572 0ustar andriusandriuselements:_exmpl_element_counts HAS "H":6 AND elements:_exmpl_element_counts HAS ALL "H":6,"He":7 AND elements:_exmpl_element_counts HAS ONLY "H":6 AND elements:_exmpl_element_counts HAS ANY "H":6,"He":7 AND elements:_exmpl_element_counts HAS ONLY "H":6,"He":7OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_037.inp0000644000200400020040000000005415112031047026574 0ustar andriusandriuselements:element_counts HAS IS 'H':6,'He':7 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_037.opt0000644000200400020040000000003115112031047026603 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_030.opt0000644000200400020040000000003115112031047026574 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_047.opt0000644000200400020040000000003115112031047026604 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_032.inp0000644000200400020040000000002315112031047026563 0ustar andriusandriuselements HAS IS "H"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_027.inp0000644000200400020040000000002615112031047026572 0ustar andriusandriuselements LENGTH = "42"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/ere_identifiers_002.sh0000755000200400020040000000042715112031047030332 0ustar andriusandrius#! /bin/sh # Test case: test if a provided PCRE correctly recognises integer and # real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/identifiers.ere #END DEPEND grep -v -E "^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$" tests/inputs/not-identifiers.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_056.inp0000644000200400020040000000012215112031047026571 0ustar andriusandrius_exmpl_element_counts HAS < 3 AND _exmpl_element_counts HAS ANY > 3, = 6, 4, != 8 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/pcre_numbers_001.sh0000755000200400020040000000041115112031047027646 0ustar andriusandrius#! /bin/sh # Test case: test if a provided PCRE correctly recognises integer and # real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/numbers.pcre #END DEPEND grep -P "^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$" tests/inputs/numbers.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/symops_pcre_to_ecma_001.sh0000755000200400020040000000243315112031047031222 0ustar andriusandrius#! /bin/sh # Test case: tests the equivalence of the provided PCRE and ECMA regular # expressions used in the validation of space group symmetry operations. # The equivalence is tested by translating the expression from PCRE to the # subset of the ECMA 262 dialect supported by OPTIMADE. set -ue #BEGIN DEPEND INPUT_PCRE_DEFS=tests/generated/symop_definitions.pcre INPUT_PCRE_GRAMMAR=tests/generated/symops.pcre INPUT_ECMA_GRAMMAR=tests/generated/symops.ecma #END DEPEND PCRE_REGEX=$( \ grep -v -e '^ *#' -e '^\s+$' ${INPUT_PCRE_GRAMMAR} | \ perl -ne 's/\s+//g; s/#.*//; s/[\$]$/\\\$/; print;' | \ perl -ne 's/^[\^][(](.+)[)][(](.+)[)]\{2\}\\[\$]$/^$1$2$2$3\\\$/; print;' \ ) EXPANDED_PCRE_REGEX=$( \ perl -I. -w \ -e "require '${INPUT_PCRE_DEFS}';" \ -e "my \$extended_regex = \"${PCRE_REGEX}\";" \ -e '$extended_regex =~ s/[\s\\]+//g;' \ -e 'print $extended_regex;' \ ) ECMA_REGEX=$( \ grep -v -e '^ *#' -e '^\s+$' ${INPUT_ECMA_GRAMMAR} | \ perl -n -e 's/\s+//g; print;' \ ) if [ "${EXPANDED_PCRE_REGEX}" = "${ECMA_REGEX}" ] then printf '%s\n' 'PASS: expanded regular expressions match.' else printf '%s\n' 'FAIL: expanded regular expressions do not match.' echo "PCRE: ${EXPANDED_PCRE_REGEX}" echo "ECMA: ${ECMA_REGEX}" fi OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_081.inp0000644000200400020040000000003215112031047026567 0ustar andriusandriustitle HAS ENDS WITH "MOF" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_045.opt0000644000200400020040000000003115112031047026602 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_072.opt0000644000200400020040000000003115112031047026602 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_001.opt0000644000200400020040000000003115112031047026572 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_064.opt0000644000200400020040000000003115112031047026603 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_072.inp0000644000200400020040000000004615112031047026574 0ustar andriusandriusproperty STARTS WITH another_property OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_077.inp0000644000200400020040000000001015112031047026570 0ustar andriusandriusa AND b OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/ebnf_numbers_004.sh0000755000200400020040000000150715112031047027641 0ustar andriusandrius#! /bin/bash # Test case: test if a provided EBNF grammar correctly recognises # integer and real (floating-point) numbers. BASENAME="$(basename $0)" #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/Number.ebnf #END DEPEND test -z "${TMP_DIR}" && TMP_DIR="." TMP_DIR="${TMP_DIR}/tmp-${BASENAME}-$$" mkdir "${TMP_DIR}" # To make the trap portable between bash and dash, we need to trap # "signal" 0 ("EXIT") and rely on it for the cleanup: ## trap "rm -rf '${TMP_DIR}'" 0 1 2 3 15 trap "rm -rf '${TMP_DIR}'" EXIT trap "exit 1" HUP INT QUIT TERM TMP_GRAMMAR="${TMP_DIR}/numbers.g" tests/tools/grammatiker/EBNF/scripts/ebnf2grammatica ${INPUT_GRAMMAR} \ > ${TMP_GRAMMAR} while read LINE do tests/tools/grammatiker/BNF/scripts/grammatica-tree \ ${TMP_GRAMMAR} \ <(echo -n ${LINE}) done < tests/inputs/integers.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_011.opt0000644000200400020040000000003115112031047026573 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_013.inp0000644000200400020040000000002015112031047026557 0ustar andriusandriusNOT a>b AND x>0 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_066.inp0000644000200400020040000000004715112031047026600 0ustar andriusandrius((NOT(_exmpl_a>_exmpl_b))AND_exmpl_x>0)OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_059.inp0000644000200400020040000000010615112031047026576 0ustar andriusandriusprototype_formula CONTAINS "C2" AND prototype_formula STARTS WITH "A2"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_023.inp0000644000200400020040000000003515112031047026566 0ustar andriusandriuschemical formula IS KNOWN 42 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_016.opt0000644000200400020040000000003115112031047026600 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_079.opt0000644000200400020040000000003115112031047026611 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_031.inp0000644000200400020040000000022515112031047026566 0ustar andriusandriuselements LENGTH = 42 AND elements LENGTH > 42 AND elements LENGTH < 42 AND elements LENGTH != 42 AND elements LENGTH >= 42 AND elements LENGTH <= 42 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_069.inp0000644000200400020040000000004015112031047026574 0ustar andriusandrius NOTa > ___beta___ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_082.opt0000644000200400020040000000003115112031047026603 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_074.inp0000644000200400020040000000001515112031047026572 0ustar andriusandriustrue > FALSE OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_065.inp0000644000200400020040000000012515112031047026574 0ustar andriusandriuschemical_formulaCONTAINS"Al"ANDchemical_formulaSTARTS"Al"ANDchemical_formulaENDS"Al" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/pcre_identifiers_001.sh0000755000200400020040000000042115112031047030501 0ustar andriusandrius#! /bin/sh # Test case: test if a provided PCRE correctly recognises integer and # real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/identifiers.pcre #END DEPEND grep -P "^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$" tests/inputs/identifiers.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_079.inp0000644000200400020040000000003015112031047026574 0ustar andriusandriusboolean_valued_property OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_053.opt0000644000200400020040000000003115112031047026601 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_036.inp0000644000200400020040000000005315112031047026572 0ustar andriusandriuselements:elements:element_counts HAS "H":6 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_012.inp0000644000200400020040000000004015112031047026560 0ustar andriusandriusa>1 AND (b<10 OR c!=b OR x>100) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_078.opt0000644000200400020040000000003115112031047026610 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_028.inp0000644000200400020040000000002215112031047026567 0ustar andriusandriuselements LENGTH 42OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_003.opt0000644000200400020040000000003115112031047026574 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_039.opt0000644000200400020040000000003115112031047026605 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_004.opt0000644000200400020040000000003115112031047026575 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_042.inp0000644000200400020040000000024615112031047026573 0ustar andriusandriuschemical_formula = "He" AND chemical_formula > "He" AND chemical_formula < "He" AND chemical_formula <= "He" AND chemical_formula >= "He" AND chemical_formula != "He"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_002.opt0000644000200400020040000000003115112031047026573 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_015.inp0000644000200400020040000000006615112031047026573 0ustar andriusandriuschemical_formula = "Al" AND OR prototype_formula = "A"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_058.opt0000644000200400020040000000003115112031047026606 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_061.opt0000644000200400020040000000003115112031047026600 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_027.opt0000644000200400020040000000003115112031047026602 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_062.inp0000644000200400020040000000001415112031047026566 0ustar andriusandrius5 < _exmpl_aOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_070.opt0000644000200400020040000000003115112031047026600 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_062.opt0000644000200400020040000000003115112031047026601 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/ebnf_numbers_003.sh0000755000200400020040000000150615112031047027637 0ustar andriusandrius#! /bin/bash # Test case: test if a provided EBNF grammar correctly recognises # integer and real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/Number.ebnf #END DEPEND BASENAME="$(basename $0)" test -z "${TMP_DIR}" && TMP_DIR="." TMP_DIR="${TMP_DIR}/tmp-${BASENAME}-$$" mkdir "${TMP_DIR}" # To make the trap portable between bash and dash, we need to trap # "signal" 0 ("EXIT") and rely on it for the cleanup: ## trap "rm -rf '${TMP_DIR}'" 0 1 2 3 15 trap "rm -rf '${TMP_DIR}'" EXIT trap "exit 1" HUP INT QUIT TERM TMP_GRAMMAR="${TMP_DIR}/numbers.g" tests/tools/grammatiker/EBNF/scripts/ebnf2grammatica ${INPUT_GRAMMAR} \ > ${TMP_GRAMMAR} while read LINE do tests/tools/grammatiker/BNF/scripts/grammatica-tree \ ${TMP_GRAMMAR} \ <(echo -n ${LINE}) done < tests/inputs/numbers.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_053.inp0000644000200400020040000000003515112031047026571 0ustar andriusandriusa >= 0 AND NOT b < c OR c = 0OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_040.opt0000644000200400020040000000003115112031047026575 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/ere_numbers_005.sh0000755000200400020040000000041415112031047027477 0ustar andriusandrius#! /bin/sh # Test case: test if a provided ERE correctly recognises integer and # real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/numbers.ere #END DEPEND grep -vE "^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$" tests/inputs/not-numbers.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_058.inp0000644000200400020040000000006615112031047026602 0ustar andriusandriuschemical_formula = "H2O" AND prototype_formula != "AB"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/ebnf_numbers_001.sh0000755000200400020040000000053615112031047027637 0ustar andriusandrius#! /bin/bash # Test case: test if a provided EBNF grammar correctly recognises # integer and real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/Number.ebnf #END DEPEND tests/tools/grammatiker/BNF/scripts/grammatica-tree \ <(tests/tools/grammatiker/EBNF/scripts/ebnf2grammatica ${INPUT_GRAMMAR}) \ <(echo -n 1234) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_046.inp0000644000200400020040000000005215112031047026572 0ustar andriusandrius((NOT (_exmpl_a>_exmpl_b)) AND _exmpl_x>0)OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_040.inp0000644000200400020040000000002515112031047026564 0ustar andriusandriuschemical_formula = 42OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_050.inp0000644000200400020040000000014015112031047026563 0ustar andriusandrius_exmpl_aax <= +.1e8 OR nelements >= 10 AND NOT ( _exmpl_x != "Some string" OR NOT _exmpl_a = 7) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_019.opt0000644000200400020040000000003115112031047026603 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_024.inp0000644000200400020040000000002715112031047026570 0ustar andriusandriuschemical_formula KNOWN OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_071.opt0000644000200400020040000000003115112031047026601 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_006.opt0000644000200400020040000000003115112031047026577 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_033.inp0000644000200400020040000000016615112031047026574 0ustar andriusandriuselements HAS "H" AND elements HAS ALL "H" AND elements HAS ONLY "H" AND elements HAS ANY "H" AND elements HAS ONLY "H"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_021.opt0000644000200400020040000000003115112031047026574 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_051.opt0000644000200400020040000000003115112031047026577 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/ere_numbers_001.sh0000755000200400020040000000040715112031047027475 0ustar andriusandrius#! /bin/sh # Test case: test if a provided ERE correctly recognises integer and # real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/numbers.ere #END DEPEND grep -E "^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$" tests/inputs/numbers.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_010.inp0000644000200400020040000000017515112031047026567 0ustar andriusandriusaax <= +.1e8 OR c21 >= 10 AND NOT f = y OR NOT a >= b OR x = t OR ( NOT x != "Some string" OR a = b AND x > v AND NOT v < w) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_007.inp0000644000200400020040000000012315112031047026566 0ustar andriusandriusaax <= +.1e8 OR c21 >= "Sąžininga žąsis" AND NOT ( x != "Some \\ \"string\"" ) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_019.inp0000644000200400020040000000003515112031047026573 0ustar andriusandriuschemical_formula CONTAINS 42 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_036.opt0000644000200400020040000000003115112031047026602 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_057.opt0000644000200400020040000000003115112031047026605 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/pcre_symops_002.sh0000755000200400020040000000057515112031047027541 0ustar andriusandrius#! /bin/sh # Test case: test if a provided PCRE correctly recognises symmetry # operation strings. #BEGIN DEPEND INPUT_DEFS=tests/generated/symop_definitions.pcre INPUT_GRAMMAR=tests/generated/symops.pcre #END DEPEND perl -I. -w -ne " require '${INPUT_DEFS}'; print unless /$(grep -v '^ *#' ${INPUT_GRAMMAR} | perl -pe 's/ #.*//')/x " \ tests/inputs/symops.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_055.opt0000644000200400020040000000003115112031047026603 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_042.opt0000644000200400020040000000003115112031047026577 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_063.opt0000644000200400020040000000003115112031047026602 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_044.inp0000644000200400020040000000016015112031047026570 0ustar andriusandriusnelements = 42 AND nelements > 42 AND nelements < 42 AND nelements != 42 AND nelements >= 42 AND nelements <= 42OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Number_002.inp0000644000200400020040000000001015112031047026557 0ustar andriusandrius+.1E-123OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_030.inp0000644000200400020040000000002215112031047026560 0ustar andriusandriusLENGTH elements 42OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_057.inp0000644000200400020040000000015215112031047026575 0ustar andriusandriuselements:_exmpl_element_counts:_exmpl_element_weights HAS ANY > 3:"He":>55.3 , = 6:>"Ti":<37.6 , 8:<"Ga":0OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_022.opt0000644000200400020040000000003115112031047026575 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_013.opt0000644000200400020040000000003115112031047026575 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_043.opt0000644000200400020040000000003115112031047026600 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/ere_numbers_003.sh0000755000200400020040000000040515112031047027475 0ustar andriusandrius#! /bin/sh # Test case: test if a provided ERE correctly recognises integer and # real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/numbers.ere #END DEPEND grep -E "^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$" tests/inputs/reals.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_045.inp0000644000200400020040000000017015112031047026572 0ustar andriusandriusNOT ( chemical_formula = "Al" AND prototype_formula = "A" OR prototype_formula = "H2O" AND NOT chemical_formula = "Ti" )OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_047.inp0000644000200400020040000000001515112031047026572 0ustar andriusandriusnelements > 3OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/ebnf_numbers_006.sh0000755000200400020040000000151215112031047027637 0ustar andriusandrius#! /bin/bash # Test case: test if a provided EBNF grammar correctly recognises # integer and real (floating-point) numbers. BASENAME="$(basename $0)" #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/Number.ebnf #END DEPEND test -z "${TMP_DIR}" && TMP_DIR="." TMP_DIR="${TMP_DIR}/tmp-${BASENAME}-$$" mkdir "${TMP_DIR}" # To make the trap portable between bash and dash, we need to trap # "signal" 0 ("EXIT") and rely on it for the cleanup: ## trap "rm -rf '${TMP_DIR}'" 0 1 2 3 15 trap "rm -rf '${TMP_DIR}'" EXIT trap "exit 1" HUP INT QUIT TERM TMP_GRAMMAR="${TMP_DIR}/numbers.g" tests/tools/grammatiker/EBNF/scripts/ebnf2grammatica ${INPUT_GRAMMAR} \ > ${TMP_GRAMMAR} while read LINE do tests/tools/grammatiker/BNF/scripts/grammatica-tree \ ${TMP_GRAMMAR} \ <(echo -n ${LINE}) done < tests/inputs/not-numbers.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_051.inp0000644000200400020040000000007515112031047026573 0ustar andriusandrius_exmpl_melting_point<300 AND nelements=4 AND elements="Si,O2"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_039.inp0000644000200400020040000000034015112031047026574 0ustar andriusandriuselements:element_counts HAS "H":6 AND elements:element_counts HAS ALL "H":6,"He":7 AND elements:element_counts HAS ONLY "H":6 AND elements:element_counts HAS ANY "H":6,"He":7 AND elements:element_counts HAS ONLY "H":6,"He":7OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_066.opt0000644000200400020040000000003115112031047026605 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_082.inp0000644000200400020040000000004115112031047026570 0ustar andriusandriuselements HAS ALL STARTS WITH "S" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_026.opt0000644000200400020040000000003115112031047026601 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_024.opt0000644000200400020040000000003115112031047026577 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_059.opt0000644000200400020040000000003115112031047026607 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_063.inp0000644000200400020040000000005215112031047026571 0ustar andriusandrius((NOT (_exmpl_a>_exmpl_b)) AND _exmpl_x>0)OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_005.opt0000644000200400020040000000003115112031047026576 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_014.opt0000644000200400020040000000003115112031047026576 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/pcre_identifiers_002.sh0000755000200400020040000000043015112031047030502 0ustar andriusandrius#! /bin/sh # Test case: test if a provided PCRE correctly recognises integer and # real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/identifiers.pcre #END DEPEND grep -v -P "^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$" tests/inputs/not-identifiers.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_049.inp0000644000200400020040000000006615112031047026602 0ustar andriusandrius_exmpl_bandgap > 5.0 AND _exmpl_molecular_weight < 350OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_018.opt0000644000200400020040000000003115112031047026602 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_011.inp0000644000200400020040000000003615112031047026564 0ustar andriusandrius((NOT (a>b)) AND NOT ((x>0))) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_060.opt0000644000200400020040000000003115112031047026577 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_050.opt0000644000200400020040000000003115112031047026576 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_070.inp0000644000200400020040000000007215112031047026571 0ustar andriusandriusrelationships.references.authors.name CONTAINS "Dijkstra" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_071.inp0000644000200400020040000000002415112031047026567 0ustar andriusandriusa . b. c .d . _ = 5 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Number_001.opt0000644000200400020040000000003115112031047026575 0ustar andriusandriustests/generated/Number.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_049.opt0000644000200400020040000000003115112031047026606 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_031.opt0000644000200400020040000000003115112031047026575 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/pcre_symops_001.sh0000755000200400020040000000057115112031047027534 0ustar andriusandrius#! /bin/sh # Test case: test if a provided PCRE correctly recognises symmetry # operation strings. #BEGIN DEPEND INPUT_DEFS=tests/generated/symop_definitions.pcre INPUT_GRAMMAR=tests/generated/symops.pcre #END DEPEND perl -I. -w -ne " require '${INPUT_DEFS}'; print if /$(grep -v '^ *#' ${INPUT_GRAMMAR} | perl -pe 's/ #.*//')/x " \ tests/inputs/symops.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/pcre_numbers_005.sh0000755000200400020040000000056015112031047027657 0ustar andriusandrius#! /bin/sh # Test case: test if a provided PCRE correctly recognises integer and # real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/numbers.pcre #END DEPEND #grep -vP "^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$" tests/inputs/not-numbers.lst perl -ne "print unless /^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$/" tests/inputs/not-numbers.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_080.opt0000644000200400020040000000003115112031047026601 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_005.inp0000644000200400020040000000000415112031047026562 0ustar andriusandriusa=1 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_025.opt0000644000200400020040000000003115112031047026600 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_016.inp0000644000200400020040000000003615112031047026571 0ustar andriusandrius( ( chemical_formula = "Al" ) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_061.inp0000644000200400020040000000004015112031047026564 0ustar andriusandrius_exmpl_some_string_property = 42OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_029.inp0000644000200400020040000000002515112031047026573 0ustar andriusandriuselements LENGTH IS 42OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_002.inp0000644000200400020040000000002215112031047026557 0ustar andriusandrius(NOT a>b AND x>0) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_052.opt0000644000200400020040000000003115112031047026600 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_014.inp0000644000200400020040000000003215112031047026563 0ustar andriusandrius((NOT (a>b)) AND ((x>0))) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_081.opt0000644000200400020040000000003115112031047026602 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_041.opt0000644000200400020040000000003115112031047026576 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_006.inp0000644000200400020040000000005215112031047026566 0ustar andriusandriusb="kva" AND (10 ) ) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/ecma_symops_001.sh0000755000200400020040000000104515112031047027505 0ustar andriusandrius#! /bin/sh # Test case: test if the provided ECMA-compatible regular expression correctly # recognises symmetry operation strings. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/symops.ecma #END DEPEND /usr/bin/env python << EOF import re import sys with open("${INPUT_GRAMMAR}") as f: expression = [line.strip() for line in f.readlines() if line.strip() and not line.strip().startswith("#")][0] with open("tests/inputs/symops.lst") as cases: for case in cases: if re.match(expression, case): print(case, end="") EOF OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_069.opt0000644000200400020040000000003115112031047026610 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_021.inp0000644000200400020040000000013715112031047026567 0ustar andriusandriuschemical_formula CONTAINS "Al" AND chemical_formula STARTS "Al" AND chemical_formula ENDS "Al" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/pcre_numbers_002.sh0000755000200400020040000000054515112031047027657 0ustar andriusandrius#! /bin/sh # Test case: test if a provided PCRE correctly recognises integer and # real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/numbers.pcre #END DEPEND #grep -P "^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$" tests/inputs/integers.lst perl -ne "print if /^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$/" tests/inputs/integers.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_034.inp0000644000200400020040000000002715112031047026571 0ustar andriusandriuselements HAS "H", "He" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_067.opt0000644000200400020040000000003115112031047026606 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_038.inp0000644000200400020040000000002315112031047026571 0ustar andriusandriuselements HAS "H":6 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_023.opt0000644000200400020040000000003115112031047026576 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_018.inp0000644000200400020040000000035615112031047026600 0ustar andriusandriusNOT ( chemical_formula = "Al" AND prototype_formula = "A" OR prototype_formula = "Al" AND NOT chemical_formula = "Ti" ) AND ( prototype_formula = "Ga" AND chemical_formula = "Ti" OR ( chemical_formula = "Na" AND chemical_formula = "Ti") )OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_004.inp0000644000200400020040000000010515112031047026563 0ustar andriusandriusaax <= +.1e8 OR c21 >= 10 AND NOT ( x != "Some string" OR NOT a = b) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_038.opt0000644000200400020040000000003115112031047026604 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_076.opt0000644000200400020040000000003115112031047026606 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/pcre_numbers_003.sh0000755000200400020040000000040715112031047027655 0ustar andriusandrius#! /bin/sh # Test case: test if a provided PCRE correctly recognises integer and # real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/numbers.pcre #END DEPEND grep -P "^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$" tests/inputs/reals.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Number_001.inp0000644000200400020040000000000415112031047026561 0ustar andriusandrius3456OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_075.opt0000644000200400020040000000003115112031047026605 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_052.inp0000644000200400020040000000004415112031047026570 0ustar andriusandriusNOT a > b OR c = 100 AND f = "C2 H6"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_041.inp0000644000200400020040000000003015112031047026561 0ustar andriusandriuschemical_formula = '42' OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/ere_identifiers_001.sh0000755000200400020040000000042015112031047030322 0ustar andriusandrius#! /bin/sh # Test case: test if a provided PCRE correctly recognises integer and # real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/identifiers.ere #END DEPEND grep -E "^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$" tests/inputs/identifiers.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_032.opt0000644000200400020040000000003115112031047026576 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_035.opt0000644000200400020040000000003115112031047026601 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/ere_numbers_002.sh0000755000200400020040000000041015112031047027470 0ustar andriusandrius#! /bin/sh # Test case: test if a provided ERE correctly recognises integer and # real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/numbers.ere #END DEPEND grep -E "^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$" tests/inputs/integers.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_073.opt0000644000200400020040000000003115112031047026603 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_035.inp0000644000200400020040000000026615112031047026577 0ustar andriusandriuselements HAS "H" AND elements HAS ALL "H","He","Ga","Ta" AND elements HAS ONLY "H","He","Ga","Ta" AND elements HAS ANY "H", "He", "Ga", "Ta" AND elements HAS ONLY "H","He","Ga","Ta" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_028.opt0000644000200400020040000000003115112031047026603 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_054.opt0000644000200400020040000000003115112031047026602 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Number_002.opt0000644000200400020040000000003115112031047026576 0ustar andriusandriustests/generated/Number.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_020.inp0000644000200400020040000000004615112031047026565 0ustar andriusandriuschemical_formula CONTAINS STARTS "Al" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_034.opt0000644000200400020040000000003115112031047026600 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_076.inp0000644000200400020040000000004115112031047026573 0ustar andriusandriusTRUE = property AND TRUE = FALSE OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_075.inp0000644000200400020040000000011115112031047026570 0ustar andriusandriusstatements HAS ALL TRUE, = TRUE AND number:is_prime HAS ALL < 100 : TRUE OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/ebnf_numbers_002.sh0000755000200400020040000000054215112031047027635 0ustar andriusandrius#! /bin/bash # Test case: test if a provided EBNF grammar correctly recognises # integer and real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/Number.ebnf #END DEPEND tests/tools/grammatiker/BNF/scripts/grammatica-tree \ <(tests/tools/grammatiker/EBNF/scripts/ebnf2grammatica ${INPUT_GRAMMAR}) \ <(echo -n +.1E-123) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_017.opt0000644000200400020040000000003115112031047026601 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_008.opt0000644000200400020040000000003115112031047026601 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_064.inp0000644000200400020040000000015515112031047026576 0ustar andriusandrius chemical_formula CONTAINS "Al" AND chemical_formula STARTS "Al" AND chemical_formula ENDS "Al" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_056.opt0000644000200400020040000000003115112031047026604 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_015.opt0000644000200400020040000000003115112031047026577 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_026.inp0000644000200400020040000000001715112031047026571 0ustar andriusandriuselements LENGTHOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_033.opt0000644000200400020040000000003115112031047026577 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_008.inp0000644000200400020040000000002615112031047026571 0ustar andriusandrius((NOT (a>b)) AND x>0) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_009.opt0000644000200400020040000000003115112031047026602 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_012.opt0000644000200400020040000000003115112031047026574 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_068.opt0000644000200400020040000000003115112031047026607 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_080.inp0000644000200400020040000000006015112031047026567 0ustar andriusandriusname:surname HAS STARTS WITH "J":CONTAINS "Doe" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/pcre_symops_003.sh0000755000200400020040000000070415112031047027534 0ustar andriusandrius#! /bin/sh # Test case: test if the PCRE given in the OPTIMADE standard correctly # recognises symmetry operations from the 'optimade.rst' examples: #BEGIN DEPEND INPUT_DEFS=tests/generated/symop_definitions.pcre INPUT_GRAMMAR=tests/generated/symops.pcre #END DEPEND perl -I. -w -ne " require '${INPUT_DEFS}'; print if /$(grep -v '^ *#' ${INPUT_GRAMMAR} | perl -pe 's/ #.*//')/x " \ < b AND (a > 0 OR b > 0) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_074.opt0000644000200400020040000000003115112031047026604 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_009.inp0000644000200400020040000000007115112031047026572 0ustar andriusandriusaax <= +.1e8 OR c21 >= 10 AND NOT ( x != "Some string" ) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_029.opt0000644000200400020040000000003115112031047026604 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_025.inp0000644000200400020040000000007315112031047026572 0ustar andriusandriuschemical_formula IS KNOWN AND prototype_formula IS UNKNOWN OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_067.inp0000644000200400020040000000005515112031047026600 0ustar andriusandrius((NOT(_exmpl_a > _exmpl_b) )AND_exmpl_x> 0 ) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/ebnf_numbers_005.sh0000755000200400020040000000150415112031047027637 0ustar andriusandrius#! /bin/bash # Test case: test if a provided EBNF grammar correctly recognises # integer and real (floating-point) numbers. BASENAME="$(basename $0)" #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/Number.ebnf #END DEPEND test -z "${TMP_DIR}" && TMP_DIR="." TMP_DIR="${TMP_DIR}/tmp-${BASENAME}-$$" mkdir "${TMP_DIR}" # To make the trap portable between bash and dash, we need to trap # "signal" 0 ("EXIT") and rely on it for the cleanup: ## trap "rm -rf '${TMP_DIR}'" 0 1 2 3 15 trap "rm -rf '${TMP_DIR}'" EXIT trap "exit 1" HUP INT QUIT TERM TMP_GRAMMAR="${TMP_DIR}/numbers.g" tests/tools/grammatiker/EBNF/scripts/ebnf2grammatica ${INPUT_GRAMMAR} \ > ${TMP_GRAMMAR} while read LINE do tests/tools/grammatiker/BNF/scripts/grammatica-tree \ ${TMP_GRAMMAR} \ <(echo -n ${LINE}) done < tests/inputs/reals.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_065.opt0000644000200400020040000000003115112031047026604 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_046.opt0000644000200400020040000000003115112031047026603 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_073.inp0000644000200400020040000000011515112031047026572 0ustar andriusandrius((true = TRUE) AND (false = FALSE)) OR ((true != TRUE) AND (false != FALSE)) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_077.opt0000644000200400020040000000003115112031047026607 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_078.inp0000644000200400020040000000003415112031047026577 0ustar andriusandriusNOT boolean_valued_property OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_044.opt0000644000200400020040000000003115112031047026601 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_020.opt0000644000200400020040000000003115112031047026573 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_054.inp0000644000200400020040000000021415112031047026571 0ustar andriusandriuselements HAS "H" AND elements HAS ALL "H","He","Ga","Ta" AND elements HAS ONLY "H","He","Ga","Ta" AND elements HAS ANY "H", "He", "Ga", "Ta"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/ere_numbers_004.sh0000755000200400020040000000041315112031047027475 0ustar andriusandrius#! /bin/sh # Test case: test if a provided ERE correctly recognises integer and # real (floating-point) numbers. #BEGIN DEPEND INPUT_GRAMMAR=tests/generated/numbers.ere #END DEPEND grep -E "^$(grep -vE '^#|^ *$' ${INPUT_GRAMMAR})\$" tests/inputs/not-numbers.lst OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_007.opt0000644000200400020040000000003115112031047026600 0ustar andriusandriustests/generated/Filter.g OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_022.inp0000644000200400020040000000003215112031047026562 0ustar andriusandriusprototype_formula UNKNOWN OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_068.inp0000644000200400020040000000037115112031047026602 0ustar andriusandriuselements :element_counts HAS "H": 6 AND elements : element_counts HAS ALL "H" : 6,"He": 7 AND elements: element_counts HAS ONLY "H" :6 AND elements:element_counts HAS ANY "H" : 6,"He" : 7 AND elements : element_counts HAS ONLY "H" :6,"He": 7 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/cases/Filter_043.inp0000644000200400020040000000020615112031047026570 0ustar andriusandriusnelements = 42 AND nelements > 42 AND nelements < 42 AND nelements != 42 AND nelements >= 42 AND nelements <= 42 AND nelements <> 42 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/makefiles/0000775000200400020040000000000015112031047025113 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/makefiles/Makelocal-authors0000644000200400020040000000135215112031047030410 0ustar andriusandrius#---*- Makefile -*------------------------------------------------------- # Targets related to handling the AUTHORS file .PHONY: test_authors test_authors: tests/generated/AUTHORS.sorted diff -u AUTHORS tests/generated/AUTHORS.sorted || true AUTHORS_TAG=Contributors to the development of the OPTIMADE specification and implementation in alphabetical order: tests/generated/AUTHORS.sorted: AUTHORS awk '{print} /${AUTHORS_TAG}/ {exit}' $< > $@ cat $< \ | awk 'NAMES {print} /${AUTHORS_TAG}/ {NAMES=1}' \ | sed 's/Di /Di_/' \ | awk '{printf("%s:%s\n",$$NF,$$0)}' \ | sort \ | awk -F: '{print $$2}' \ | sed 's/Di_/Di /' \ >> $@ .PHONY: clean clean_authors clean: clean_authors clean_authors: rm -f tests/generated/AUTHORS.sorted OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/makefiles/Makelocal-audit0000644000200400020040000000143115112031047030027 0ustar andriusandrius#---*- Makefile -*------------------------------------------------------- # Targets for auditing the specification .PHONY: audit audit: audit_grammars audit_authors audit_spelling audit_schemas @echo "==============================================" @echo "Audit of specification completed successfully." @echo "==============================================" .PHONY: audit_grammars audit_grammars: $(MAKE) tools $(MAKE) grammars $(MAKE) tests (exit $$($(MAKE) -s listdiff | head -n 1 | wc -l)) .PHONY: audit_authors audit_authors: test_authors diff -q AUTHORS tests/generated/AUTHORS.sorted .PHONY: audit audit_spelling audit_spelling: @echo "Spellcheck is not yet part of the audit of the specification." .PHONY: audit_schemas audit_schemas: $(MAKE) validate_schemas OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/makefiles/Makelocal-display0000644000200400020040000000014015112031047030362 0ustar andriusandrius#--*- Makefile -*-- VARIABLE=PATH .PHONY: display display: @echo ${VARIABLE}=${${VARIABLE}} OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/makefiles/Makelocal-tests0000644000200400020040000001076615112031047030076 0ustar andriusandrius#---*- Makefile -*------------------------------------------------------- # Run tests in a test directory (tests/cases by default) and report if # all tests pass. TOOL_DIR ?= tests/tools BIN_DIR ?= ./tests/scripts/ TEST_DIR = tests/cases OUTP_DIR = tests/outputs TEST_FILES = ${wildcard ${TEST_DIR}/*.inp} TEST_DIFF_FILES = ${TEST_FILES:${TEST_DIR}/%.inp=${OUTP_DIR}/%.diff} TEST_OUTP_FILES = ${TEST_FILES:${TEST_DIR}/%.inp=${OUTP_DIR}/%.out} OPT_FILES = ${wildcard ${TEST_DIR}/*.opt} OPT_DIFF_FILES = ${OPT_FILES:${TEST_DIR}/%.opt=${OUTP_DIR}/%.diff} OPT_OUTP_FILES = ${OPT_FILES:${TEST_DIR}/%.opt=${OUTP_DIR}/%.out} SH_FILES = ${wildcard ${TEST_DIR}/*.sh} SH_DIFF_FILES = ${SH_FILES:${TEST_DIR}/%.sh=${OUTP_DIR}/%.diff} SH_OUTP_FILES = ${SH_FILES:${TEST_DIR}/%.sh=${OUTP_DIR}/%.out} DIFF_FILES = $(sort ${TEST_DIFF_FILES} ${OPT_DIFF_FILES} ${SH_DIFF_FILES}) OUTP_FILES = $(sort ${TEST_OUTP_FILES} ${OPT_OUTP_FILES} ${SH_OUTP_FILES}) .PHONY: tests all: tests #------------------------------------------------------------------------------ # Automatic dependency generation: PATH := ${PATH}:${TOOL_DIR}/mkdepend export PATH DEPEND=${SH_FILES:${TEST_DIR}/%.sh=${TEST_DIR}/.%.d} include ${DEPEND} ${TEST_DIR}/.%.d: ${TEST_DIR}/%.sh mkcomdepend $< \ | sed 's,^tests/cases/,tests/outputs/,; s/^\(.*\)\.sh.log:/\1.diff:/' \ > $@ mkcomdepend $< \ | sed 's,^tests/cases/,tests/outputs/,; s/^\(.*\)\.sh.log:/\1.out:/' \ | grep '\.out: ' \ >> $@ #------------------------------------------------------------------------------ .PHONY: check test tests out outputs check test tests: ${DIFF_FILES} out outputs: ${OUTP_FILES} EXTRA_TEST_DEPS = ${GRAMMATIKER_LOG} #------------------------------------------------------------------------------ define filter_output perl -pe 's/^(\s*\w+)\((\d+)\)/$$1(9999)/' endef # Rules to run script-specific tests: DIFF_CMD = diff -I '/dev/fd/[0-9][0-9]*' ${OUTP_DIR}/%.diff: ${TEST_DIR}/%.inp ${TEST_DIR}/%.opt | ${EXTRA_TEST_DEPS} -@printf "%-30s " "$<:" ; \ ${BIN_DIR}$(shell echo $* | sed -e 's/_[0-9]*$$//') \ $(shell grep -v '^#' ${word 2, $^}) \ $< \ 2>&1 \ | ${filter_output} \ | ${DIFF_CMD} ${OUTP_DIR}/$*.out - > $@ ; \ if [ $$? = 0 ]; then echo "OK"; else echo "FAILED:"; cat $@; fi ${OUTP_DIR}/%.diff: ${TEST_DIR}/%.opt | ${EXTRA_TEST_DEPS} -@printf "%-30s " "$<:" ; \ ${BIN_DIR}$(shell echo $* | sed -e 's/_[0-9]*$$//') \ $(shell grep -v '^#' ${word 1, $^}) \ 2>&1 \ | ${filter_output} \ | ${DIFF_CMD} ${OUTP_DIR}/$*.out - > $@ ; \ if [ $$? = 0 ]; then echo "OK"; else echo "FAILED:"; cat $@; fi ${OUTP_DIR}/%.diff: ${TEST_DIR}/%.inp | ${EXTRA_TEST_DEPS} -@printf "%-30s " "$<:" ; \ ${BIN_DIR}$(shell echo $* | sed -e 's/_[0-9]*$$//') \ $< \ 2>&1 \ | ${filter_output} \ | ${DIFF_CMD} ${OUTP_DIR}/$*.out - > $@ ; \ if [ $$? = 0 ]; then echo "OK"; else echo "FAILED:"; cat $@; fi # Shell-script based tests: ${OUTP_DIR}/%.diff: ${TEST_DIR}/%.sh | ${EXTRA_TEST_DEPS} -@printf "%-30s " "$<:" ; \ $< 2>&1 \ | ${filter_output} \ | ${DIFF_CMD} ${OUTP_DIR}/$*.out - > $@ ; \ if [ $$? = 0 ]; then echo "OK"; else echo "FAILED:"; cat $@; fi # Rules to generate sample test outputs: ${OUTP_DIR}/%.out: ${TEST_DIR}/%.inp ${TEST_DIR}/%.opt | ${EXTRA_TEST_DEPS} -@test -f $@ || echo "$@:" -@test -f $@ || \ ${BIN_DIR}$(shell echo $* | sed -e 's/_[0-9]*$$//') \ $(shell grep -v '^#' ${word 2, $^}) \ $< \ 2>&1 \ | ${filter_output} \ | tee $@ -@touch $@ ${OUTP_DIR}/%.out: ${TEST_DIR}/%.opt | ${EXTRA_TEST_DEPS} -@test -f $@ || echo "$@:" -@test -f $@ || \ ${BIN_DIR}$(shell echo $* | sed -e 's/_[0-9]*$$//') \ $(shell grep -v '^#' ${word 1, $^}) \ 2>&1 \ | ${filter_output} \ | tee $@ -@touch $@ ${OUTP_DIR}/%.out: ${TEST_DIR}/%.inp | ${EXTRA_TEST_DEPS} -@test -f $@ || echo "$@:" -@test -f $@ || \ ${BIN_DIR}$(shell echo $* | sed -e 's/_[0-9]*$$//') \ $< \ 2>&1 \ | tee $@ -@touch $@ ${OUTP_DIR}/%.out: ${TEST_DIR}/%.sh | ${EXTRA_TEST_DEPS} -@test -f $@ || echo "$@:" -@test -f $@ || \ $< 2>&1 \ | ${filter_output} \ | tee $@ -@touch $@ #------------------------------------------------------------------------------ .PHONY: listdiff listdiff: ## test @- if [ -d ${OUTP_DIR} ]; then \ find ${OUTP_DIR} -name '*.diff' -size +0 | sort -u; \ fi #------------------------------------------------------------------------------ .PHONY: test-clean test-distclean test-cleanAll test-clean: rm -f ${DIFF_FILES} test-distclean test-cleanAll: test-clean rm -f ${DEPEND} clean: test-clean distclean: test-distclean cleanAll: test-cleanAll OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/makefiles/Makelocal-docker0000644000200400020040000000100015112031047030160 0ustar andriusandrius#---*- Makefile -*------------------------------------------------------- # Helper targets for handling a docker container, # for now only used to run 'make audit'. .PHONY: docker_audit docker_audit: docker build -t optimade . -f tests/tools/Dockerfile docker run -it --rm optimade:latest docker_rebuild_grammar_tests: docker build -t optimade . -f tests/tools/Dockerfile docker run -v $(CURDIR)/tests/outputs:/root/optimade/tests/outputs -it --rm optimade:latest /bin/bash -c "make distclean; make out" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/makefiles/Makelocal-output0000644000200400020040000000103715112031047030263 0ustar andriusandrius#---*- Makefile -*------------------------------------------------------- # Makelocal-output PDF_FILES = ${RST_FILES:%.rst=%.pdf} .PHONY: pdf pdf: ${PDF_FILES} %.pdf: %.rst pandoc $< -o $@ HTML_FILES = ${RST_FILES:%.rst=%.html} .PHONY: html html: ${HTML_FILES} %.html: %.rst ./tests/makefiles/style.css $(shell which rst2html5.py || which rst2html5 || echo "rst2html5.py") -d --syntax-highlight=none --stylesheet=$(word 2, $^) $< $@ .PHONY: clean clean-output clean: clean-output clean-output: rm -f $(PDF_FILES) $(HTML_FILES) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/makefiles/Makelocal-run0000644000200400020040000000104615112031047027527 0ustar andriusandrius#--*- Makefile -*-- # The 'make run' target for quick testing of grammars: # make run # make run TEXT_TO_PARSE=filter.txt # make run TEXT_TO_PARSE=filter.txt GRAMMAR=grammars/filters.ebnf TOOL_DIR ?= tools/ GRAMMAT ?= $(word 1,$(sort ${GRAMMAR_FILES})) TEXT_TO_PARSE ?= tests/inputs/filter.txt .PHONY: run run: ${GRAMMAT} awk '{print}' ${TEXT_TO_PARSE} ${TOOL_DIR}/grammatiker/BNF/scripts/grammatica-tree $< ${TEXT_TO_PARSE} ${GEN_DIR}/%.g: $(dir ${GRAMMAR})/%.ebnf ${TOOL_DIR}/grammatiker/EBNF/scripts/ebnf2grammatica $< > $@ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/makefiles/style.css0000644000200400020040000003453215112031047026772 0ustar andriusandrius/* This is an OPTIMADE adjustment of the minimal CSS for HTML output from Docutils. */ :root { --bg-color: white; --fg-color: #000000; --code-bg-color: #F0F0F0; --code-fg-color: #282828; --primary: #007bff; --secondary: #50fa7b; --tertiary: #ff414d; --quaternary: #7a2dd0; --external-refs: var(--tertiary); --inline-refs: var(--primary); --monospace-font-family: monospace; --sans-serif-font-family: sans-serif; } @media (prefers-color-scheme: dark) { :root { --bg-color: #161625; --fg-color: #dcdcdc; --code-fg-color: #f8f8f8; --code-bg-color: #3a3d4d; --primary: #007bff; --secondary: #50fa7b; --tertiary: #ff414d; --quaternary: #7a2dd0; --external-refs: var(--tertiary); --inline-refs: var(--primary); --monospace-font-family: monospace; --sans-serif-font-family: sans-serif; } } body { font-family: var(--sans-serif-font-family); font-size: 16px; max-width: 60rem; margin-left: 10rem; margin-right: auto; margin-top: 0; margin-bottom: 0; color: var(--fg-color); background-color: var(--bg-color); --field-indent: 9em; /* default indent of fields in field lists */ } /*Banner for development version*/ .banner-container { max-width: 60rem; min-width: 60rem; height: 50px; position: fixed; top: 0; color: var(--code-bg-color); background: var(--code-fg-color); border: outset 2px var(--tertiary); align-items: center; display: flex; justify-content: center; } .banner { text-transform: uppercase; text-align: center; vertical-align: middle; font-size: 1.5em; display: table-cell; } /* "page layout" */ main, footer, header { line-height:1.6; /* avoid long lines --> better reading */ /* optimum is 45…75 characters/line */ /* OTOH: lines should not be too short because of missing hyphenation, */ max-width: 60rem; padding: 1px 2%; /* 1px on top avoids grey bar above title (mozilla) */ margin: auto; } main { counter-reset: table figure; background-color: var(--bg-color); margin-top: 75px; } footer, header { font-size: smaller; padding: 0.5em 2%; border: none; } .reference.internal { text-decoration: dotted underline; text-decoration-thickness: 2px; text-decoration-color: var(--inline-refs); text-decoration-skip-ink: none; text-underline-offset: 2px; color: var(--fg-color); } .auto-toc .reference.internal { text-decoration: none; } .auto-toc .reference.internal .sectnum { text-decoration: dotted underline; text-decoration-thickness: 2px; text-decoration-color: var(--inline-refs); } .reference.external { text-decoration: dotted underline; text-decoration-thickness: 2px; text-underline-offset: 2px; text-decoration-color: var(--external-refs); color: var(--fg-color); } /* Minimal style sheet for the HTML output of Docutils. */ /* */ /* :Author: Günter Milde, based on html4css1.css by David Goodger */ /* :Id: $Id: minimal.css 9079 2022-06-19 14:00:56Z milde $ */ /* :Copyright: © 2015, 2021 Günter Milde. */ /* :License: Released under the terms of the `2-Clause BSD license`_, */ /* in short: */ /* */ /* Copying and distribution of this file, with or without modification, */ /* are permitted in any medium without royalty provided the copyright */ /* notice and this notice are preserved. */ /* */ /* This file is offered as-is, without any warranty. */ /* */ /* .. _2-Clause BSD license: http://www.spdx.org/licenses/BSD-2-Clause */ /* This CSS3 stylesheet defines rules for Docutils elements without */ /* HTML equivalent. It is required to make the document semantics visible. */ /* */ /* .. _validates: http://jigsaw.w3.org/css-validator/validator$link */ /* titles */ p.topic-title, p.admonition-title, p.system-message-title { font-weight: bold; } p.sidebar-title, p.rubric { font-weight: bold; font-size: larger; } p.rubric { color: maroon; } p.subtitle, p.section-subtitle, p.sidebar-subtitle { font-weight: bold; margin-top: -0.5em; } h1 + p.subtitle { font-size: 1.6em; } a.toc-backref { color: inherit; text-decoration: none; } /* Warnings, Errors */ .system-messages h2, .system-message-title, span.problematic { color: red; } /* Inline Literals */ .docutils.literal { font-family: var(--monospace-font-family); white-space: pre-wrap; color: var(--code-fg-color); background-color: var(--code-bg-color); border-radius: 0.2em; overflow-wrap: anywhere; padding-left: 4px; padding-right: 4px; padding-top: 2px; padding-bottom: 2px; } /* do not wrap at hyphens and similar: */ /*.literal > span.pre { white-space: nowrap; }*/ /* Lists */ /* compact and simple lists: no margin between items */ .simple li, .simple ul, .simple ol, .compact li, .compact ul, .compact ol, .simple > li p, dl.simple > dd, .compact > li p, dl.compact > dd { margin-top: 0; margin-bottom: 0; } /* Nested Paragraphs */ p:first-child { margin-top: 0; } p:last-child { margin-bottom: 0; } details > p:last-child { margin-bottom: 1em; } /* Table of Contents */ .contents ul.auto-toc { /* section numbers present */ list-style-type: none; } /* Enumerated Lists */ ol.arabic { list-style: decimal } ol.loweralpha { list-style: lower-alpha } ol.upperalpha { list-style: upper-alpha } ol.lowerroman { list-style: lower-roman } ol.upperroman { list-style: upper-roman } /* Definition Lists and Derivatives */ dt .classifier { font-style: italic } dt .classifier:before { font-style: normal; margin: 0.5em; content: ":"; } /* Field Lists and similar */ /* bold field name, content starts on the same line */ dl.field-list, dl.option-list, dl.docinfo { display: flow-root; } dl.field-list > dt, dl.option-list > dt, dl.docinfo > dt { font-weight: bold; clear: left; float: left; margin: 0; padding: 0; padding-right: 0.2em; } /* Offset for field content (corresponds to the --field-name-limit option) */ dl.field-list > dd, dl.option-list > dd, dl.docinfo > dd { margin-left: 9em; /* ca. 14 chars in the test examples, fit all Docinfo fields */ } /* start nested lists on new line */ dd > dl:first-child, dd > ul:first-child, dd > ol:first-child { clear: left; } /* start field-body on a new line after long field names */ dl.field-list > dd > *:first-child, dl.option-list > dd > *:first-child { display: inline-block; width: 100%; margin: 0; } /* Bibliographic Fields (docinfo) */ dl.docinfo pre.address { font: inherit; margin: 0.5em 0; } dl.docinfo > dd.authors > p { margin: 0; } /* Option Lists */ dl.option-list > dt { font-weight: normal; } span.option { white-space: nowrap; } /* Footnotes and Citations */ .footnote, .citation { margin: 1em 0; } /* default paragraph skip (Firefox) */ /* hanging indent */ .citation { padding-left: 2em; } .footnote { padding-left: 1.7em; } .footnote.superscript { padding-left: 1.0em; } .citation > .label { margin-left: -2em; } .footnote > .label { margin-left: -1.7em; } .footnote.superscript > .label { margin-left: -1.0em; } .footnote > .label + *, .citation > .label + * { display: inline-block; margin-top: 0; vertical-align: top; } .footnote > .backrefs + *, .citation > .backrefs + * { margin-top: 0; } .footnote > .label + p, .footnote > .backrefs + p, .citation > .label + p, .citation > .backrefs + p { display: inline; vertical-align: inherit; } .backrefs { user-select: none; } .backrefs > a { font-style: italic; } /* superscript footnotes */ a[role="doc-noteref"].superscript, .footnote.superscript > .label, .footnote.superscript > .backrefs { vertical-align: super; font-size: smaller; line-height: 1; } a[role="doc-noteref"].superscript > .fn-bracket, .footnote.superscript > .label > .fn-bracket { /* hide brackets in display but leave for copy/paste */ display: inline-block; width: 0; overflow: hidden; } [role="doc-noteref"].superscript + [role="doc-noteref"].superscript { padding-left: 0.15em; /* separate consecutive footnote references */ /* TODO: unfortunately, "+" also selects with text between the references. */ } /* Alignment */ .align-left { text-align: left; margin-right: auto; } .align-center { text-align: center; margin-left: auto; margin-right: auto; } .align-right { text-align: right; margin-left: auto; } .align-top { vertical-align: top; } .align-middle { vertical-align: middle; } .align-bottom { vertical-align: bottom; } /* reset inner alignment in figures and tables */ figure.align-left, figure.align-right, table.align-left, table.align-center, table.align-right { text-align: inherit; } /* Text Blocks */ .topic { margin: 1em 2em; } .sidebar, .admonition, .system-message { margin: 1em 2em; border: thin solid; padding: 0.5em 1em; } div.line-block { display: block; } div.line-block div.line-block, pre { margin-left: 2em; } /* Tables */ table { border-collapse: collapse; } td, th { border: thin solid silver; padding: 0 1ex; } .borderless td, .borderless th { border: 0; padding: 0; padding-right: 0.5em /* separate table cells */ } table > caption { text-align: left; margin-top: 0.2em; margin-bottom: 0.2em; } table.captionbelow { caption-side: bottom; } /* Document Header and Footer */ header { border-bottom: 1px solid black; } footer { border-top: 1px solid black; } /* Images are block-level by default in Docutils */ /* New HTML5 block elements: set display for older browsers */ img, header, footer, main, aside, nav, section, figure, video, details { display: block; } /* inline images */ p img, p video, figure img, figure video { display: inline; } /* CSS31_ style sheet for the output of Docutils HTML writers. */ /* Rules for easy reading and pre-defined style variants. */ /* */ /* :Author: Günter Milde, based on html4css1.css by David Goodger */ /* :Id: $Id: plain.css 9338 2023-04-08 21:08:47Z milde $ */ /* :Copyright: © 2015 Günter Milde. */ /* :License: Released under the terms of the `2-Clause BSD license`_, */ /* in short: */ /* */ /* Copying and distribution of this file, with or without modification, */ /* are permitted in any medium without royalty provided the copyright */ /* notice and this notice are preserved. */ /* */ /* This file is offered as-is, without any warranty. */ /* */ /* .. _2-Clause BSD license: http://www.spdx.org/licenses/BSD-2-Clause */ /* .. _CSS3: https://www.w3.org/Style/CSS/ */ /* Document Structure */ /* ****************** */ /* Table of Contents */ ul.auto-toc > li > p { padding-left: 1em; text-indent: -1em; } nav.contents ul { padding-left: 1em; } main > nav.contents ul ul ul ul:not(.auto-toc) { list-style-type: '\2B29\ '; } main > nav.contents ul ul ul ul ul:not(.auto-toc) { list-style-type: '\2B1D\ '; } /* Transitions */ hr.docutils { width: 80%; margin-top: 1em; margin-bottom: 1em; clear: both; } /* Paragraphs */ /* vertical space (parskip) */ p, ol, ul, dl, li, div.line-block, .footnote, .citation, div > math, table { margin-top: 0.5em; margin-bottom: 0.5em; } h1, h2, h3, h4, h5, h6, dd, details > p:last-child { margin-bottom: 0.5em; } /* Lists */ /* ===== */ /* Definition Lists */ /* Indent lists nested in definition lists */ dd > ul:only-child, dd > ol:only-child { padding-left: 1em; } /* Description Lists */ /* styled like in most dictionaries, encyclopedias etc. */ dl.description { display: flow-root; } dl.description > dt { font-weight: bold; clear: left; float: left; margin: 0; padding: 0; padding-right: 0.3em; } dl.description > dd:after { display: table; content: ""; clear: left; /* clearfix for empty descriptions */ } /* Field Lists */ dl.field-list > dd, dl.docinfo > dd { margin-left: var(--field-indent); /* adapted in media queries or HTML */ } /* example for custom field-name width */ dl.field-list.narrow > dd { --field-indent: 5em; } /* run-in: start field-body on same line after long field names */ dl.field-list.run-in > dd p { display: block; } /* Bibliographic Fields */ /* generally, bibliographic fields use dl.docinfo */ /* but dedication and abstract are placed into divs */ div.abstract p.topic-title { text-align: center; } div.dedication { margin: 2em 5em; text-align: center; font-style: italic; } div.dedication p.topic-title { font-style: normal; } /* disclosures */ details { padding-left: 1em; } summary { margin-left: -1em; } /* Text Blocks */ /* =========== */ /* Literal Blocks */ pre.literal-block, pre.doctest-block, pre.math, pre.code { font-family: var(--monospace-font-family); background-color: var(--code-bg-color); border: thin solid var(--fg-color); color: var(--code-fg-color); border-radius: 0.2em; padding-left: 0.5em; overflow: auto; } /* Block Quotes and Topics */ blockquote { background-color: var(--code-bg-color); color: var(--fg-color); border: thin solid var(--fg-color); border-radius: 0.2em; padding: 0.5em 1em; } blockquote p.attribution, .topic p.attribution { text-align: right; margin-left: 20%; } /* Code */ pre.code { padding: 0.7ex } pre.code, code { background-color: var(--code-bg-color); font-family: var(--monospace-font-family); color: var(--code-fg-color); } sup, sub { line-height: 0.8; } /* do not add leading for lines with sup/sub */ /* Hyperlink References */ a { text-decoration: none; } OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/makefiles/Makeconfig-tools0000644000200400020040000000043415112031047030236 0ustar andriusandrius#---*- Makefile -*------------------------------------------------------- # Configure where the testing tools reside. The ${TOOL_DIR} variable, # as of 2018-11-20, is used in Makelocal-grammars, Makelocal-run, # Makelocal-tests and Makelocal-tools makefiles: TOOL_DIR = tests/tools OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/makefiles/Makelocal-spell0000644000200400020040000000061715112031047030045 0ustar andriusandrius#---*- Makefile -*------------------------------------------------------- # Targets related to spellchecking the specification .PHONY: fix_spelling # Interactively fix spelling errors and add to .words.lst fix_spelling: aspell check -x -p ./.words.lst -l en_US ${RST_FILES} .PHONY: spell # Output all spelling errors to stdout with their line numbers spell: ./tests/scripts/check_spelling.sh OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/makefiles/Makeconfig-grammars0000644000200400020040000000075115112031047030711 0ustar andriusandrius#---*- Makefile -*------------------------------------------------------- # Configure where the grammar source files reside: RST_FILE_DIR = . RST_FILES = $(wildcard ${RST_FILE_DIR}/*.rst) GRAMMAR_START_STRING = \(\* BEGIN EBNF GRAMMAR GRAMMAR_END_STRING = \(\* END EBNF GRAMMAR GRAMMARS = $(shell awk '/^ *${GRAMMAR_START_STRING}/{print $$5}' ${RST_FILES}) GRAMMAR_DIR = tests/generated EBNF_FILES = ${GRAMMARS:%=${GRAMMAR_DIR}/%.ebnf} GRAMMAR_FILES = ${EBNF_FILES:%.ebnf=%.g} OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/makefiles/Makelocal-grammars0000644000200400020040000000514115112031047030534 0ustar andriusandrius#---*- Makefile -*------------------------------------------------------- # Extract grammars from the *.rst files and run tests against them. RST_FILE_DIR ?= . TOOL_DIR ?= tests/tools RST_FILES ?= $(wildcard ${RST_FILE_DIR}/*.rst) GRAMMAR_START_STRING ?= \(\* BEGIN EBNF GRAMMAR GRAMMAR_END_STRING ?= \(\* END EBNF GRAMMAR RE_START_STRING ?= \#BEGIN RE_END_STRING ?= \#END GRAMMARS ?= $(shell awk '/^ *${GRAMMAR_START_STRING}/{print $$5}' ${RST_FILES}) GRAMMAR_DIR ?= tests/generated EBNF_FILES ?= ${GRAMMARS:%=${GRAMMAR_DIR}/%.ebnf} GRAMMAR_FILES ?= ${EBNF_FILES:%.ebnf=%.g} REGEXPS = $(sort $(shell awk '/^ *${RE_START_STRING}/{print $$3}' ${RST_FILES} | tr -d "\r")) REGEXP_FILES = ${REGEXPS:%=${GRAMMAR_DIR}/%.ere} ${REGEXPS:%=${GRAMMAR_DIR}/%.pcre} ${REGEXPS:%=${GRAMMAR_DIR}/%.ecma} GRAMMAR_DEPENDENCIES = .grammars.d include ${GRAMMAR_DEPENDENCIES} .PHONY: grammars grammars: ${GRAMMAR_FILES} all: grammars .PHONY: test tests ${DIFF_FILES}: ${GRAMMAR_FILES} ${OUTP_FILES}: ${GRAMMAR_FILES} #------------------------------------------------------------------------------ ${GRAMMAR_DEPENDENCIES}: ${RST_FILES} awk '/^ *${GRAMMAR_START_STRING}/{print "${GRAMMAR_DIR}/"$$5".ebnf:", FILENAME}' \ $^ > $@ awk '/^ *${RE_START_STRING} ERE/{print "${GRAMMAR_DIR}/"$$3".ere:", FILENAME}' \ $^ | tr -d "\r" >> $@ awk '/^ *${RE_START_STRING} PCRE/{print "${GRAMMAR_DIR}/"$$3".pcre:", FILENAME}' \ $^ | tr -d "\r" >> $@ awk '/^ *${RE_START_STRING} ECMA/{print "${GRAMMAR_DIR}/"$$3".ecma:", FILENAME}' \ $^ | tr -d "\r" >> $@ ${GRAMMAR_DIR}/%.ebnf: awk '/^ *${GRAMMAR_START_STRING} $*/,/^ *${GRAMMAR_END_STRING} $*/' $< \ | sed 's/^ //' > $@ ${GRAMMAR_DIR}/%.ere: awk '/^ *${RE_START_STRING} ERE $*/,/^ *${RE_END_STRING} ERE $*/' $< \ | sed 's/^ //' | tr -d "\r" > $@ ${GRAMMAR_DIR}/%.pcre: awk '/^ *${RE_START_STRING} PCRE $*/,/^ *${RE_END_STRING} PCRE $*/' $< \ | sed 's/^ //' | tr -d "\r" > $@ ${GRAMMAR_DIR}/%.ecma: awk '/^ *${RE_START_STRING} ECMA $*/,/^ *${RE_END_STRING} ECMA $*/' $< \ | sed 's/^ //' | tr -d "\r" > $@ .PHONY: tools ${GRAMMAR_DIR}/%.g: ${GRAMMAR_DIR}/%.ebnf | tools ${TOOL_DIR}/grammatiker/EBNF/scripts/ebnf2grammatica $< \ | perl -pe 's/\[\^\\x00-\\x7F\]/\[\\P\{ASCII\}\]/' \ > $@ #------------------------------------------------------------------------------ .PHONY: grammar-clean grammar-distclean grammar-clean: rm -f ${EBNF_FILES} rm -f ${REGEXP_FILES} rm -f ${GRAMMAR_FILES} grammar-distclean: grammar-clean rm -f ${GRAMMAR_DEPENDENCIES} .PHONY: clean distclean cleanAll clean: grammar-clean distclean: grammar-distclean cleanAll: grammar-distclean OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/makefiles/Makelocal-tools0000644000200400020040000000520315112031047030062 0ustar andriusandrius#---*- Makefile -*------------------------------------------------------- # Download and build tools and external depedencies necessary for this # directory. TOOL_DIR ?= tests/tools .PHONY: all tools all: tools tools: grammatica grammatiker # Local installation of Grammatica: GRAMMATICA_VERSION ?= 1.6 GRAMMATICA_SRV = https://github.com/Materials-Consortia/grammatica/archive # The variable below is needed to download a relesed file from # https://github.com/cederberg/grammatica/releases/download/v.../v...: ## GRAMMATICA_LOC = ${GRAMMATICA_SRV}/download/v${GRAMMATICA_VERSION} GRAMMATICA_LOC = ${GRAMMATICA_SRV} GRAMMATICA_URL = ${GRAMMATICA_LOC}/v${GRAMMATICA_VERSION}.zip GRAMMATICA_LOG = ${TOOL_DIR}/grammatica-${GRAMMATICA_VERSION}.log GRAMMATICA_TOP = $(shell cd $(dir ${GRAMMATICA_LOG}); pwd) GRAMMATICA_DIR = ${GRAMMATICA_TOP}/grammatica-${GRAMMATICA_VERSION} GRAMMATICA_ZIP = ${GRAMMATICA_TOP}/grammatica-${GRAMMATICA_VERSION}.zip .PHONY: grammatica distclean-grammatica grammatica: ${GRAMMATICA_LOG} ${GRAMMATICA_LOG}: test -f ${GRAMMATICA_ZIP} \ || wget -O ${GRAMMATICA_ZIP} ${GRAMMATICA_URL} \ || (rm -vf ${GRAMMATICA_ZIP}; exit 12) cd $(dir $@) && rm -rf $(notdir $(basename $@)) cd $(dir $@) && unzip ${GRAMMATICA_ZIP} patch $(dir $@)/$(notdir $(basename $@))/build.xml $(dir $@)/grammatica-build.patch cd $(dir $@); ( set -uex; cd $(notdir $(basename $@)); ant -k ) 2>&1 \ | tee $(notdir $@) # The ${GRAMMATICA_ZIP} file will *not* be deleted by 'make # distclean-grammatica', to prevent unnecessary downloads from the # ${GRAMMATICA_SRV} server. Remove it manually using # # 'rm ${TOOL_DIR}/grammatica-1.6.zip' # # or analogous command if you want to refetch the archive: distclean-grammatica: rm -rf ${GRAMMATICA_DIR} rm -f ${GRAMMATICA_LOG} DISTCLEAN_TARGETS += distclean-grammatica # Local installation of 'grammatiker': GRAMMATIKER_REV ?= 129 GRAMMATIKER_URL = svn://saulius-grazulis.lt/grammatiker/trunk GRAMMATIKER_LOG = ${TOOL_DIR}/grammatiker-r${GRAMMATIKER_REV}.log GRAMMATIKER_DIR = ${TOOL_DIR}/grammatiker .PHONY: grammatiker distclean-grammatiker grammatiker: ${GRAMMATIKER_LOG} GRAMMATIKER_MAKE ?= make ${GRAMMATIKER_LOG}: ${GRAMMATICA_LOG} svn co -r ${GRAMMATIKER_REV} ${GRAMMATIKER_URL} ${GRAMMATIKER_DIR} \ 2>&1 | tee $@ rm -rf ${GRAMMATIKER_DIR}/EBNF/lib ln -s ${GRAMMATICA_DIR} ${GRAMMATIKER_DIR}/EBNF/lib rm -rf ${GRAMMATIKER_DIR}/BNF/lib ln -s ${GRAMMATICA_DIR} ${GRAMMATIKER_DIR}/BNF/lib test -d ${GRAMMATIKER_DIR} && ${GRAMMATIKER_MAKE} -C ${GRAMMATIKER_DIR} all tests \ 2>&1 | tee -a $@ distclean-grammatiker: rm -rf ${GRAMMATIKER_DIR} rm -f ${GRAMMATIKER_LOG} DISTCLEAN_TARGETS += distclean-grammatiker OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/makefiles/Makelocal-schemas0000644000200400020040000002653215112031047030355 0ustar andriusandrius#---*- Makefile -*------------------------------------------------------- # Use "make schemas schemas_html_pretty=true" to apply OPTIMADE styling to the html pages # Use "make schemas schemas_html_ext=true" to generate html files with .html extensions also for files meant to be served # without extensions, which is useful for hosting, e.g., on github that automatically redirects URLs without extensions. # Dependencies from optimade-property-tools PROCESS_SCHEMAS=dependencies/submodules/optimade-property-tools/bin/process_schemas EXT_SCHEMAS := $(filter-out dependencies/submodules/optimade-property-tools/external/json-schema/LICENSE, $(wildcard dependencies/submodules/optimade-property-tools/external/json-schema/*)) BASEDIR = schemas/src/defs/ BASEID = https://schemas.optimade.org/defs/ BASEDIR_META = schemas/src/meta/ BASEID_META = https://schemas.optimade.org/meta/ ifeq ($(origin schemas_html_pretty), undefined) OPTIMADE_HTML_HEADER ?= OPTIMADE_HTML_TOP ?= else OPTIMADE_HTML_HEADER = OPTIMADE_HTML_TOP =
endif ALL_SCHEMAS := $(wildcard schemas/src/*/*/*/*/*/*/*.yaml schemas/src/*/*/*/*/*/*.yaml schemas/src/*/*/*/*/*.yaml schemas/src/*/*/*/*.yaml schemas/src/*/*/*.yaml) META_SCHEMAS := $(filter schemas/src/meta/%.yaml, $(ALL_SCHEMAS)) META_SCHEMAS_JSON := $(patsubst schemas/src/%.yaml,schemas/output/%.json,$(META_SCHEMAS)) META_SCHEMAS_ARGS := $(foreach schema,$(META_SCHEMAS_JSON),--schema $(schema)) DEFINITIONS := $(filter schemas/src/defs/%.yaml, $(ALL_SCHEMAS)) DEFINITIONS_JSON := $(patsubst schemas/src/%.yaml,schemas/output/%.json,$(DEFINITIONS)) DEFINITIONS_MD := $(patsubst schemas/src/%.yaml,schemas/output/%.md,$(DEFINITIONS)) OTHER_SCHEMAS := $(filter-out schemas/src/meta/%.yaml,$(filter-out schemas/src/defs/%,$(ALL_SCHEMAS))) OTHER_SCHEMAS_JSON := $(patsubst schemas/src/%.yaml,schemas/output/%.json,$(OTHER_SCHEMAS)) OTHER_SCHEMAS_MD := $(patsubst schemas/src/%.yaml,schemas/output/%.md,$(OTHER_SCHEMAS)) ifeq ($(origin schemas_html_ext), undefined) DEFINITIONS_HTML := $(patsubst schemas/src/%.yaml,schemas/output/%,$(DEFINITIONS)) DEFINITIONS_HTML_EXT = else DEFINITIONS_HTML := $(patsubst schemas/src/%.yaml,schemas/output/%.html,$(DEFINITIONS)) DEFINITIONS_HTML_EXT = .html endif EXT_SCHEMAS_ARGS := $(foreach schema,$(EXT_SCHEMAS),--schema $(schema)) DEF_INDEXES_HTML = schemas/output/defs/index.html DEF_INDEXES_MD = schemas/output/defs/index.md RELEASES_INDEXES_HTML = schemas/output/releases/latest/index.html RELEASES_INDEXES_MD = schemas/output/releases/latest/index.md OPTIMADE_VERSION := $(shell awk 'NR==2 && /OPTIMADE API specification/ { sub(/~develop/, "", $$NF); print $$NF; exit }' optimade.rst) ifeq ($(OPTIMADE_VERSION),) OPTIMADE_VERSION_MINOR := OPTIMADE_VERSION_SUBST := else OPTIMADE_VERSION_MINOR := "$(basename $(OPTIMADE_VERSION))" OPTIMADE_VERSION_SUBST := --sub '$$$${OPTIMADE_VERSION}' "$(OPTIMADE_VERSION)" endif .PHONY: submodule-optimade-property-tools submodule-optimade-property-tools: @if [ ! -e "dependencies/submodules/optimade-property-tools/bin/process_schemas" ] ; then \ echo "*************************************************************************************************************************"; \ echo "ERROR: The optimade-property-tools submodule is required to build the OPTIMADE schemas. Please run the following command:"; \ echo "git submodule update --init dependencies/submodules/optimade-property-tools"; \ echo "*************************************************************************************************************************"; \ false; \ elif git submodule status dependencies/submodules/optimade-property-tools | egrep -q '^[-+]' ; then \ echo "********************************************************************************************************"; \ echo "NOTE: The optimade-property-tools submodule is not in a clean state, if this is unintentional, consider:"; \ echo "git submodule update --init dependencies/submodules/optimade-property-tools"; \ echo "********************************************************************************************************"; \ fi .PHONY: schemas schemas_meta schemas_json schemas_docs schemas_html schemas_symlinks schema_releases schemas_indexes_docs schemas_release_indexes_docs schemas: submodule-optimade-property-tools schemas_build schemas_releases schemas_release_indexes_docs schemas_build: schemas_symlinks schemas_meta schemas_defs_json schemas_defs_docs schemas_defs_html schemas_other_json schemas_indexes_docs schemas_meta: $(META_SCHEMAS_JSON) schemas_defs_json: $(DEFINITIONS_JSON) schemas_meta schemas_defs_docs: $(DEFINITIONS_MD) schemas_meta schemas_defs_html: $(DEFINITIONS_HTML) schemas_meta schemas_other_json: $(OTHER_SCHEMAS_JSON) schemas_defs_json schemas_indexes_docs: $(DEF_INDEXES_HTML) $(DEF_INDEXES_MD) schemas_meta schemas_release_indexes_docs: $(RELEASES_INDEXES_HTML) $(RELEASES_INDEXES_MD) schemas_meta # The 'schemas_symlinks' rule is run before schema builds to try to maintain a structure under '/output' that helps # handling multiple parallel versions of schema definitions. Normally a build would go into a minor version directory (e.g., 'v1.2') # since the source files have to be organized that way for versioned $$inherit to work. The 'schemas_symlinks' rule # symlinks a full version directory (e.g., v1.2.0) to the corresponding minor version directory where the build then goes. # The result is an 'output' that allows a straightforward: # # rsync -a output/ /path/to/arhive/of/versions/ # # to do the right thing, where previously generated historical versions remains maintained correctly under '/path/to/arhive/of/versions/' # # Note: output/defs is deliberatly not handled by this rule since updated property defintions with the same ids are meant to replace # older versions in the /defs/ directories. schemas_symlinks: mkdir -p schemas/output/; \ cd schemas/output/; \ for KIND in meta json-schema json-ld releases; do \ if [ ! -e "$$KIND" ]; then \ mkdir -p "$$KIND" ;\ fi ;\ if [ -n "$(OPTIMADE_VERSION)" ]; then \ if [ ! -e "$$KIND/$(OPTIMADE_VERSION)" ]; then \ mkdir "$$KIND/$(OPTIMADE_VERSION)" ;\ fi ;\ if [ ! -e "$$KIND/$(OPTIMADE_VERSION_MINOR)" -o -h "$$KIND/$(OPTIMADE_VERSION_MINOR)" ]; then \ ln -nsf "$(OPTIMADE_VERSION)" "$$KIND/$(OPTIMADE_VERSION_MINOR)" ;\ fi ;\ if [ ! -e "$$KIND/latest" -o -h "$$KIND/latest" ]; then \ ln -nsf "$(OPTIMADE_VERSION_MINOR)" "$$KIND/latest" ;\ fi ;\ fi \ done # The releases directory aggregates this releases versions of all property definitions and is thus # how one finds the definition file that was part of a specific relase. schemas_releases: schemas_build mkdir -p schemas/output/releases/latest cd schemas/output/defs; \ find . -type f -exec cp --parents \{\} ../releases/latest \; # Old version that keeps only the latest version of all definitions. We may want to go back to this in the future # if these historical definition archives gets too large. #schemas_releases: schemas_build # mkdir -p schemas/output/releases/latest # cd schemas/output/defs; \ # for DIR in $$(ls -vrd v*); do \ # ( cd "$$DIR"; \ # find . -type f -exec cp --parents \{\} ../../releases/latest \; ;\ # ) \ # done # Meta schemas need a separate rule since the other rules depend on the meta schemas for validation (and the meta schemas cannot depend on themselves) $(META_SCHEMAS_JSON): schemas/output/meta/%.json: schemas/src/meta/%.yaml | schemas_symlinks mkdir -p "$(dir $@)" $(PROCESS_SCHEMAS) --remove-null $(OPTIMADE_VERSION_SUBST) --basedir "$(BASEDIR_META)" --baseid "$(BASEID_META)" $(EXT_SCHEMAS_ARGS) --output "$@" "$<" $(DEFINITIONS_JSON) $(OTHER_SCHEMAS_JSON): schemas/output/%.json: schemas/src/%.yaml $(META_SCHEMAS_JSON) | schemas_symlinks mkdir -p "$(dir $@)" $(PROCESS_SCHEMAS) --remove-null $(OPTIMADE_VERSION_SUBST) --basedir "$(BASEDIR)" --baseid "$(BASEID)" $(META_SCHEMAS_ARGS) $(EXT_SCHEMAS_ARGS) --output "$@" "$<" $(DEFINITIONS_MD): schemas/output/%.md: schemas/src/%.yaml $(META_SCHEMAS_JSON) | schemas_symlinks mkdir -p "$(dir $@)" $(PROCESS_SCHEMAS) --remove-null -f md $(OPTIMADE_VERSION_SUBST) --basedir "$(BASEDIR)" --baseid "$(BASEID)" --output "$@" "$<" $(DEFINITIONS_HTML): schemas/output/%$(DEFINITIONS_HTML_EXT): schemas/src/%.yaml $(META_SCHEMAS_JSON) | schemas_symlinks mkdir -p "$(dir $@)" $(PROCESS_SCHEMAS) --remove-null -f html $(OPTIMADE_VERSION_SUBST) --basedir "$(BASEDIR)" --baseid "$(BASEID)" --html-header '$(OPTIMADE_HTML_HEADER)' --html-top '$(OPTIMADE_HTML_TOP)' --output "$@" "$<" $(DEF_INDEXES_MD): schemas/output/%/index.md: schemas/src/% $(META_SCHEMAS_JSON) | schemas_symlinks mkdir -p "$(dir $@)" $(PROCESS_SCHEMAS) --index --basedir "$(BASEDIR)" --baseid "$(BASEID)" -f md $(EXT_SCHEMAS_ARGS) --output "$@" "$<" $(RELEASES_INDEXES_MD): schemas/output/%/index.md: schemas/output/% $(META_SCHEMAS_JSON) | schemas_symlinks schemas_releases mkdir -p "$(dir $@)" $(PROCESS_SCHEMAS) --index --basedir "$(BASEDIR)" --baseid "$(BASEID)" -f md $(EXT_SCHEMAS_ARGS) --output "$@" "$<" $(DEF_INDEXES_HTML): schemas/output/%/index.html: schemas/src/% $(META_SCHEMAS_JSON) | schemas_symlinks mkdir -p "$(dir $@)" $(PROCESS_SCHEMAS) --index --basedir "$(BASEDIR)" --baseid "$(BASEID)" -f html --html-header '$(OPTIMADE_HTML_HEADER)' --html-top '$(OPTIMADE_HTML_TOP)' $(EXT_SCHEMAS_ARGS) --output "$@" "$<" $(RELEASES_INDEXES_HTML): schemas/output/%/index.html: schemas/output/% $(META_SCHEMAS_JSON) | schemas_symlinks schemas_releases mkdir -p "$(dir $@)" $(PROCESS_SCHEMAS) --index --basedir "$(BASEDIR)" --baseid "$(BASEID)" -f html --html-header '$(OPTIMADE_HTML_HEADER)' --html-top '$(OPTIMADE_HTML_TOP)' $(EXT_SCHEMAS_ARGS) --output "$@" "$<" .PHONY: clean clean_schemas clean: clean_schemas clean_schemas: rm -rf schemas/output .PHONY: validate_schemas validate_meta_schemas: schemas tests/scripts/validate_json_schema.py schemas/output/meta/latest/optimade/property_definition.json dependencies/submodules/optimade-property-tools/external/json-schema/schema tests/scripts/validate_json_schema.py schemas/output/meta/latest/optimade/physical_unit_definition.json dependencies/submodules/optimade-property-tools/external/json-schema/schema validate_schemas: schemas validate_meta_schemas tests/scripts/validate_json_schema.py schemas/tests/example-structures.optimade schemas/output/json-schema/latest/optimade.json .PHONY: check_schemas_variables schemas_check_variables: @echo "DEFINITIONS = $(DEFINITIONS)" @echo "DEFINITIONS_JSON = $(DEFINITIONS_JSON)" @echo "DEFINITIONS_HTML = $(DEFINITIONS_HTML)" @echo "" @echo "OTHER_SCHEMAS = $(OTHER_SCHEMAS)" @echo "OTHER_SCHEMAS_JSON = $(OTHER_SCHEMAS_JSON)" @echo "" @echo "META_SCHEMAS = $(META_SCHEMAS)" @echo "META_SCHEMAS_JSON = $(META_SCHEMAS_JSON)" @echo "META_SCHEMAS_ARGS = $(META_SCHEMAS_ARGS)" @echo "" @echo "OPTIMADE_VERSION = $(OPTIMADE_VERSION)" @echo "OPTIMADE_VERSION_SUBST = $(OPTIMADE_VERSION_SUBST)" @echo "" @echo "INDEXES_HTML = $(INDEXES_HTML)" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/0000775000200400020040000000000015112031047024475 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/length4_fail.filter0000644000200400020040000000002515112031047030237 0ustar andriusandriuselements LENGTH IS 42OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/setzip_fail.filter0000644000200400020040000000002315112031047030206 0ustar andriusandriuselements HAS "H":6 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/n01.txt0000644000200400020040000000000415112031047025624 0ustar andriusandrius3456OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/length_fail.filter0000644000200400020040000000002215112031047030150 0ustar andriusandriusLENGTH elements 42OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/set.filter0000644000200400020040000000026615112031047026501 0ustar andriusandriuselements HAS "H" AND elements HAS ALL "H","He","Ga","Ta" AND elements HAS ONLY "H","He","Ga","Ta" AND elements HAS ANY "H", "He", "Ga", "Ta" AND elements HAS ONLY "H","He","Ga","Ta" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/f05.filter0000644000200400020040000000000415112031047026266 0ustar andriusandriusa=1 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/f09.filter0000644000200400020040000000007115112031047026276 0ustar andriusandriusaax <= +.1e8 OR c21 >= 10 AND NOT ( x != "Some string" ) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/f14.filter0000644000200400020040000000003215112031047026267 0ustar andriusandrius((NOT (a>b)) AND ((x>0))) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/length.filter0000644000200400020040000000022515112031047027162 0ustar andriusandriuselements LENGTH = 42 AND elements LENGTH > 42 AND elements LENGTH < 42 AND elements LENGTH != 42 AND elements LENGTH >= 42 AND elements LENGTH <= 42 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/set6.filter0000644000200400020040000000015215112031047026561 0ustar andriusandriuselements:_exmpl_element_counts:_exmpl_element_weights HAS ANY > 3:"He":>55.3 , = 6:>"Ti":<37.6 , 8:<"Ga":0OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/set4.filter0000644000200400020040000000040315112031047026556 0ustar andriusandriuselements:_exmpl_element_counts HAS "H":6 AND elements:_exmpl_element_counts HAS ALL "H":6,"He":7 AND elements:_exmpl_element_counts HAS ONLY "H":6 AND elements:_exmpl_element_counts HAS ANY "H":6,"He":7 AND elements:_exmpl_element_counts HAS ONLY "H":6,"He":7OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/f06.filter0000644000200400020040000000005215112031047026272 0ustar andriusandriusb="kva" AND (10 ) ) 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z-1/2,-y-1/4,-x-3/4 z-1/2,-y-3/4,-x-1/4 z-1/2,-y-3/4,-x-3/4 z-1/2,x,-y+1/2 z-1/2,x,-y-1/2 z-1/2,x-1/2,-y z-1/2,y+1/2,x+1/2 z-1/2,y,x z-1/2,y,x+1/2 z-1/2,y-1/2,x z-1/2,y-1/2,x-1/2 z-1/4,-x+1/2,y+1/4 z-1/4,-x+1/2,y-3/4 z-1/4,-x+1/4,y-1/4 z-1/4,-x+3/4,y+1/4 z-1/4,-x,y-1/4 z-1/4,-x-1/2,y+1/4 z-1/4,-x-1/2,y-3/4 z-1/4,-x-1/4,y+1/4 z-1/4,-y+1/2,x+1/4 z-1/4,-y+1/4,-x-1/4 z-1/4,-y+1/4,x-1/4 z-1/4,-y,x+1/4 z-1/4,-y,x-1/4 z-1/4,-y-1/2,x-1/4 z-1/4,-y-1/4,x+1/4 z-1/4,-y-1/4,x-3/4 z-1/4,-y-3/4,-x-1/4 z-1/4,x+1/4,-y+1/2 z-1/4,x+1/4,-y+3/4 z-1/4,x+1/4,-y-1/2 z-1/4,x+1/4,-y-1/4 z-1/4,x-1/4,-y z-1/4,x-1/4,-y+1/4 z-1/4,x-3/4,-y-1/2 z-1/4,y+1/4,-x+1/2 z-1/4,y+1/4,-x+1/4 z-1/4,y+1/4,-x-1/4 z-1/4,y-1/4,-x z-1/4,y-1/4,-x+1/4 z-1/4,y-1/4,x-1/4 z-1/4,y-3/4,-x-3/4 z-3/4,-x+1/2,y-1/4 z-3/4,-x,y+1/4 z-3/4,-x,y-3/4 z-3/4,-x-1/2,y-1/4 z-3/4,-y-1/4,-x-3/4 z-3/4,-y-3/4,x-1/4 z-3/4,x+1/4,-y z-3/4,x-1/4,-y-1/2 z-3/4,y-3/4,x-3/4 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/strings4.filter0000644000200400020040000000010215112031047027450 0ustar andriusandriusprototype_formula STARTS "B2" AND prototype_formula ENDS WITH "D2"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/numeric3.filter0000644000200400020040000000006615112031047027431 0ustar andriusandrius_exmpl_bandgap > 5.0 AND _exmpl_molecular_weight < 350OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/val_to_val.filter0000644000200400020040000000005215112031047030025 0ustar andriusandrius((NOT (_exmpl_a>_exmpl_b)) AND _exmpl_x>0)OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/value.filter0000644000200400020040000000016015112031047027013 0ustar andriusandriusnelements = 42 AND nelements > 42 AND nelements < 42 AND nelements != 42 AND nelements >= 42 AND nelements <= 42OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/f01.filter0000644000200400020040000000003315112031047026264 0ustar andriusandriusa > b AND (a > 0 OR b > 0) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/fuzzystring_fail.filter0000644000200400020040000000004615112031047031313 0ustar andriusandriuschemical_formula CONTAINS STARTS "Al" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/f04.filter0000644000200400020040000000010515112031047026267 0ustar andriusandriusaax <= +.1e8 OR c21 >= 10 AND NOT ( x != "Some string" OR NOT a = b) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/f13.filter0000644000200400020040000000002015112031047026263 0ustar andriusandriusNOT a>b AND x>0 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/length2_fail.filter0000644000200400020040000000001715112031047030236 0ustar andriusandriuselements LENGTHOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/precedence2.filter0000644000200400020040000000003515112031047030057 0ustar andriusandriusa >= 0 AND NOT b < c OR c = 0OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/set_fail.filter0000644000200400020040000000002715112031047027467 0ustar andriusandriuselements HAS "H", "He" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/clauses_fail.filter0000644000200400020040000000006415112031047030334 0ustar andriusandriuschemical_formula = "Al" and prototype_formula = "A" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/setzip3_fail.filter0000644000200400020040000000005415112031047030275 0ustar andriusandriuselements:element_counts HAS IS 'H':6,'He':7 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/numeric_and_strings.filter0000644000200400020040000000014015112031047031732 0ustar andriusandrius_exmpl_aax <= +.1e8 OR nelements >= 10 AND NOT ( _exmpl_x != "Some string" OR NOT _exmpl_a = 7) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/numbers.lst0000644000200400020040000000105415112031047026672 0ustar andriusandrius-1.23e12 -1.23E12 -.23e12 -.23E12 -111 -12 -11.1 -1e1 -1E1 -1.23 -1 -1. -.1e1 -.1E1 -.23 -.1 -1.23e-12 -1.23E-12 -.23e-12 -.23E-12 -.0 .0 +.0 0.23e-12 0.23E-12 .23e-12 +.23e-12 .23E-12 +.23E-12 1.e-12 1.E-12 +1.23e-12 +1.23E-12 .123 0.23 .23 +.23 1 +1 1. .1e1 .1E1 1.1 1.2 +1.23 1.23 1.234 2 +2.2 3 4 5 6 1e1 +1.e1 1.e1 1E1 +1.E1 1.E1 11.1 12 21 23 +.23e2 +.23E2 33 111 +111 113 123 2.34e4 2.34E4 +10000000 +10000000. 0.23e12 0.23E12 .23e12 .23E12 1.e12 1.E12 1.1e12 1.1E12 +1.23e12 +1.23E12 1.234e12 1.234E12 1000000000.e1000000000 1000000000.E1000000000 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/filter.txt0000644000200400020040000000010415112031047026514 0ustar andriusandriusaax <= +.1e8 OR c21 >= 10 AND NOT ( x != "Some string" OR NOT a = b)OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/val_to_id.filter0000644000200400020040000000001415112031047027635 0ustar andriusandrius5 < _exmpl_aOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/types.filter0000644000200400020040000000004015112031047027040 0ustar andriusandrius_exmpl_some_string_property = 42OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/setzip.filter0000644000200400020040000000034015112031047027215 0ustar andriusandriuselements:element_counts HAS "H":6 AND elements:element_counts HAS ALL "H":6,"He":7 AND elements:element_counts HAS ONLY "H":6 AND elements:element_counts HAS ANY "H":6,"He":7 AND elements:element_counts HAS ONLY "H":6,"He":7OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/filters.lst0000644000200400020040000000130415112031047026665 0ustar andriusandriusfilter='a > b AND (a > 0 OR b > 0)' filter='filter=(NOT a>b AND x>0)' filter='NOT (a>b) AND x>0'' filter='aax <= +.1e8 OR c21 >= 10 AND NOT ( x != "Some string" OR NOT a = b)' filter=a=1 filter='b="kva" AND (10 ) )' filter='aax <= +.1e8 OR c21 >= "Sąžininga žąsis" AND NOT ( x != "Some \\ \"string\"" )' filter='((NOT (a>b)) AND x>0)' filter='aax <= +.1e8 OR c21 >= 10 AND NOT ( x != "Some string" )' filter='aax <= +.1e8 OR c21 >= 10 AND NOT f = y OR NOT a >= b OR x = t OR ( NOT x != "Some string" OR a = b AND x > v AND NOT v < w)' filter='((NOT (a>b)) AND NOT ((x>0)))' filter='a>1 AND (b<10 OR c!=b OR x>100)' filter='filter=NOT a>b AND x>0' filter='((NOT (a>b)) AND ((x>0)))' OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/precedence.filter0000644000200400020040000000004415112031047027775 0ustar andriusandriusNOT a > b OR c = 100 AND f = "C2 H6"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/integers.lst0000644000200400020040000000002115112031047027030 0ustar andriusandrius3456 -3456 +3456 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/value_fail.filter0000644000200400020040000000020615112031047030007 0ustar andriusandriusnelements = 42 AND nelements > 42 AND nelements < 42 AND nelements != 42 AND nelements >= 42 AND nelements <= 42 AND nelements <> 42 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/strings_fail.filter0000644000200400020040000000003015112031047030357 0ustar andriusandriuschemical_formula = '42' OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/f06_fail.filter0000644000200400020040000000005215112031047027265 0ustar andriusandriusb="kva" AND (10 ) ) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/not-identifiers.lst0000644000200400020040000000004115112031047030315 0ustar andriusandriusNOT An __Identifier__ 3334 34E+1 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/boolean.filter0000644000200400020040000000017015112031047027317 0ustar andriusandriusNOT ( chemical_formula = "Al" AND prototype_formula = "A" OR prototype_formula = "H2O" AND NOT chemical_formula = "Ti" )OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/setzip-spaces.filter0000644000200400020040000000037115112031047030475 0ustar andriusandriuselements :element_counts HAS "H": 6 AND elements : element_counts HAS ALL "H" : 6,"He": 7 AND elements: element_counts HAS ONLY "H" :6 AND elements:element_counts HAS ANY "H" : 6,"He" : 7 AND elements : element_counts HAS ONLY "H" :6,"He": 7 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/id_to_id-some-other-spaces.filter0000644000200400020040000000005515112031047033010 0ustar andriusandrius((NOT(_exmpl_a > _exmpl_b) )AND_exmpl_x> 0 ) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/setzip2_fail.filter0000644000200400020040000000005315112031047030273 0ustar andriusandriuselements:elements:element_counts HAS "H":6 ././@LongLink0000644000000000000000000000015600000000000011605 Lustar rootrootOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/fuzzystring-leading-trailing-spaces.filterOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/fuzzystring-leading-trailing-spac0000644000200400020040000000015515112031047033171 0ustar andriusandrius chemical_formula CONTAINS "Al" AND chemical_formula STARTS "Al" AND chemical_formula ENDS "Al" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/length3.filter0000644000200400020040000000002215112031047027240 0ustar andriusandriuselements LENGTH 42OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/clauses2_fail.filter0000644000200400020040000000006615112031047030420 0ustar andriusandriuschemical_formula = "Al" AND OR prototype_formula = "A"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/set5.filter0000644000200400020040000000012215112031047026555 0ustar andriusandrius_exmpl_element_counts HAS < 3 AND _exmpl_element_counts HAS ANY > 3, = 6, 4, != 8 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/string.filter0000644000200400020040000000006615112031047027212 0ustar andriusandriuschemical_formula = "H2O" AND prototype_formula != "AB"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/set2.filter0000644000200400020040000000016615112031047026562 0ustar andriusandriuselements HAS "H" AND elements HAS ALL "H" AND elements HAS ONLY "H" AND elements HAS ANY "H" AND elements HAS ONLY "H"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/f08.filter0000644000200400020040000000002615112031047026275 0ustar andriusandrius((NOT (a>b)) AND x>0) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/various-whitespace.filter.log0000644000200400020040000000102215112031047032277 0ustar andriusandrius+ directory-metadata + whoami saulius + hostname -f varanas.saulius-grazulis.lt + pwd /home/saulius/src/sauliusg-optimade/tests/inputs + svn info svn: E155007: '/home/saulius/src/sauliusg-optimade/tests/inputs' is not a working copy + df -h . Filesystem Size Used Avail Use% Mounted on /dev/sda2 455G 359G 73G 84% / + type osname osname is /home/saulius/scripts/osname + osname LinuxMint-18.1 + uname -m x86_64 + date Thu Jun 13 18:55:31 EEST 2019 + perl -e 'print "\x0B\f\t\tNOTa\n\n \t > \n\r ___beta___\n\n"' OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/strings2.filter0000644000200400020040000000002515112031047027452 0ustar andriusandriuschemical_formula = 42OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/fuzzystring.filter0000644000200400020040000000013715112031047030321 0ustar andriusandriuschemical_formula CONTAINS "Al" AND chemical_formula STARTS "Al" AND chemical_formula ENDS "Al" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/reals.lst0000644000200400020040000000060715112031047026330 0ustar andriusandrius-0.314159E01 +0.314159E01 0.314159E01 -0.314159E1 -0.314159E+1 +0.314159E1 +0.314159E+1 0.314159E1 0.314159E+1 -3.14159 +3.14159 3.14159 +314159.E-00005 +314159E-00005 -.314159E01 -31.4159E-01 .314159E01 +.314159E01 +31.4159E-01 31.4159E-01 +314159.E-05 +314159E-05 -.314159E1 -.314159E+1 -31.4159E-1 .314159E1 .314159E+1 +.314159E1 +.314159E+1 +31.4159E-1 31.4159E-1 +314159.E-5 +314159E-5 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/set2_fail.filter0000644000200400020040000000002315112031047027545 0ustar andriusandriuselements HAS IS "H"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/numeric_and_strings2.filter0000644000200400020040000000007515112031047032023 0ustar andriusandrius_exmpl_melting_point<300 AND nelements=4 AND elements="Si,O2"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/clauses3_fail.filter0000644000200400020040000000003615112031047030416 0ustar andriusandrius( ( chemical_formula = "Al" ) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/not-numbers.lst0000644000200400020040000000036115112031047027470 0ustar andriusandrius++1.23E-12(3) --11.1 11.1A 1A.X 1.23E+++ 1,123(23) 1...0 .123.E12 1.234E12(1.2) 1.234D12((12))) 1.234D12((12)) 1.234D12(+-12) +++ --- . ... + +1E +1EE1 --1E1 -1-E1 1.1E12(-1) ? AAA (12) -. +. .E1 -.E1 +.E2 -.1E(1) +2.2E(2) '1.1' "2.34E4(3)" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/known_fail.filter0000644000200400020040000000002715112031047030030 0ustar andriusandriuschemical_formula KNOWN OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/id_to_id-no-spaces.filter0000644000200400020040000000004715112031047031343 0ustar andriusandrius((NOT(_exmpl_a>_exmpl_b))AND_exmpl_x>0)OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/f11.filter0000644000200400020040000000003615112031047026270 0ustar andriusandrius((NOT (a>b)) AND NOT ((x>0))) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/strings3.filter0000644000200400020040000000010615112031047027453 0ustar andriusandriusprototype_formula CONTAINS "C2" AND prototype_formula STARTS WITH "A2"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/identifiers.lst0000644000200400020040000000006415112031047027524 0ustar andriusandriusident _ident_ id234 id_id name_1234 __cell_length__ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/n02.txt0000644000200400020040000000001015112031047025622 0ustar andriusandrius+.1E-123OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/id_to_id.filter0000644000200400020040000000005215112031047027451 0ustar andriusandrius((NOT (_exmpl_a>_exmpl_b)) AND _exmpl_x>0)OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/numeric.filter0000644000200400020040000000001515112031047027340 0ustar andriusandriusnelements > 3OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/clauses.filter0000644000200400020040000000035615112031047027345 0ustar andriusandriusNOT ( chemical_formula = "Al" AND prototype_formula = "A" OR prototype_formula = "Al" AND NOT chemical_formula = "Ti" ) AND ( prototype_formula = "Ga" AND chemical_formula = "Ti" OR ( chemical_formula = "Na" AND chemical_formula = "Ti") )OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/known.filter0000644000200400020040000000007315112031047027036 0ustar andriusandriuschemical_formula IS KNOWN AND prototype_formula IS UNKNOWN OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/fuzzystring-no-spaces.filter0000644000200400020040000000012515112031047032204 0ustar andriusandriuschemical_formulaCONTAINS"Al"ANDchemical_formulaSTARTS"Al"ANDchemical_formulaENDS"Al" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/fuzzystring2_fail.filter0000644000200400020040000000003515112031047031373 0ustar andriusandriuschemical_formula CONTAINS 42 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/set3.filter0000644000200400020040000000021415112031047026555 0ustar andriusandriuselements HAS "H" AND elements HAS ALL "H","He","Ga","Ta" AND elements HAS ONLY "H","He","Ga","Ta" AND elements HAS ANY "H", "He", "Ga", "Ta"OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/numeric2.filter0000644000200400020040000000003015112031047027417 0ustar andriusandrius_exmpl_cell_volume<100.0OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/f12.filter0000644000200400020040000000004015112031047026264 0ustar andriusandriusa>1 AND (b<10 OR c!=b OR x>100) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/f10.filter0000644000200400020040000000017515112031047026273 0ustar andriusandriusaax <= +.1e8 OR c21 >= 10 AND NOT f = y OR NOT a >= b OR x = t OR ( NOT x != "Some string" OR a = b AND x > v AND NOT v < w) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/inputs/f07.filter0000644000200400020040000000012315112031047026272 0ustar andriusandriusaax <= +.1e8 OR c21 >= "Sąžininga žąsis" AND NOT ( x != "Some \\ \"string\"" ) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/0000775000200400020040000000000015112031047024676 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/ere_numbers_001.out0000644000200400020040000000105415112031047030313 0ustar andriusandrius-1.23e12 -1.23E12 -.23e12 -.23E12 -111 -12 -11.1 -1e1 -1E1 -1.23 -1 -1. -.1e1 -.1E1 -.23 -.1 -1.23e-12 -1.23E-12 -.23e-12 -.23E-12 -.0 .0 +.0 0.23e-12 0.23E-12 .23e-12 +.23e-12 .23E-12 +.23E-12 1.e-12 1.E-12 +1.23e-12 +1.23E-12 .123 0.23 .23 +.23 1 +1 1. .1e1 .1E1 1.1 1.2 +1.23 1.23 1.234 2 +2.2 3 4 5 6 1e1 +1.e1 1.e1 1E1 +1.E1 1.E1 11.1 12 21 23 +.23e2 +.23E2 33 111 +111 113 123 2.34e4 2.34E4 +10000000 +10000000. 0.23e12 0.23E12 .23e12 .23E12 1.e12 1.E12 1.1e12 1.1E12 +1.23e12 +1.23E12 1.234e12 1.234E12 1000000000.e1000000000 1000000000.E1000000000 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/ere_numbers_003.out0000644000200400020040000000060715112031047030320 0ustar andriusandrius-0.314159E01 +0.314159E01 0.314159E01 -0.314159E1 -0.314159E+1 +0.314159E1 +0.314159E+1 0.314159E1 0.314159E+1 -3.14159 +3.14159 3.14159 +314159.E-00005 +314159E-00005 -.314159E01 -31.4159E-01 .314159E01 +.314159E01 +31.4159E-01 31.4159E-01 +314159.E-05 +314159E-05 -.314159E1 -.314159E+1 -31.4159E-1 .314159E1 .314159E+1 +.314159E1 +.314159E+1 +31.4159E-1 31.4159E-1 +314159.E-5 +314159E-5 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Number_001.out0000644000200400020040000000046115112031047027236 0ustar andriusandriusParse tree from tests/cases/Number_001.inp: Number(9999) Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 1 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 2 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 3 Digit(9999) TOKEN_10(9999): "6", line: 1, col: 4 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_070.out0000644000200400020040000001453415112031047027247 0ustar andriusandriusParse tree from tests/cases/Filter_070.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 1 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 2 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 3 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 4 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 5 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 6 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 7 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 8 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 9 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 10 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 11 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 12 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 13 Dot(9999) TOKEN_14(9999): ".", line: 1, col: 14 Identifier(9999) LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 15 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 16 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 17 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 18 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 19 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 20 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 21 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 22 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 23 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 24 Dot(9999) TOKEN_14(9999): ".", line: 1, col: 25 Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 26 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 27 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 28 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 29 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 30 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 31 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 32 Dot(9999) TOKEN_14(9999): ".", line: 1, col: 33 Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 34 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 35 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 36 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 37 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 38 FuzzyStringOpRhs(9999) CONTAINS(9999) TOKEN_39(9999): "CONTAINS", line: 1, col: 39 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 47 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 48 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_40(9999): "D", line: 1, col: 49 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 50 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_91(9999): "j", line: 1, col: 51 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_92(9999): "k", line: 1, col: 52 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 53 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 54 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 55 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 56 TOKEN_3(9999): """, line: 1, col: 57 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 58 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/ere_numbers_002.out0000644000200400020040000000002115112031047030305 0ustar andriusandrius3456 -3456 +3456 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/ere_identifiers_001.out0000644000200400020040000000006415112031047031145 0ustar andriusandriusident _ident_ id234 id_id name_1234 __cell_length__ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_067.out0000644000200400020040000001443715112031047027257 0ustar andriusandriusParse tree from tests/cases/Filter_067.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 1 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 2 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 3 OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 6 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 7 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 8 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 9 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 10 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 11 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 12 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 13 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 15 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 18 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 19 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 20 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 21 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 22 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 23 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 24 LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 25 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 26 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 27 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 28 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 29 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 32 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 33 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 34 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 35 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 36 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 37 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 38 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 39 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 40 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 41 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 42 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 43 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 44 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 45 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_068.out0000644000200400020040000007707215112031047027264 0ustar andriusandriusParse tree from tests/cases/Filter_068.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 10 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 11 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 12 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 13 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 14 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 15 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 16 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 17 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 18 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 19 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 20 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 21 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 22 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 23 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 24 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 25 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 26 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 29 ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 30 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 31 TOKEN_3(9999): """, line: 1, col: 32 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 33 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 35 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 36 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 37 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 40 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 41 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 42 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 43 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 44 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 45 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 46 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 47 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 48 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 49 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 50 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 51 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 52 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 53 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 54 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 55 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 56 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 57 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 58 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 59 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 60 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 61 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 62 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 63 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 64 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 65 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 66 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 67 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 70 ALL(9999) TOKEN_34(9999): "ALL", line: 1, col: 71 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 74 ValueZipList(9999) ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 75 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 76 TOKEN_3(9999): """, line: 1, col: 77 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 78 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 79 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 80 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 81 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 82 ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 83 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 84 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col: 99 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 100 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 101 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 102 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 103 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 104 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 105 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 106 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 107 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 108 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 109 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 110 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 111 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 112 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 113 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 114 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 115 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 116 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 117 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 118 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 119 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 120 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 123 ONLY(9999) TOKEN_59(9999): "ONLY", line: 1, col: 124 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 128 ValueZipList(9999) ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 129 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 130 TOKEN_3(9999): """, line: 1, col: 131 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 132 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 133 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 134 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 135 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 136 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 139 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 140 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 141 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 142 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 143 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 144 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 145 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 146 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 147 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 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z-1/4,y-1/4,-x z-1/4,y-1/4,-x+1/4 z-1/4,y-1/4,x-1/4 z-1/4,y-3/4,-x-3/4 z-3/4,-x+1/2,y-1/4 z-3/4,-x,y+1/4 z-3/4,-x,y-3/4 z-3/4,-x-1/2,y-1/4 z-3/4,-y-1/4,-x-3/4 z-3/4,-y-3/4,x-1/4 z-3/4,x+1/4,-y z-3/4,x-1/4,-y-1/2 z-3/4,y-3/4,x-3/4 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_049.out0000644000200400020040000001362715112031047027257 0ustar andriusandriusParse tree from tests/cases/Filter_049.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 1 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 2 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 5 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 6 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 7 LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 8 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 9 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 10 LowercaseLetter(9999) TOKEN_85(9999): "d", line: 1, col: 11 LowercaseLetter(9999) TOKEN_88(9999): "g", line: 1, col: 12 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 13 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 15 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_21(9999): "5", line: 1, col: 18 TOKEN_14(9999): ".", line: 1, col: 19 Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 20 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 21 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 22 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 25 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 26 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 27 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 28 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 29 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 30 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 31 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 32 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 33 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 34 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 35 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 36 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 37 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 38 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 39 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 40 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 41 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 42 LowercaseLetter(9999) TOKEN_104(9999): "w", line: 1, col: 43 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 44 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 45 LowercaseLetter(9999) TOKEN_88(9999): "g", line: 1, col: 46 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 47 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 48 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 49 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 50 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 51 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_19(9999): "3", line: 1, col: 52 Digit(9999) TOKEN_21(9999): "5", line: 1, col: 53 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 54 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/ere_numbers_005.out0000644000200400020040000000036115112031047030317 0ustar andriusandrius++1.23E-12(3) --11.1 11.1A 1A.X 1.23E+++ 1,123(23) 1...0 .123.E12 1.234E12(1.2) 1.234D12((12))) 1.234D12((12)) 1.234D12(+-12) +++ --- . ... + +1E +1EE1 --1E1 -1-E1 1.1E12(-1) ? AAA (12) -. +. .E1 -.E1 +.E2 -.1E(1) +2.2E(2) '1.1' "2.34E4(3)" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_075.out0000644000200400020040000001572315112031047027255 0ustar andriusandriusParse tree from tests/cases/Filter_075.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 1 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 2 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 3 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 6 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 7 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 8 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 9 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 10 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 11 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 12 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 15 ALL(9999) TOKEN_34(9999): "ALL", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 19 ValueList(9999) ValueListEntry(9999) Value(9999) UnorderedConstant(9999) TRUE(9999) TOKEN_67(9999): "TRUE", line: 1, col: 20 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 24 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 25 ValueListEntry(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 26 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 27 Value(9999) UnorderedConstant(9999) TRUE(9999) TOKEN_67(9999): "TRUE", line: 1, col: 28 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 32 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 33 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 36 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 37 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 38 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 39 LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 40 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 41 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 42 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 43 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 44 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 45 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 46 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 47 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 48 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 49 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 50 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 51 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 52 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 53 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 56 ALL(9999) TOKEN_34(9999): "ALL", line: 1, col: 57 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 60 ValueZipList(9999) ValueZip(9999) ValueListEntry(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 61 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 62 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 63 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 64 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 65 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 66 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 67 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 68 ValueListEntry(9999) Value(9999) UnorderedConstant(9999) TRUE(9999) TOKEN_67(9999): "TRUE", line: 1, col: 69 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 73 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_055.out0000644000200400020040000007773215112031047027263 0ustar andriusandriusParse tree from tests/cases/Filter_055.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 9 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 10 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 11 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 16 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 17 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 18 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 19 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 20 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 21 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 22 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 23 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 24 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 25 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 26 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 27 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 28 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 29 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 30 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 31 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 32 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 35 ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 36 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 37 TOKEN_3(9999): """, line: 1, col: 38 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 39 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 40 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 41 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 42 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 45 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 46 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 47 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 48 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 49 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 50 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 51 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 52 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 53 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 54 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 55 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 56 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 57 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 58 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 59 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 60 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 61 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 62 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 63 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 64 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 65 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 66 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 67 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 68 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 69 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 70 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 71 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 72 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 73 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 74 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 75 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 76 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 77 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 80 ALL(9999) TOKEN_34(9999): "ALL", line: 1, col: 81 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 84 ValueZipList(9999) ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 85 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 86 TOKEN_3(9999): """, line: 1, col: 87 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 88 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 89 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 90 ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 91 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 92 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 93 TOKEN_3(9999): """, line: 1, col: 94 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 95 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_23(9999): "7", line: 1, col: 96 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 97 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 98 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 101 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 102 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 103 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 104 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 105 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 106 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 107 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 108 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 109 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 110 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 111 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 112 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 113 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 114 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 115 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 116 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 117 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 118 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 119 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 120 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 121 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 122 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 123 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 124 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 125 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 126 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 127 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 128 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 129 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 130 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 131 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 132 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 133 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 136 ONLY(9999) TOKEN_59(9999): "ONLY", line: 1, col: 137 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 141 ValueZipList(9999) ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 142 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 143 TOKEN_3(9999): """, line: 1, col: 144 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 145 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 146 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 147 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 148 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 151 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 152 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 153 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 154 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 155 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 156 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 157 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 158 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 159 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 160 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 161 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 162 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 163 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 164 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 165 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 166 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 167 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 168 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 169 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 170 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 171 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 172 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 173 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 174 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 175 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 176 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 177 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 178 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 179 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 180 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 181 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 182 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 183 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 186 ANY(9999) TOKEN_36(9999): "ANY", line: 1, col: 187 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 190 ValueZipList(9999) ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 191 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 192 TOKEN_3(9999): """, line: 1, col: 193 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 194 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 195 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 196 ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 197 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 198 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 199 TOKEN_3(9999): """, line: 1, col: 200 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 201 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_23(9999): "7", line: 1, col: 202 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 203 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 204 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 207 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 208 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 209 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 210 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 211 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 212 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 213 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 214 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 215 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 216 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 217 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 218 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 219 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 220 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 221 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 222 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 223 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 224 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 225 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 226 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 227 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 228 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 229 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 230 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 231 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 232 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 233 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 234 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 235 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 236 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 237 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 238 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 239 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 242 ONLY(9999) TOKEN_59(9999): "ONLY", line: 1, col: 243 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 247 ValueZipList(9999) ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 248 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 249 TOKEN_3(9999): """, line: 1, col: 250 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 251 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 252 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 253 ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 254 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 255 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 256 TOKEN_3(9999): """, line: 1, col: 257 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 258 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_23(9999): "7", line: 1, col: 259 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_071.out0000644000200400020040000000522515112031047027245 0ustar andriusandriusParse tree from tests/cases/Filter_071.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 1 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 2 Dot(9999) TOKEN_14(9999): ".", line: 1, col: 3 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 5 Dot(9999) TOKEN_14(9999): ".", line: 1, col: 6 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 7 Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 Dot(9999) TOKEN_14(9999): ".", line: 1, col: 10 Identifier(9999) LowercaseLetter(9999) TOKEN_85(9999): "d", line: 1, col: 11 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 12 Dot(9999) TOKEN_14(9999): ".", line: 1, col: 13 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 14 Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 15 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 16 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 17 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 18 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_21(9999): "5", line: 1, col: 19 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 20 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_021.out0000644000200400020040000002251315112031047027237 0ustar andriusandriusParse tree from tests/cases/Filter_021.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 1 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 5 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 6 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 7 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 8 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 9 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 10 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 11 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 FuzzyStringOpRhs(9999) CONTAINS(9999) TOKEN_39(9999): "CONTAINS", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 26 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 27 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 28 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 29 TOKEN_3(9999): """, line: 1, col: 30 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 31 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 32 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 35 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 36 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 37 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 38 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 39 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 40 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 41 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 42 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 43 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 44 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 45 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 46 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 47 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 48 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 49 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 50 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 51 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 52 FuzzyStringOpRhs(9999) STARTS(9999) TOKEN_65(9999): "STARTS", line: 1, col: 53 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 59 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 60 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 61 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 62 TOKEN_3(9999): """, line: 1, col: 63 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 64 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 65 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 68 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 69 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 70 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 71 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 72 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 73 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 74 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 75 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 76 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 77 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 78 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 79 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 80 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 81 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 82 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 83 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 84 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 85 FuzzyStringOpRhs(9999) ENDS(9999) TOKEN_42(9999): "ENDS", line: 1, col: 86 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 90 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 91 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 92 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 93 TOKEN_3(9999): """, line: 1, col: 94 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 95 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/ere_numbers_004.out0000644000200400020040000000000015112031047030304 0ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_018.out0000644000200400020040000007760015112031047027254 0ustar andriusandriusParse tree from tests/cases/Filter_018.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 1 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 5 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 6 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 7 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 8 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 9 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 10 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 11 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 12 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 13 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 14 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 15 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 16 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 17 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 18 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 19 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 20 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 21 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 22 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 23 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 24 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 25 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 26 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 27 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 28 TOKEN_3(9999): """, line: 1, col: 29 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 30 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 31 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 35 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 36 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 37 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 38 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 39 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 40 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 41 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 42 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 43 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 44 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 45 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 46 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 47 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 48 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 49 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 50 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 51 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 52 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 53 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 54 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 55 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 56 TOKEN_3(9999): """, line: 1, col: 57 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 58 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 59 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 61 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 62 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 63 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 64 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 65 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 66 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 67 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 68 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 69 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 70 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 71 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 72 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 73 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 74 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 75 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 76 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 77 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 78 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 79 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 80 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 81 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 82 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 83 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 84 TOKEN_3(9999): """, line: 1, col: 85 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 86 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 87 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 90 ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 91 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 94 Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 95 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 96 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 97 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 98 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 99 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 100 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 101 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 102 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 103 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 104 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 105 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 106 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 107 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 108 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 109 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 110 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 111 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 112 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 113 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 114 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_66(9999): "T", line: 1, col: 115 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 116 TOKEN_3(9999): """, line: 1, col: 117 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 118 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 119 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 120 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 121 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 124 ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 125 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 126 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 127 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 128 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 129 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 130 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 131 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 132 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 133 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 134 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 135 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 136 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 137 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 138 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 139 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 140 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 141 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 142 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 143 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 144 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 145 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 146 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 147 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_45(9999): "G", line: 1, col: 148 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 149 TOKEN_3(9999): """, line: 1, col: 150 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 151 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 152 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 155 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 156 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 157 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 158 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 159 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 160 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 161 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 162 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 163 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 164 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 165 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 166 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 167 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 168 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 169 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 170 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 171 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 172 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 173 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 174 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 175 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_66(9999): "T", line: 1, col: 176 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 177 TOKEN_3(9999): """, line: 1, col: 178 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 179 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 180 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 182 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 183 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 184 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 185 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 186 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 187 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 188 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 189 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 190 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 191 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 192 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 193 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 194 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 195 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 196 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 197 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 198 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 199 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 200 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 201 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 202 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 203 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 204 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_56(9999): "N", line: 1, col: 205 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 206 TOKEN_3(9999): """, line: 1, col: 207 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 208 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 209 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 212 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 213 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 214 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 215 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 216 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 217 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 218 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 219 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 220 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 221 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 222 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 223 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 224 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 225 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 226 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 227 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 228 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 229 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 230 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 231 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 232 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_66(9999): "T", line: 1, col: 233 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 234 TOKEN_3(9999): """, line: 1, col: 235 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 236 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 237 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 238 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_010.out0000644000200400020040000004537515112031047027250 0ustar andriusandriusParse tree from tests/cases/Filter_010.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 1 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 2 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 3 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 5 TOKEN_29(9999): "=", line: 1, col: 6 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 7 OrderedValue(9999) OrderedConstant(9999) Number(9999) Sign(9999) TOKEN_11(9999): "+", line: 1, col: 8 TOKEN_14(9999): ".", line: 1, col: 9 Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 10 Exponent(9999) TOKEN_86(9999): "e", line: 1, col: 11 Digits(9999) Digit(9999) TOKEN_24(9999): "8", line: 1, col: 12 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 16 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 17 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 18 Digit(9999) TOKEN_17(9999): "1", line: 1, col: 19 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 20 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 21 TOKEN_29(9999): "=", line: 1, col: 22 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 23 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 24 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 25 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 26 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 27 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 30 ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 31 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 35 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 36 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 37 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 38 Value(9999) OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 39 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 40 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 41 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 43 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 44 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 47 Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 48 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 49 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 50 TOKEN_29(9999): "=", line: 1, col: 51 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 52 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 53 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 54 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 55 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 57 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 58 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 59 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 60 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 61 Value(9999) OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 62 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 63 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 64 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 66 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 67 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 68 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 69 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 72 Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 73 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 74 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_2(9999): "!", line: 1, col: 75 TOKEN_29(9999): "=", line: 1, col: 76 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 77 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 78 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_64(9999): "S", line: 1, col: 79 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 80 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 81 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 82 EscapedChar(9999) UnescapedChar(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 83 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 84 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 85 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 86 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 87 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 88 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_88(9999): "g", line: 1, col: 89 TOKEN_3(9999): """, line: 1, col: 90 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 91 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 92 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 94 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 95 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 96 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 97 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 98 Value(9999) OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 99 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 100 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 101 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 104 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 105 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 106 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 107 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 108 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_103(9999): "v", line: 1, col: 109 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 110 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 111 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 114 ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 115 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 118 Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_103(9999): "v", line: 1, col: 119 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 120 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 121 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 122 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_104(9999): "w", line: 1, col: 123 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 124 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 125 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_052.out0000644000200400020040000001204415112031047027241 0ustar andriusandriusParse tree from tests/cases/Filter_052.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 1 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 5 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 6 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 7 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 8 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 9 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 10 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 11 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 15 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 18 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 19 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 20 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 21 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 22 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 25 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 26 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 27 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 28 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 29 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 30 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_38(9999): "C", line: 1, col: 31 EscapedChar(9999) UnescapedChar(9999) Digit(9999) TOKEN_18(9999): "2", line: 1, col: 32 EscapedChar(9999) UnescapedChar(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 33 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 34 EscapedChar(9999) UnescapedChar(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 35 TOKEN_3(9999): """, line: 1, col: 36 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_043.out0000644000200400020040000004021515112031047027242 0ustar andriusandriusParse tree from tests/cases/Filter_043.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 1 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 2 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 3 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 4 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 5 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 6 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 7 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 8 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 9 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 10 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 11 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 12 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 13 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 15 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 19 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 20 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 21 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 22 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 23 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 24 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 25 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 26 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 27 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 28 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 29 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 30 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 31 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 32 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 33 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 35 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 38 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 39 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 40 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 41 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 42 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 43 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 44 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 45 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 46 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 47 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 48 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 49 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 50 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 51 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 52 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 53 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 54 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 57 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 58 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 59 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 60 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 61 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 62 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 63 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 64 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 65 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 66 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 67 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_2(9999): "!", line: 1, col: 68 TOKEN_29(9999): "=", line: 1, col: 69 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 70 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 71 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 72 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 73 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 74 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 77 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 78 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 79 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 80 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 81 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 82 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 83 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 84 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 85 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 86 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 87 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 88 TOKEN_29(9999): "=", line: 1, col: 89 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 90 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 91 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 92 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 93 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 94 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 97 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 98 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 99 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 100 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 101 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 102 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 103 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 104 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 105 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 106 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 107 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 108 TOKEN_29(9999): "=", line: 1, col: 109 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 110 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 111 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 112 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 113 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 114 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 117 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 118 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 119 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 120 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 121 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 122 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 123 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 124 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 125 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 126 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 127 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 128 Error: in tests/cases/Filter_043.inp: line 1: unexpected token ">", expected one of """, "+", "-", "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", ".", "a", "b", "c", "d", "e", "f", "g", "h", "i", "j", "k", "l", "m", "n", "o", "p", "q", "r", "s", "t", "u", "v", "w", "x", "y", "z", or "_" nelements = 42 AND nelements > 42 AND nelements < 42 AND nelements != 42 AND nelements >= 42 AND nelements <= 42 AND nelements <> 42 ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_074.out0000644000200400020040000000253015112031047027244 0ustar andriusandriusParse tree from tests/cases/Filter_074.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 1 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 2 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 3 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 4 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 5 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 6 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 7 Error: in tests/cases/Filter_074.inp: line 1: unexpected token "FALSE", expected one of """, "+", "-", "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", ".", "a", "b", "c", "d", "e", "f", "g", "h", "i", "j", "k", "l", "m", "n", "o", "p", "q", "r", "s", "t", "u", "v", "w", "x", "y", "z", or "_" true > FALSE ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_016.out0000644000200400020040000001116015112031047027237 0ustar andriusandriusParse tree from tests/cases/Filter_016.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 1 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 2 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 3 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 5 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 6 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 7 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 8 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 9 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 10 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 11 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 12 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 13 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 14 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 15 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 16 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 17 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 18 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 19 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 20 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 21 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 22 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 23 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 24 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 25 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 26 TOKEN_3(9999): """, line: 1, col: 27 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 28 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 29 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 30 Error: in tests/cases/Filter_016.inp: line 2: unexpected end of file OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_066.out0000644000200400020040000001261615112031047027253 0ustar andriusandriusParse tree from tests/cases/Filter_066.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 1 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 2 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 3 OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 6 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 7 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 8 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 9 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 10 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 11 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 12 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 13 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 14 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 15 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 16 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 17 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 18 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 19 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 20 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 21 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 22 LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 23 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 24 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 25 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 26 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 29 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 30 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 31 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 32 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 33 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 34 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 35 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 36 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 37 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 38 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 39 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_039.out0000644000200400020040000007025115112031047027252 0ustar andriusandriusParse tree from tests/cases/Filter_039.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 9 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 10 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 11 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 14 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 15 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 16 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 17 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 18 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 19 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 20 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 21 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 22 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 23 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 24 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 25 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 28 ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 29 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 30 TOKEN_3(9999): """, line: 1, col: 31 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 32 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 33 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 35 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 38 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 39 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 40 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 41 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 42 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 43 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 44 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 45 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 46 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 47 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 48 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 49 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 50 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 51 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 52 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 53 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 54 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 55 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 56 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 57 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 58 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 59 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 60 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 61 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 62 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 63 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 66 ALL(9999) TOKEN_34(9999): "ALL", line: 1, col: 67 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 70 ValueZipList(9999) ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 71 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 72 TOKEN_3(9999): """, line: 1, col: 73 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 74 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 75 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 76 ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 77 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 78 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 79 TOKEN_3(9999): """, line: 1, col: 80 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 81 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_23(9999): "7", line: 1, col: 82 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 83 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 84 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 87 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 88 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 89 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 90 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 91 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 92 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 93 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 94 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 95 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 96 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 97 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 98 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 99 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 100 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 101 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 102 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 103 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 104 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 105 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 106 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 107 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 108 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 109 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 110 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 111 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 112 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 115 ONLY(9999) TOKEN_59(9999): "ONLY", line: 1, col: 116 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 120 ValueZipList(9999) ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 121 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 122 TOKEN_3(9999): """, line: 1, col: 123 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 124 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 125 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 126 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 127 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 130 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 131 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 132 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 133 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 134 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 135 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 136 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 137 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 138 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 139 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 140 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 141 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 142 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 143 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 144 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 145 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 146 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 147 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 148 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 149 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 150 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 151 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 152 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 153 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 154 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 155 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 158 ANY(9999) TOKEN_36(9999): "ANY", line: 1, col: 159 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 162 ValueZipList(9999) ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 163 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 164 TOKEN_3(9999): """, line: 1, col: 165 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 166 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 167 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 168 ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 169 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 170 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 171 TOKEN_3(9999): """, line: 1, col: 172 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 173 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_23(9999): "7", line: 1, col: 174 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 175 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 176 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 179 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 180 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 181 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 182 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 183 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 184 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 185 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 186 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 187 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 188 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 189 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 190 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 191 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 192 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 193 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 194 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 195 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 196 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 197 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 198 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 199 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 200 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 201 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 202 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 203 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 204 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 207 ONLY(9999) TOKEN_59(9999): "ONLY", line: 1, col: 208 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 212 ValueZipList(9999) ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 213 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 214 TOKEN_3(9999): """, line: 1, col: 215 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 216 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 217 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 218 ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 219 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 220 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 221 TOKEN_3(9999): """, line: 1, col: 222 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 223 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_23(9999): "7", line: 1, col: 224 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_054.out0000644000200400020040000004505615112031047027254 0ustar andriusandriusParse tree from tests/cases/Filter_054.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 10 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 14 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 15 TOKEN_3(9999): """, line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 21 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 22 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 23 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 24 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 25 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 26 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 27 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 28 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 29 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 30 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 31 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 ALL(9999) TOKEN_34(9999): "ALL", line: 1, col: 35 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 38 ValueList(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 39 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 40 TOKEN_3(9999): """, line: 1, col: 41 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 42 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 43 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 44 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 45 TOKEN_3(9999): """, line: 1, col: 46 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 47 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 48 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_45(9999): "G", line: 1, col: 49 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 50 TOKEN_3(9999): """, line: 1, col: 51 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 52 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 53 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_66(9999): "T", line: 1, col: 54 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 55 TOKEN_3(9999): """, line: 1, col: 56 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 57 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 58 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 61 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 62 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 63 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 64 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 65 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 66 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 67 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 68 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 69 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 70 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 71 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 74 ONLY(9999) TOKEN_59(9999): "ONLY", line: 1, col: 75 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 79 ValueList(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 80 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 81 TOKEN_3(9999): """, line: 1, col: 82 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 83 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 84 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 85 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 86 TOKEN_3(9999): """, line: 1, col: 87 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 88 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 89 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_45(9999): "G", line: 1, col: 90 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 91 TOKEN_3(9999): """, line: 1, col: 92 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 93 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 94 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_66(9999): "T", line: 1, col: 95 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 96 TOKEN_3(9999): """, line: 1, col: 97 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 98 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 99 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 102 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 103 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 104 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 105 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 106 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 107 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 108 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 109 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 110 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 111 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 112 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 115 ANY(9999) TOKEN_36(9999): "ANY", line: 1, col: 116 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 119 ValueList(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 120 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 121 TOKEN_3(9999): """, line: 1, col: 122 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 123 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 124 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 125 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 126 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 127 TOKEN_3(9999): """, line: 1, col: 128 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 129 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 130 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 131 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_45(9999): "G", line: 1, col: 132 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 133 TOKEN_3(9999): """, line: 1, col: 134 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 135 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 136 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 137 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_66(9999): "T", line: 1, col: 138 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 139 TOKEN_3(9999): """, line: 1, col: 140 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_065.out0000644000200400020040000002023715112031047027250 0ustar andriusandriusParse tree from tests/cases/Filter_065.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 1 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 5 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 6 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 7 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 8 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 9 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 10 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 11 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 16 FuzzyStringOpRhs(9999) CONTAINS(9999) TOKEN_39(9999): "CONTAINS", line: 1, col: 17 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 25 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 26 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 27 TOKEN_3(9999): """, line: 1, col: 28 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 29 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 32 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 33 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 34 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 35 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 36 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 37 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 38 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 39 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 40 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 41 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 42 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 43 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 44 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 45 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 46 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 47 FuzzyStringOpRhs(9999) STARTS(9999) TOKEN_65(9999): "STARTS", line: 1, col: 48 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 54 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 55 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 56 TOKEN_3(9999): """, line: 1, col: 57 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 58 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 61 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 62 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 63 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 64 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 65 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 66 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 67 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 68 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 69 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 70 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 71 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 72 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 73 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 74 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 75 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 76 FuzzyStringOpRhs(9999) ENDS(9999) TOKEN_42(9999): "ENDS", line: 1, col: 77 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 81 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 82 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 83 TOKEN_3(9999): """, line: 1, col: 84 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 85 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_077.out0000644000200400020040000000205115112031047027245 0ustar andriusandriusParse tree from tests/cases/Filter_077.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 1 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 2 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 3 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 6 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 7 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 8 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_056.out0000644000200400020040000002215615112031047027252 0ustar andriusandriusParse tree from tests/cases/Filter_056.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 1 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 2 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 5 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 6 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 7 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 8 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 9 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 10 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 11 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 12 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 13 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 14 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 15 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 16 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 17 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 18 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 19 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 20 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 21 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 22 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 23 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 26 RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 27 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 28 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_19(9999): "3", line: 1, col: 29 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 30 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 31 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 35 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 36 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 37 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 38 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 39 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 40 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 41 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 42 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 43 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 44 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 45 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 46 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 47 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 48 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 49 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 50 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 51 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 52 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 53 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 54 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 55 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 56 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 57 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 60 ANY(9999) TOKEN_36(9999): "ANY", line: 1, col: 61 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 64 ValueList(9999) ValueListEntry(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 65 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 66 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_19(9999): "3", line: 1, col: 67 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 68 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 69 ValueListEntry(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 70 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 71 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 72 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 73 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 74 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 75 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 76 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 77 ValueListEntry(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_2(9999): "!", line: 1, col: 78 TOKEN_29(9999): "=", line: 1, col: 79 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 80 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_24(9999): "8", line: 1, col: 81 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 82 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_013.out0000644000200400020040000000404715112031047027242 0ustar andriusandriusParse tree from tests/cases/Filter_013.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 1 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 5 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 6 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 7 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 8 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 9 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 12 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 13 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 14 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 15 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 16 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_081.out0000644000200400020040000000523215112031047027244 0ustar andriusandriusParse tree from tests/cases/Filter_081.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 1 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 2 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 3 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 6 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 7 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 10 FuzzyStringOpRhs(9999) ENDS(9999) TOKEN_42(9999): "ENDS", line: 1, col: 11 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 15 WITH(9999) TOKEN_72(9999): "WITH", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 20 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 21 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_55(9999): "M", line: 1, col: 22 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_58(9999): "O", line: 1, col: 23 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_43(9999): "F", line: 1, col: 24 TOKEN_3(9999): """, line: 1, col: 25 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 26 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_050.out0000644000200400020040000003226415112031047027245 0ustar andriusandriusParse tree from tests/cases/Filter_050.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 1 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 2 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 5 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 6 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 7 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 8 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 9 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 10 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 11 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 12 TOKEN_29(9999): "=", line: 1, col: 13 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 14 OrderedValue(9999) OrderedConstant(9999) Number(9999) Sign(9999) TOKEN_11(9999): "+", line: 1, col: 15 TOKEN_14(9999): ".", line: 1, col: 16 Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 17 Exponent(9999) TOKEN_86(9999): "e", line: 1, col: 18 Digits(9999) Digit(9999) TOKEN_24(9999): "8", line: 1, col: 19 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 20 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 21 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 23 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 24 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 25 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 26 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 27 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 28 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 29 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 30 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 31 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 32 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 33 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 34 TOKEN_29(9999): "=", line: 1, col: 35 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 36 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 37 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 38 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 39 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 40 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 43 ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 44 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 47 OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 48 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 49 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 50 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 51 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 52 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 53 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 54 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 55 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 56 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 57 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 58 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_2(9999): "!", line: 1, col: 59 TOKEN_29(9999): "=", line: 1, col: 60 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 61 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 62 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_64(9999): "S", line: 1, col: 63 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 64 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 65 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 66 EscapedChar(9999) UnescapedChar(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 67 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 68 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 69 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 70 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 71 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 72 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_88(9999): "g", line: 1, col: 73 TOKEN_3(9999): """, line: 1, col: 74 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 75 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 76 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 78 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 79 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 82 Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 83 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 84 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 85 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 86 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 87 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 88 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 89 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 90 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 91 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 92 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 93 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_23(9999): "7", line: 1, col: 94 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 95 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 96 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_051.out0000644000200400020040000001666115112031047027251 0ustar andriusandriusParse tree from tests/cases/Filter_051.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 1 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 2 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 5 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 6 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 7 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 8 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 9 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 10 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 11 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 12 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 13 LowercaseLetter(9999) TOKEN_88(9999): "g", line: 1, col: 14 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 15 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 16 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 17 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 18 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 19 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 20 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 21 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_19(9999): "3", line: 1, col: 22 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 23 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 24 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 25 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 26 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 29 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 30 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 31 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 32 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 33 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 34 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 35 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 36 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 37 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 38 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 39 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 40 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 41 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 42 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 45 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 46 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 47 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 48 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 49 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 50 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 51 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 52 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 53 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 54 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 55 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_64(9999): "S", line: 1, col: 56 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 57 EscapedChar(9999) UnescapedChar(9999) Punctuator(9999) TOKEN_12(9999): ",", line: 1, col: 58 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_58(9999): "O", line: 1, col: 59 EscapedChar(9999) UnescapedChar(9999) Digit(9999) TOKEN_18(9999): "2", line: 1, col: 60 TOKEN_3(9999): """, line: 1, col: 61 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_008.out0000644000200400020040000000640215112031047027243 0ustar andriusandriusParse tree from tests/cases/Filter_008.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 1 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 2 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 3 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 6 OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 7 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 8 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 9 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 10 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 11 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 12 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 18 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 19 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 20 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 21 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 22 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_044.out0000644000200400020040000003307515112031047027251 0ustar andriusandriusParse tree from tests/cases/Filter_044.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 1 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 2 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 3 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 4 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 5 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 6 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 7 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 8 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 9 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 10 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 11 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 12 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 13 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 15 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 19 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 20 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 21 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 22 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 23 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 24 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 25 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 26 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 27 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 28 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 29 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 30 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 31 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 32 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 33 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 35 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 38 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 39 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 40 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 41 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 42 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 43 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 44 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 45 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 46 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 47 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 48 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 49 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 50 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 51 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 52 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 53 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 54 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 57 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 58 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 59 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 60 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 61 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 62 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 63 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 64 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 65 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 66 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 67 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_2(9999): "!", line: 1, col: 68 TOKEN_29(9999): "=", line: 1, col: 69 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 70 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 71 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 72 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 73 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 74 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 77 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 78 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 79 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 80 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 81 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 82 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 83 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 84 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 85 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 86 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 87 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 88 TOKEN_29(9999): "=", line: 1, col: 89 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 90 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 91 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 92 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 93 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 94 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 97 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 98 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 99 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 100 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 101 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 102 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 103 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 104 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 105 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 106 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 107 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 108 TOKEN_29(9999): "=", line: 1, col: 109 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 110 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 111 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 112 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/ere_identifiers_002.out0000644000200400020040000000004115112031047031141 0ustar andriusandriusNOT An __Identifier__ 3334 34E+1 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/symops_pcre_to_ecma_001.out0000644000200400020040000000005215112031047032034 0ustar andriusandriusPASS: expanded regular expressions match. OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_034.out0000644000200400020040000000365115112031047027245 0ustar andriusandriusParse tree from tests/cases/Filter_034.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 10 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 14 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 15 TOKEN_3(9999): """, line: 1, col: 16 Error: in tests/cases/Filter_034.inp: line 1: unexpected token ",", expected elements HAS "H", "He" ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/ebnf_numbers_002.out0000644000200400020040000000101315112031047030446 0ustar andriusandriusParse tree from /dev/fd/62: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 4 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 5 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 7 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 8 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_058.out0000644000200400020040000001460315112031047027252 0ustar andriusandriusParse tree from tests/cases/Filter_058.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 1 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 5 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 6 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 7 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 8 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 9 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 10 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 11 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 19 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 20 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 21 EscapedChar(9999) UnescapedChar(9999) Digit(9999) TOKEN_18(9999): "2", line: 1, col: 22 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_58(9999): "O", line: 1, col: 23 TOKEN_3(9999): """, line: 1, col: 24 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 25 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 26 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 29 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 30 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 31 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 32 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 33 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 34 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 35 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 36 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 37 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 38 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 39 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 40 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 41 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 42 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 43 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 44 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 45 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 46 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 47 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_2(9999): "!", line: 1, col: 48 TOKEN_29(9999): "=", line: 1, col: 49 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 50 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 51 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 52 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_37(9999): "B", line: 1, col: 53 TOKEN_3(9999): """, line: 1, col: 54 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_017.out0000644000200400020040000000622015112031047027241 0ustar andriusandriusParse tree from tests/cases/Filter_017.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 1 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 5 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 6 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 7 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 8 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 9 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 10 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 11 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 19 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 20 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 21 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 22 TOKEN_3(9999): """, line: 1, col: 23 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 24 Error: in tests/cases/Filter_017.inp: line 1: unexpected token "a", expected chemical_formula = "Al" and prototype_formula = "A" ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/pcre_numbers_004.out0000644000200400020040000000000015112031047030462 0ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_057.out0000644000200400020040000003342615112031047027255 0ustar andriusandriusParse tree from tests/cases/Filter_057.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 9 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 10 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 11 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 16 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 17 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 18 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 19 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 20 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 21 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 22 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 23 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 24 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 25 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 26 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 27 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 28 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 29 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 30 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 31 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 32 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 33 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 34 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 35 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 36 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 37 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 38 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 39 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 40 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 41 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 42 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 43 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 44 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 45 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 46 LowercaseLetter(9999) TOKEN_104(9999): "w", line: 1, col: 47 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 48 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 49 LowercaseLetter(9999) TOKEN_88(9999): "g", line: 1, col: 50 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 51 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 52 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 53 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 54 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 55 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 58 ANY(9999) TOKEN_36(9999): "ANY", line: 1, col: 59 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 62 ValueZipList(9999) ValueZip(9999) ValueListEntry(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 63 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 64 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_19(9999): "3", line: 1, col: 65 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 66 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 67 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 68 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 69 TOKEN_3(9999): """, line: 1, col: 70 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 71 ValueListEntry(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 72 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_21(9999): "5", line: 1, col: 73 Digit(9999) TOKEN_21(9999): "5", line: 1, col: 74 TOKEN_14(9999): ".", line: 1, col: 75 Digits(9999) Digit(9999) TOKEN_19(9999): "3", line: 1, col: 76 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 77 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 78 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 79 ValueZip(9999) ValueListEntry(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 80 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 81 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 82 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 83 ValueListEntry(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 84 OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 85 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_66(9999): "T", line: 1, col: 86 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 87 TOKEN_3(9999): """, line: 1, col: 88 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 89 ValueListEntry(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 90 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_19(9999): "3", line: 1, col: 91 Digit(9999) TOKEN_23(9999): "7", line: 1, col: 92 TOKEN_14(9999): ".", line: 1, col: 93 Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 94 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 95 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 96 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 97 ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_24(9999): "8", line: 1, col: 98 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 99 ValueListEntry(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 100 OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 101 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_45(9999): "G", line: 1, col: 102 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 103 TOKEN_3(9999): """, line: 1, col: 104 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 105 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 106 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_003.out0000644000200400020040000000451615112031047027242 0ustar andriusandriusParse tree from tests/cases/Filter_003.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 1 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 5 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 6 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 7 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 8 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 9 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 10 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 11 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 14 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 15 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 16 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 17 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 18 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_020.out0000644000200400020040000000471415112031047027241 0ustar andriusandriusParse tree from tests/cases/Filter_020.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 1 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 5 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 6 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 7 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 8 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 9 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 10 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 11 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 FuzzyStringOpRhs(9999) CONTAINS(9999) TOKEN_39(9999): "CONTAINS", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 26 Error: in tests/cases/Filter_020.inp: line 1: unexpected token "STARTS", expected one of "TRUE", "FALSE", """, "+", "-", "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", ".", "a", "b", "c", "d", "e", "f", "g", "h", "i", "j", "k", "l", "m", "n", "o", "p", "q", "r", "s", "t", "u", "v", "w", "x", "y", "z", or "_" chemical_formula CONTAINS STARTS "Al" ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/pcre_numbers_003.out0000644000200400020040000000060715112031047030476 0ustar andriusandrius-0.314159E01 +0.314159E01 0.314159E01 -0.314159E1 -0.314159E+1 +0.314159E1 +0.314159E+1 0.314159E1 0.314159E+1 -3.14159 +3.14159 3.14159 +314159.E-00005 +314159E-00005 -.314159E01 -31.4159E-01 .314159E01 +.314159E01 +31.4159E-01 31.4159E-01 +314159.E-05 +314159E-05 -.314159E1 -.314159E+1 -31.4159E-1 .314159E1 .314159E+1 +.314159E1 +.314159E+1 +31.4159E-1 31.4159E-1 +314159.E-5 +314159E-5 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_030.out0000644000200400020040000000074515112031047027242 0ustar andriusandriusParse tree from tests/cases/Filter_030.inp: Error: in tests/cases/Filter_030.inp: line 1: unexpected token "LENGTH", expected one of " ", , , , , , "NOT", """, "+", "-", "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", ".", "TRUE", "FALSE", "a", "b", "c", "d", "e", "f", "g", "h", "i", "j", "k", "l", "m", "n", "o", "p", "q", "r", "s", "t", "u", "v", "w", "x", "y", "z", "_", or "(" LENGTH elements 42 ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_047.out0000644000200400020040000000332115112031047027243 0ustar andriusandriusParse tree from tests/cases/Filter_047.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 1 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 2 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 3 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 4 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 5 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 6 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 7 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 8 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 9 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 10 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 11 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 12 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_19(9999): "3", line: 1, col: 13 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_015.out0000644000200400020040000000706115112031047027243 0ustar andriusandriusParse tree from tests/cases/Filter_015.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 1 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 5 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 6 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 7 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 8 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 9 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 10 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 11 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 19 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 20 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 21 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 22 TOKEN_3(9999): """, line: 1, col: 23 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 24 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 25 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 28 Error: in tests/cases/Filter_015.inp: line 1: unexpected token "OR", expected one of "NOT", """, "+", "-", "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", ".", "TRUE", "FALSE", "a", "b", "c", "d", "e", "f", "g", "h", "i", "j", "k", "l", "m", "n", "o", "p", "q", "r", "s", "t", "u", "v", "w", "x", "y", "z", "_", or "(" chemical_formula = "Al" AND OR prototype_formula = "A" ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/ebnf_numbers_003.out0000644000200400020040000007672315112031047030473 0ustar andriusandriusParse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 4 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 5 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 6 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 8 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 4 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 5 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 6 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 8 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 5 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 7 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 5 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 7 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 TOKEN_3(9999): ".", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 4 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 5 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 4 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 5 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 6 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 7 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 8 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 9 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 4 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 5 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 6 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 7 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 8 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 9 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 5 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 6 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 8 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 5 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 6 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 8 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 3 Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 2 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 3 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 5 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 6 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 8 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 5 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 6 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 8 Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 2 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 4 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 5 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 7 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 5 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 6 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 8 Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 2 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 4 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 5 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 7 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 5 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 6 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 8 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 3 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 6 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 3 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 6 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 4 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 5 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 6 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 7 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 8 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 9 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 4 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 5 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 6 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 7 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 8 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 9 Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 2 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 4 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 5 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 1 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 1 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_8(9999): "4", line: 1, col: 1 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_9(9999): "5", line: 1, col: 1 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_10(9999): "6", line: 1, col: 1 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 2 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 1 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 1 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 5 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 6 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 5 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 6 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 1 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 2 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 4 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 5 Digits(9999) Digit(9999) TOKEN_8(9999): "4", line: 1, col: 6 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 4 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 5 Digits(9999) Digit(9999) TOKEN_8(9999): "4", line: 1, col: 6 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 3 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 4 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 5 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 6 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 7 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 8 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 9 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 3 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 4 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 5 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 6 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 7 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 8 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 9 TOKEN_3(9999): ".", line: 1, col: 10 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 5 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 7 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 5 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 7 Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 2 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 6 Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 2 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 6 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 5 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 5 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 6 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 6 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 4 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 5 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 6 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 8 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 4 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 5 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 6 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 8 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 6 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 8 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 6 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 8 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 2 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 3 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 4 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 5 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 6 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 7 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 8 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 9 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 10 TOKEN_3(9999): ".", line: 1, col: 11 Exponent(9999) TOKEN_15(9999): "e", line: 1, col: 12 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 13 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 14 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 15 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 16 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 17 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 18 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 19 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 20 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 21 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 22 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 2 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 3 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 4 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 5 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 6 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 7 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 8 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 9 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 10 TOKEN_3(9999): ".", line: 1, col: 11 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 12 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 13 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 14 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 15 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 16 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 17 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 18 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 19 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 20 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 21 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 22 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/pcre_identifiers_002.out0000644000200400020040000000004115112031047031317 0ustar andriusandriusNOT An __Identifier__ 3334 34E+1 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_026.out0000644000200400020040000000247315112031047027247 0ustar andriusandriusParse tree from tests/cases/Filter_026.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 LengthOpRhs(9999) LENGTH(9999) TOKEN_54(9999): "LENGTH", line: 1, col: 10 Error: in tests/cases/Filter_026.inp: line 1: unexpected end of file elements LENGTH ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_072.out0000644000200400020040000000674615112031047027257 0ustar andriusandriusParse tree from tests/cases/Filter_072.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 1 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 2 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 3 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 FuzzyStringOpRhs(9999) STARTS(9999) TOKEN_65(9999): "STARTS", line: 1, col: 10 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 16 WITH(9999) TOKEN_72(9999): "WITH", line: 1, col: 17 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 21 Value(9999) OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 22 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 23 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 24 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 25 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 26 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 27 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 28 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 29 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 30 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 31 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 32 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 33 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 34 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 35 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 36 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 37 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 38 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_062.out0000644000200400020040000000330015112031047027235 0ustar andriusandriusParse tree from tests/cases/Filter_062.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) ConstantFirstComparison(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_21(9999): "5", line: 1, col: 1 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 2 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 3 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 5 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 6 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 7 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 8 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 9 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 10 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 11 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 12 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_012.out0000644000200400020040000001213215112031047027233 0ustar andriusandriusParse tree from tests/cases/Filter_012.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 1 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 2 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 3 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 5 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 8 ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 9 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 10 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 11 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 12 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 13 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 14 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 15 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 18 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_2(9999): "!", line: 1, col: 19 TOKEN_29(9999): "=", line: 1, col: 20 Value(9999) OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 21 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 22 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 23 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 25 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 26 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 27 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 28 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 29 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 30 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 31 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 32 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_037.out0000644000200400020040000000657515112031047027260 0ustar andriusandriusParse tree from tests/cases/Filter_037.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 9 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 10 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 11 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 14 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 15 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 16 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 17 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 18 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 19 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 20 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 21 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 22 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 23 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 24 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 25 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 28 Error: in tests/cases/Filter_037.inp: line 1: unexpected token "IS", expected one of "TRUE", "FALSE", """, "+", "-", "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", ".", "a", "b", "c", "d", "e", "f", "g", "h", "i", "j", "k", "l", "m", "n", "o", "p", "q", "r", "s", "t", "u", "v", "w", "x", "y", "z", "_", "!", "=", "<", ">", "CONTAINS", "STARTS", "ENDS", "ONLY", "ALL", or "ANY" elements:element_counts HAS IS 'H':6,'He':7 ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_060.out0000644000200400020040000001425715112031047027250 0ustar andriusandriusParse tree from tests/cases/Filter_060.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 1 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 2 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 3 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 4 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 5 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 6 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 7 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 8 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 9 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 10 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 11 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 12 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 13 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 14 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 15 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 16 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 17 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 18 FuzzyStringOpRhs(9999) STARTS(9999) TOKEN_65(9999): "STARTS", line: 1, col: 19 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 25 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 26 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_37(9999): "B", line: 1, col: 27 EscapedChar(9999) UnescapedChar(9999) Digit(9999) TOKEN_18(9999): "2", line: 1, col: 28 TOKEN_3(9999): """, line: 1, col: 29 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 30 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 31 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 35 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 36 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 37 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 38 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 39 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 40 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 41 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 42 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 43 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 44 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 45 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 46 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 47 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 48 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 49 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 50 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 51 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 52 FuzzyStringOpRhs(9999) ENDS(9999) TOKEN_42(9999): "ENDS", line: 1, col: 53 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 57 WITH(9999) TOKEN_72(9999): "WITH", line: 1, col: 58 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 62 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 63 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_40(9999): "D", line: 1, col: 64 EscapedChar(9999) UnescapedChar(9999) Digit(9999) TOKEN_18(9999): "2", line: 1, col: 65 TOKEN_3(9999): """, line: 1, col: 66 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_014.out0000644000200400020040000001007615112031047027242 0ustar andriusandriusParse tree from tests/cases/Filter_014.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 1 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 2 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 3 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 6 OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 7 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 8 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 9 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 10 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 11 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 12 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 18 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 19 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 20 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 21 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 22 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 23 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 24 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 25 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 26 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/ebnf_numbers_006.out0000644000200400020040000002300615112031047030460 0ustar andriusandriusParse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Error: in /dev/fd/63: line 1: unexpected token "+", expected one of "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", or "." Error: in /dev/fd/63: line 1: unexpected token "(" , expected Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Error: in /dev/fd/63: line 1: unexpected token "-", expected one of "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", or "." Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Error: in /dev/fd/63: line 1: unexpected token "A" , expected Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 Error: in /dev/fd/63: line 1: unexpected token "A" , expected Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 5 Sign(9999) TOKEN_1(9999): "+", line: 1, col: 6 Error: in /dev/fd/63: line 1: unexpected token "+", expected one of "0", "1", "2", "3", "4", "5", "6", "7", "8", or "9" Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 Error: in /dev/fd/63: line 1: unexpected token "," , expected Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Error: in /dev/fd/63: line 1: unexpected token ".", expected Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Error: in /dev/fd/63: line 1: unexpected token ".", expected Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 6 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 8 Error: in /dev/fd/63: line 1: unexpected token "(" , expected Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Error: in /dev/fd/63: line 1: unexpected token "D" , expected Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Error: in /dev/fd/63: line 1: unexpected token "D" , expected Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 3 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Error: in /dev/fd/63: line 1: unexpected token "D" , expected Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Error: in /dev/fd/63: line 1: unexpected token "+", expected one of "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", or "." Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Error: in /dev/fd/63: line 1: unexpected token "-", expected one of "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", or "." Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Error: in /dev/fd/63: line 1: unexpected end of file Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Error: in /dev/fd/63: line 1: unexpected token ".", expected one of "0", "1", "2", "3", "4", "5", "6", "7", "8", or "9" Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Error: in /dev/fd/63: line 1: unexpected end of file Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 3 Error: in /dev/fd/63: line 1: unexpected end of file Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 3 Error: in /dev/fd/63: line 1: unexpected token "E", expected one of "0", "1", "2", "3", "4", "5", "6", "7", "8", or "9" Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Error: in /dev/fd/63: line 1: unexpected token "-", expected one of "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", or "." Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 Error: in /dev/fd/63: line 1: unexpected token "-", expected Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 6 Error: in /dev/fd/63: line 1: unexpected token "(" , expected Parse tree from /dev/fd/63: Error: in /dev/fd/63: line 1: unexpected token "?" , expected one of "+", "-", "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", or "." Parse tree from /dev/fd/63: Error: in /dev/fd/63: line 1: unexpected token "A" , expected one of "+", "-", "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", or "." Parse tree from /dev/fd/63: Error: in /dev/fd/63: line 1: unexpected token "(" , expected one of "+", "-", "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", or "." Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Error: in /dev/fd/63: line 1: unexpected end of file Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Error: in /dev/fd/63: line 1: unexpected end of file Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Error: in /dev/fd/63: line 1: unexpected token "E", expected one of "0", "1", "2", "3", "4", "5", "6", "7", "8", or "9" Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Error: in /dev/fd/63: line 1: unexpected token "E", expected one of "0", "1", "2", "3", "4", "5", "6", "7", "8", or "9" Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Error: in /dev/fd/63: line 1: unexpected token "E", expected one of "0", "1", "2", "3", "4", "5", "6", "7", "8", or "9" Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 4 Error: in /dev/fd/63: line 1: unexpected token "(" , expected one of "0", "1", "2", "3", "4", "5", "6", "7", "8", or "9" Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_6(9999): "2", line: 1, col: 4 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 5 Error: in /dev/fd/63: line 1: unexpected token "(" , expected one of "0", "1", "2", "3", "4", "5", "6", "7", "8", or "9" Parse tree from /dev/fd/63: Error: in /dev/fd/63: line 1: unexpected token "'" , expected one of "+", "-", "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", or "." Parse tree from /dev/fd/63: Error: in /dev/fd/63: line 1: unexpected token """ , expected one of "+", "-", "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", or "." OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Number_002.out0000644000200400020040000000103315112031047027233 0ustar andriusandriusParse tree from tests/cases/Number_002.inp: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 4 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 5 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 7 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 8 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_036.out0000644000200400020040000001204315112031047027242 0ustar andriusandriusParse tree from tests/cases/Filter_036.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 9 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 10 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 11 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 14 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 15 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 16 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 17 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 18 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 19 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 20 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 21 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 22 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 23 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 24 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 25 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 26 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 27 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 28 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 29 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 30 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 31 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 32 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 33 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 34 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 37 ValueZip(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 38 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 39 TOKEN_3(9999): """, line: 1, col: 40 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 41 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_22(9999): "6", line: 1, col: 42 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 43 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_064.out0000644000200400020040000002461615112031047027254 0ustar andriusandriusParse tree from tests/cases/Filter_064.inp: Filter(9999) Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 1 Space(9999) TOKEN_1(9999): " ", line: 1, col: 2 Space(9999) TOKEN_1(9999): " ", line: 1, col: 3 Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 Space(9999) TOKEN_1(9999): " ", line: 1, col: 5 Space(9999) TOKEN_1(9999): " ", line: 1, col: 6 Space(9999) TOKEN_1(9999): " ", line: 1, col: 7 Space(9999) TOKEN_1(9999): " ", line: 1, col: 8 Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 10 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 11 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 14 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 15 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 16 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 17 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 18 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 19 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 20 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 21 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 22 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 23 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 24 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 25 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 26 FuzzyStringOpRhs(9999) CONTAINS(9999) TOKEN_39(9999): "CONTAINS", line: 1, col: 27 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 35 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 36 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 37 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 38 TOKEN_3(9999): """, line: 1, col: 39 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 40 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 41 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 44 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 45 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 46 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 47 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 48 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 49 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 50 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 51 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 52 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 53 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 54 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 55 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 56 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 57 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 58 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 59 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 60 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 61 FuzzyStringOpRhs(9999) STARTS(9999) TOKEN_65(9999): "STARTS", line: 1, col: 62 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 68 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 69 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 70 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 71 TOKEN_3(9999): """, line: 1, col: 72 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 73 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 74 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 77 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 78 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 79 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 80 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 81 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 82 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 83 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 84 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 85 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 86 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 87 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 88 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 89 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 90 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 91 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 92 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 93 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 94 FuzzyStringOpRhs(9999) ENDS(9999) TOKEN_42(9999): "ENDS", line: 1, col: 95 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 99 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 100 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 101 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 102 TOKEN_3(9999): """, line: 1, col: 103 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 104 Space(9999) TOKEN_1(9999): " ", line: 1, col: 105 Space(9999) TOKEN_1(9999): " ", line: 1, col: 106 Space(9999) TOKEN_1(9999): " ", line: 1, col: 107 Space(9999) TOKEN_1(9999): " ", line: 1, col: 108 Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 109 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_024.out0000644000200400020040000000372115112031047027242 0ustar andriusandriusParse tree from tests/cases/Filter_024.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 1 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 5 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 6 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 7 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 8 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 9 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 10 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 11 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 Error: in tests/cases/Filter_024.inp: line 1: unexpected token "KNOWN", expected chemical_formula KNOWN ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_069.out0000644000200400020040000000703615112031047027256 0ustar andriusandriusParse tree from tests/cases/Filter_069.inp: Filter(9999) Spaces(9999) Space(9999) vt(9999) SPECIAL_3(9999): "(...)", line: 1, col: 1 Space(9999) ff(9999) SPECIAL_4(9999): "(...)", line: 1, col: 2 Space(9999) tab(9999) SPECIAL_0(9999): "(...)", line: 1, col: 3 Space(9999) tab(9999) SPECIAL_0(9999): "(...)", line: 1, col: 4 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 5 Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 8 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 9 Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 2, col: 1 Space(9999) TOKEN_1(9999): " ", line: 3, col: 1 Space(9999) TOKEN_1(9999): " ", line: 3, col: 2 Space(9999) TOKEN_1(9999): " ", line: 3, col: 3 Space(9999) tab(9999) SPECIAL_0(9999): "(...)", line: 3, col: 4 Space(9999) TOKEN_1(9999): " ", line: 3, col: 5 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 3, col: 6 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 3, col: 7 Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 3, col: 8 Space(9999) cr(9999) SPECIAL_2(9999): "(...)", line: 4, col: 1 Space(9999) TOKEN_1(9999): " ", line: 4, col: 2 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 4, col: 3 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 4, col: 4 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 4, col: 5 LowercaseLetter(9999) TOKEN_83(9999): "b", line: 4, col: 6 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 4, col: 7 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 4, col: 8 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 4, col: 9 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 4, col: 10 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 4, col: 11 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 4, col: 12 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 4, col: 13 Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 5, col: 1 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_019.out0000644000200400020040000000513615112031047027250 0ustar andriusandriusParse tree from tests/cases/Filter_019.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 1 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 5 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 6 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 7 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 8 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 9 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 10 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 11 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 FuzzyStringOpRhs(9999) CONTAINS(9999) TOKEN_39(9999): "CONTAINS", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 26 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 27 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 28 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 29 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_031.out0000644000200400020040000003510615112031047027242 0ustar andriusandriusParse tree from tests/cases/Filter_031.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 LengthOpRhs(9999) LENGTH(9999) TOKEN_54(9999): "LENGTH", line: 1, col: 10 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 16 Operator(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 17 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 18 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 19 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 20 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 21 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 22 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 25 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 26 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 27 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 28 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 29 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 30 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 31 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 32 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 33 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 LengthOpRhs(9999) LENGTH(9999) TOKEN_54(9999): "LENGTH", line: 1, col: 35 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 41 Operator(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 42 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 43 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 44 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 45 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 46 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 47 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 50 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 51 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 52 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 53 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 54 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 55 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 56 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 57 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 58 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 59 LengthOpRhs(9999) LENGTH(9999) TOKEN_54(9999): "LENGTH", line: 1, col: 60 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 66 Operator(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 67 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 68 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 69 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 70 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 71 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 72 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 75 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 76 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 77 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 78 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 79 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 80 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 81 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 82 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 83 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 84 LengthOpRhs(9999) LENGTH(9999) TOKEN_54(9999): "LENGTH", line: 1, col: 85 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 91 Operator(9999) EqualityOperator(9999) TOKEN_2(9999): "!", line: 1, col: 92 TOKEN_29(9999): "=", line: 1, col: 93 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 94 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 95 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 96 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 97 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 98 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 101 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 102 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 103 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 104 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 105 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 106 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 107 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 108 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 109 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 110 LengthOpRhs(9999) LENGTH(9999) TOKEN_54(9999): "LENGTH", line: 1, col: 111 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 117 Operator(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 118 TOKEN_29(9999): "=", line: 1, col: 119 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 120 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 121 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 122 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 123 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 124 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 127 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 128 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 129 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 130 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 131 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 132 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 133 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 134 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 135 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 136 LengthOpRhs(9999) LENGTH(9999) TOKEN_54(9999): "LENGTH", line: 1, col: 137 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 143 Operator(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 144 TOKEN_29(9999): "=", line: 1, col: 145 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 146 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 147 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 148 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 149 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_035.out0000644000200400020040000006127715112031047027256 0ustar andriusandriusParse tree from tests/cases/Filter_035.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 10 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 14 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 15 TOKEN_3(9999): """, line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 21 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 22 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 23 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 24 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 25 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 26 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 27 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 28 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 29 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 30 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 31 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 ALL(9999) TOKEN_34(9999): "ALL", line: 1, col: 35 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 38 ValueList(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 39 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 40 TOKEN_3(9999): """, line: 1, col: 41 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 42 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 43 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 44 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 45 TOKEN_3(9999): """, line: 1, col: 46 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 47 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 48 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_45(9999): "G", line: 1, col: 49 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 50 TOKEN_3(9999): """, line: 1, col: 51 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 52 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 53 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_66(9999): "T", line: 1, col: 54 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 55 TOKEN_3(9999): """, line: 1, col: 56 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 57 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 58 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 61 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 62 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 63 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 64 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 65 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 66 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 67 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 68 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 69 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 70 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 71 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 74 ONLY(9999) TOKEN_59(9999): "ONLY", line: 1, col: 75 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 79 ValueList(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 80 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 81 TOKEN_3(9999): """, line: 1, col: 82 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 83 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 84 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 85 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 86 TOKEN_3(9999): """, line: 1, col: 87 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 88 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 89 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_45(9999): "G", line: 1, col: 90 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 91 TOKEN_3(9999): """, line: 1, col: 92 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 93 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 94 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_66(9999): "T", line: 1, col: 95 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 96 TOKEN_3(9999): """, line: 1, col: 97 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 98 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 99 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 102 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 103 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 104 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 105 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 106 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 107 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 108 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 109 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 110 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 111 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 112 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 115 ANY(9999) TOKEN_36(9999): "ANY", line: 1, col: 116 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 119 ValueList(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 120 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 121 TOKEN_3(9999): """, line: 1, col: 122 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 123 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 124 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 125 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 126 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 127 TOKEN_3(9999): """, line: 1, col: 128 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 129 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 130 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 131 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_45(9999): "G", line: 1, col: 132 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 133 TOKEN_3(9999): """, line: 1, col: 134 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 135 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 136 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 137 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_66(9999): "T", line: 1, col: 138 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 139 TOKEN_3(9999): """, line: 1, col: 140 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 141 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 142 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 145 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 146 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 147 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 148 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 149 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 150 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 151 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 152 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 153 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 154 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 155 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 158 ONLY(9999) TOKEN_59(9999): "ONLY", line: 1, col: 159 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 163 ValueList(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 164 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 165 TOKEN_3(9999): """, line: 1, col: 166 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 167 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 168 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 169 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 170 TOKEN_3(9999): """, line: 1, col: 171 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 172 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 173 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_45(9999): "G", line: 1, col: 174 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 175 TOKEN_3(9999): """, line: 1, col: 176 Comma(9999) TOKEN_12(9999): ",", line: 1, col: 177 ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 178 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_66(9999): "T", line: 1, col: 179 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 180 TOKEN_3(9999): """, line: 1, col: 181 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 182 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/pcre_numbers_001.out0000644000200400020040000000105415112031047030471 0ustar andriusandrius-1.23e12 -1.23E12 -.23e12 -.23E12 -111 -12 -11.1 -1e1 -1E1 -1.23 -1 -1. -.1e1 -.1E1 -.23 -.1 -1.23e-12 -1.23E-12 -.23e-12 -.23E-12 -.0 .0 +.0 0.23e-12 0.23E-12 .23e-12 +.23e-12 .23E-12 +.23E-12 1.e-12 1.E-12 +1.23e-12 +1.23E-12 .123 0.23 .23 +.23 1 +1 1. .1e1 .1E1 1.1 1.2 +1.23 1.23 1.234 2 +2.2 3 4 5 6 1e1 +1.e1 1.e1 1E1 +1.E1 1.E1 11.1 12 21 23 +.23e2 +.23E2 33 111 +111 113 123 2.34e4 2.34E4 +10000000 +10000000. 0.23e12 0.23E12 .23e12 .23E12 1.e12 1.E12 1.1e12 1.1E12 +1.23e12 +1.23E12 1.234e12 1.234E12 1000000000.e1000000000 1000000000.E1000000000 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_076.out0000644000200400020040000000552215112031047027252 0ustar andriusandriusParse tree from tests/cases/Filter_076.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) ConstantFirstComparison(9999) UnorderedConstant(9999) TRUE(9999) TOKEN_67(9999): "TRUE", line: 1, col: 1 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 5 ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 6 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 7 Value(9999) OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 8 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 9 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 10 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 11 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 12 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 13 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 14 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 15 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 16 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 17 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 20 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) ConstantFirstComparison(9999) UnorderedConstant(9999) TRUE(9999) TOKEN_67(9999): "TRUE", line: 1, col: 21 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 25 ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 26 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 27 Value(9999) UnorderedConstant(9999) FALSE(9999) TOKEN_44(9999): "FALSE", line: 1, col: 28 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 33 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_022.out0000644000200400020040000000407015112031047027236 0ustar andriusandriusParse tree from tests/cases/Filter_022.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 1 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 2 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 3 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 4 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 5 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 6 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 7 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 8 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 9 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 10 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 11 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 12 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 13 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 14 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 15 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 16 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 17 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 18 Error: in tests/cases/Filter_022.inp: line 1: unexpected token "UNKNOWN", expected prototype_formula UNKNOWN ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_041.out0000644000200400020040000000472215112031047027243 0ustar andriusandriusParse tree from tests/cases/Filter_041.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 1 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 5 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 6 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 7 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 8 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 9 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 10 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 11 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 19 Error: in tests/cases/Filter_041.inp: line 1: unexpected token "'", expected one of "TRUE", "FALSE", """, "+", "-", "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", ".", "a", "b", "c", "d", "e", "f", "g", "h", "i", "j", "k", "l", "m", "n", "o", "p", "q", "r", "s", "t", "u", "v", "w", "x", "y", "z", or "_" chemical_formula = '42' ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/ebnf_numbers_004.out0000644000200400020040000000171515112031047030461 0ustar andriusandriusParse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 1 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 2 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 3 Digit(9999) TOKEN_10(9999): "6", line: 1, col: 4 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 3 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 4 Digit(9999) TOKEN_10(9999): "6", line: 1, col: 5 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 3 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 4 Digit(9999) TOKEN_10(9999): "6", line: 1, col: 5 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_006.out0000644000200400020040000001504115112031047027240 0ustar andriusandriusParse tree from tests/cases/Filter_006.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 1 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 2 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 3 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_92(9999): "k", line: 1, col: 4 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_103(9999): "v", line: 1, col: 5 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 6 TOKEN_3(9999): """, line: 1, col: 7 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 8 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 9 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 12 ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 13 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) ConstantFirstComparison(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 14 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 15 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 20 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 21 OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 24 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 25 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 26 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_2(9999): "!", line: 1, col: 27 TOKEN_29(9999): "=", line: 1, col: 28 Value(9999) OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 29 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 30 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 31 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_107(9999): "z", line: 1, col: 35 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 36 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 37 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 38 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 39 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 40 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 41 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 42 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/ebnf_numbers_001.out0000644000200400020040000000044015112031047030450 0ustar andriusandriusParse tree from /dev/fd/62: Number(9999) Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 1 Digit(9999) TOKEN_6(9999): "2", line: 1, col: 2 Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 4 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_048.out0000644000200400020040000000527515112031047027256 0ustar andriusandriusParse tree from tests/cases/Filter_048.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 1 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 2 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 5 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 6 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 7 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 8 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 9 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 10 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 11 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 12 LowercaseLetter(9999) TOKEN_103(9999): "v", line: 1, col: 13 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 16 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 17 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 18 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 19 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 20 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 21 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 22 TOKEN_14(9999): ".", line: 1, col: 23 Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 24 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_005.out0000644000200400020040000000171015112031047027235 0ustar andriusandriusParse tree from tests/cases/Filter_005.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 1 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 2 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 3 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 4 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_038.out0000644000200400020040000000364515112031047027254 0ustar andriusandriusParse tree from tests/cases/Filter_038.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 10 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 14 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 15 TOKEN_3(9999): """, line: 1, col: 16 Error: in tests/cases/Filter_038.inp: line 1: unexpected token ":", expected elements HAS "H":6 ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_046.out0000644000200400020040000001336615112031047027254 0ustar andriusandriusParse tree from tests/cases/Filter_046.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 1 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 2 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 3 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 6 OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 7 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 8 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 9 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 10 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 11 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 12 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 13 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 14 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 15 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 16 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 17 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 18 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 19 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 20 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 21 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 22 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 23 LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 24 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 25 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 26 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 27 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 28 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 31 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 32 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 33 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 34 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 35 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 36 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 37 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 38 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 39 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 40 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 41 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 42 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_025.out0000644000200400020040000001146515112031047027247 0ustar andriusandriusParse tree from tests/cases/Filter_025.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 1 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 5 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 6 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 7 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 8 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 9 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 10 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 11 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 KnownOpRhs(9999) IS(9999) TOKEN_49(9999): "IS", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 20 KNOWN(9999) TOKEN_52(9999): "KNOWN", line: 1, col: 21 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 26 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 27 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 30 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 31 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 32 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 33 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 34 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 35 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 36 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 37 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 38 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 39 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 40 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 41 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 42 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 43 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 44 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 45 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 46 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 47 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 48 KnownOpRhs(9999) IS(9999) TOKEN_49(9999): "IS", line: 1, col: 49 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 51 UNKNOWN(9999) TOKEN_69(9999): "UNKNOWN", line: 1, col: 52 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 59 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/pcre_identifiers_001.out0000644000200400020040000000006415112031047031323 0ustar andriusandriusident _ident_ id234 id_id name_1234 __cell_length__ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_033.out0000644000200400020040000003017215112031047027242 0ustar andriusandriusParse tree from tests/cases/Filter_033.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 10 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 14 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 15 TOKEN_3(9999): """, line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 21 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 22 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 23 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 24 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 25 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 26 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 27 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 28 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 29 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 30 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 31 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 ALL(9999) TOKEN_34(9999): "ALL", line: 1, col: 35 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 38 ValueList(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 39 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 40 TOKEN_3(9999): """, line: 1, col: 41 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 42 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 43 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 46 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 47 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 48 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 49 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 50 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 51 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 52 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 53 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 54 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 55 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 56 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 59 ONLY(9999) TOKEN_59(9999): "ONLY", line: 1, col: 60 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 64 ValueList(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 65 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 66 TOKEN_3(9999): """, line: 1, col: 67 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 68 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 69 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 72 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 73 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 74 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 75 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 76 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 77 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 78 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 79 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 80 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 81 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 82 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 85 ANY(9999) TOKEN_36(9999): "ANY", line: 1, col: 86 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 89 ValueList(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 90 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 91 TOKEN_3(9999): """, line: 1, col: 92 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 93 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 94 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 97 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 98 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 99 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 100 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 101 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 102 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 103 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 104 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 105 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 106 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 107 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 110 ONLY(9999) TOKEN_59(9999): "ONLY", line: 1, col: 111 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 115 ValueList(9999) ValueListEntry(9999) Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 116 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 117 TOKEN_3(9999): """, line: 1, col: 118 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_001.out0000644000200400020040000001027215112031047027234 0ustar andriusandriusParse tree from tests/cases/Filter_001.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 1 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 2 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 3 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 5 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 6 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 7 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 10 ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 11 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 12 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 15 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 20 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 21 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 22 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 23 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 24 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 25 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 26 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 27 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/ecma_symops_001.out0000644000200400020040000017457715112031047030351 0ustar andriusandrius+1/2+x,+1/2+y,+1/2+z +1/2+x,+1/2+y,+z 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z-1/4,y+1/4,-x+1/2 z-1/4,y+1/4,-x+1/4 z-1/4,y+1/4,-x-1/4 z-1/4,y-1/4,-x z-1/4,y-1/4,-x+1/4 z-1/4,y-1/4,x-1/4 z-1/4,y-3/4,-x-3/4 z-3/4,-x+1/2,y-1/4 z-3/4,-x,y+1/4 z-3/4,-x,y-3/4 z-3/4,-x-1/2,y-1/4 z-3/4,-y-1/4,-x-3/4 z-3/4,-y-3/4,x-1/4 z-3/4,x+1/4,-y z-3/4,x-1/4,-y-1/2 z-3/4,y-3/4,x-3/4 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_028.out0000644000200400020040000000326515112031047027251 0ustar andriusandriusParse tree from tests/cases/Filter_028.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 LengthOpRhs(9999) LENGTH(9999) TOKEN_54(9999): "LENGTH", line: 1, col: 10 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 16 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 17 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 18 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_002.out0000644000200400020040000000476415112031047027246 0ustar andriusandriusParse tree from tests/cases/Filter_002.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 1 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 2 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 5 Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 6 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 7 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 10 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 14 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 15 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 16 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 17 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 18 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_078.out0000644000200400020040000000525515112031047027257 0ustar andriusandriusParse tree from tests/cases/Filter_078.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 1 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 5 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 6 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 7 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 8 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 9 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 10 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 11 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 12 LowercaseLetter(9999) TOKEN_103(9999): "v", line: 1, col: 13 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 16 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 17 LowercaseLetter(9999) TOKEN_85(9999): "d", line: 1, col: 18 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 19 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 20 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 21 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 22 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 23 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 24 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 25 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 26 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 27 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 28 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_007.out0000644000200400020040000003153215112031047027244 0ustar andriusandriusParse tree from tests/cases/Filter_007.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 1 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 2 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 3 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 5 TOKEN_29(9999): "=", line: 1, col: 6 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 7 OrderedValue(9999) OrderedConstant(9999) Number(9999) Sign(9999) TOKEN_11(9999): "+", line: 1, col: 8 TOKEN_14(9999): ".", line: 1, col: 9 Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 10 Exponent(9999) TOKEN_86(9999): "e", line: 1, col: 11 Digits(9999) Digit(9999) TOKEN_24(9999): "8", line: 1, col: 12 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 16 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 17 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 18 Digit(9999) TOKEN_17(9999): "1", line: 1, col: 19 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 20 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 21 TOKEN_29(9999): "=", line: 1, col: 22 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 23 OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 24 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_64(9999): "S", line: 1, col: 25 EscapedChar(9999) UnescapedChar(9999) UnicodeHighChar(9999) SPECIAL_5(9999): "ą", line: 1, col: 26 EscapedChar(9999) UnescapedChar(9999) UnicodeHighChar(9999) SPECIAL_5(9999): "ž", line: 1, col: 27 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 28 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 29 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 30 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 31 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_88(9999): "g", line: 1, col: 32 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 33 EscapedChar(9999) UnescapedChar(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 EscapedChar(9999) UnescapedChar(9999) UnicodeHighChar(9999) SPECIAL_5(9999): "ž", line: 1, col: 35 EscapedChar(9999) UnescapedChar(9999) UnicodeHighChar(9999) SPECIAL_5(9999): "ą", line: 1, col: 36 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 37 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 38 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 39 TOKEN_3(9999): """, line: 1, col: 40 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 41 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 42 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 45 ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 46 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 49 OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 50 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 51 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 52 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 53 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_2(9999): "!", line: 1, col: 54 TOKEN_29(9999): "=", line: 1, col: 55 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 56 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 57 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_64(9999): "S", line: 1, col: 58 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 59 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 60 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 61 EscapedChar(9999) UnescapedChar(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 62 EscapedChar(9999) TOKEN_77(9999): "\", line: 1, col: 63 TOKEN_77(9999): "\", line: 1, col: 64 EscapedChar(9999) UnescapedChar(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 65 EscapedChar(9999) TOKEN_77(9999): "\", line: 1, col: 66 TOKEN_3(9999): """, line: 1, col: 67 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 68 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 69 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 70 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 71 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 72 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_88(9999): "g", line: 1, col: 73 EscapedChar(9999) TOKEN_77(9999): "\", line: 1, col: 74 TOKEN_3(9999): """, line: 1, col: 75 TOKEN_3(9999): """, line: 1, col: 76 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 77 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 78 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 79 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/pcre_numbers_005.out0000644000200400020040000000036115112031047030475 0ustar andriusandrius++1.23E-12(3) --11.1 11.1A 1A.X 1.23E+++ 1,123(23) 1...0 .123.E12 1.234E12(1.2) 1.234D12((12))) 1.234D12((12)) 1.234D12(+-12) +++ --- . ... + +1E +1EE1 --1E1 -1-E1 1.1E12(-1) ? AAA (12) -. +. .E1 -.E1 +.E2 -.1E(1) +2.2E(2) '1.1' "2.34E4(3)" OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_042.out0000644000200400020040000005036315112031047027246 0ustar andriusandriusParse tree from tests/cases/Filter_042.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 1 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 5 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 6 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 7 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 8 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 9 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 10 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 11 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 19 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 20 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 21 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 22 TOKEN_3(9999): """, line: 1, col: 23 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 24 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 25 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 28 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 29 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 30 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 31 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 32 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 33 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 34 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 35 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 36 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 37 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 38 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 39 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 40 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 41 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 42 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 43 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 44 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 45 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 46 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 47 OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 48 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 49 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 50 TOKEN_3(9999): """, line: 1, col: 51 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 52 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 53 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 56 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 57 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 58 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 59 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 60 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 61 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 62 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 63 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 64 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 65 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 66 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 67 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 68 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 69 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 70 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 71 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 72 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 73 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 74 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 75 OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 76 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 77 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 78 TOKEN_3(9999): """, line: 1, col: 79 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 80 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 81 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 84 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 85 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 86 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 87 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 88 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 89 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 90 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 91 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 92 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 93 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 94 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 95 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 96 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 97 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 98 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 99 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 100 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 101 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 102 TOKEN_29(9999): "=", line: 1, col: 103 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 104 OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 105 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 106 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 107 TOKEN_3(9999): """, line: 1, col: 108 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 109 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 110 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 113 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 114 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 115 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 116 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 117 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 118 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 119 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 120 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 121 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 122 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 123 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 124 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 125 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 126 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 127 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 128 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 129 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 130 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 131 TOKEN_29(9999): "=", line: 1, col: 132 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 133 OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 134 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 135 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 136 TOKEN_3(9999): """, line: 1, col: 137 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 138 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 139 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 142 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 143 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 144 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 145 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 146 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 147 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 148 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 149 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 150 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 151 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 152 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 153 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 154 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 155 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 156 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 157 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 158 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 159 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_2(9999): "!", line: 1, col: 160 TOKEN_29(9999): "=", line: 1, col: 161 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 162 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 163 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 164 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 165 TOKEN_3(9999): """, line: 1, col: 166 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_027.out0000644000200400020040000000425615112031047027251 0ustar andriusandriusParse tree from tests/cases/Filter_027.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 LengthOpRhs(9999) LENGTH(9999) TOKEN_54(9999): "LENGTH", line: 1, col: 10 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 16 Operator(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 17 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 18 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 19 EscapedChar(9999) UnescapedChar(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 20 EscapedChar(9999) UnescapedChar(9999) Digit(9999) TOKEN_18(9999): "2", line: 1, col: 21 TOKEN_3(9999): """, line: 1, col: 22 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_011.out0000644000200400020040000001041415112031047027233 0ustar andriusandriusParse tree from tests/cases/Filter_011.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 1 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 2 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 3 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 6 OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 7 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 8 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 9 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 10 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 11 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 12 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 21 OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 22 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 23 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 24 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 25 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 26 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 27 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 28 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 29 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 30 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_032.out0000644000200400020040000000336415112031047027244 0ustar andriusandriusParse tree from tests/cases/Filter_032.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 10 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 Error: in tests/cases/Filter_032.inp: line 1: unexpected token "IS", expected one of "TRUE", "FALSE", """, "+", "-", "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", ".", "a", "b", "c", "d", "e", "f", "g", "h", "i", "j", "k", "l", "m", "n", "o", "p", "q", "r", "s", "t", "u", "v", "w", "x", "y", "z", "_", "!", "=", "<", ">", "CONTAINS", "STARTS", "ENDS", "ALL", "ANY", or "ONLY" elements HAS IS "H" ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_073.out0000644000200400020040000002163115112031047027246 0ustar andriusandriusParse tree from tests/cases/Filter_073.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 1 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 2 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 3 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 4 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 5 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 6 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 7 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 Value(9999) UnorderedConstant(9999) TRUE(9999) TOKEN_67(9999): "TRUE", line: 1, col: 10 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 15 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 19 ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 20 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 21 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 22 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 23 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 24 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 25 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 26 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 27 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 28 Value(9999) UnorderedConstant(9999) FALSE(9999) TOKEN_44(9999): "FALSE", line: 1, col: 29 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 34 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 35 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 36 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 37 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 39 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 40 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 41 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 42 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 43 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 44 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 45 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 46 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_2(9999): "!", line: 1, col: 47 TOKEN_29(9999): "=", line: 1, col: 48 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 49 Value(9999) UnorderedConstant(9999) TRUE(9999) TOKEN_67(9999): "TRUE", line: 1, col: 50 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 54 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 55 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 56 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 59 ExpressionClause(9999) ExpressionPhrase(9999) OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 60 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 61 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 62 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 63 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 64 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 65 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 66 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_2(9999): "!", line: 1, col: 67 TOKEN_29(9999): "=", line: 1, col: 68 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 69 Value(9999) UnorderedConstant(9999) FALSE(9999) TOKEN_44(9999): "FALSE", line: 1, col: 70 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 75 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 76 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 77 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_029.out0000644000200400020040000000326215112031047027247 0ustar andriusandriusParse tree from tests/cases/Filter_029.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 LengthOpRhs(9999) LENGTH(9999) TOKEN_54(9999): "LENGTH", line: 1, col: 10 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 16 Error: in tests/cases/Filter_029.inp: line 1: unexpected token "IS", expected one of "TRUE", "FALSE", """, "+", "-", "0", "1", "2", "3", "4", "5", "6", "7", "8", "9", ".", "a", "b", "c", "d", "e", "f", "g", "h", "i", "j", "k", "l", "m", "n", "o", "p", "q", "r", "s", "t", "u", "v", "w", "x", "y", "z", or "_" elements LENGTH IS 42 ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_023.out0000644000200400020040000000233215112031047027236 0ustar andriusandriusParse tree from tests/cases/Filter_023.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 1 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 5 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 6 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 7 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 Error: in tests/cases/Filter_023.inp: line 1: unexpected token "f", expected chemical formula IS KNOWN 42 ^ OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/pcre_numbers_002.out0000644000200400020040000000002115112031047030463 0ustar andriusandrius3456 -3456 +3456 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_080.out0000644000200400020040000001114115112031047027237 0ustar andriusandriusParse tree from tests/cases/Filter_080.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 1 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 2 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 3 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 4 SetZipOpRhs(9999) PropertyZipAddon(9999) Colon(9999) TOKEN_26(9999): ":", line: 1, col: 5 Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 6 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 7 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 8 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 9 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 10 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 11 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 12 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 ValueZip(9999) ValueListEntry(9999) FuzzyStringOpRhs(9999) STARTS(9999) TOKEN_65(9999): "STARTS", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 24 WITH(9999) TOKEN_72(9999): "WITH", line: 1, col: 25 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 29 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 30 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_50(9999): "J", line: 1, col: 31 TOKEN_3(9999): """, line: 1, col: 32 Colon(9999) TOKEN_26(9999): ":", line: 1, col: 33 ValueListEntry(9999) FuzzyStringOpRhs(9999) CONTAINS(9999) TOKEN_39(9999): "CONTAINS", line: 1, col: 34 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 42 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 43 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_40(9999): "D", line: 1, col: 44 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 45 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 46 TOKEN_3(9999): """, line: 1, col: 47 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 48 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_040.out0000644000200400020040000000474315112031047027245 0ustar andriusandriusParse tree from tests/cases/Filter_040.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 1 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 5 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 6 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 7 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 8 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 9 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 10 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 11 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 12 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 13 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 14 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 15 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 19 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 20 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 21 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_059.out0000644000200400020040000001426715112031047027261 0ustar andriusandriusParse tree from tests/cases/Filter_059.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 1 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 2 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 3 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 4 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 5 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 6 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 7 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 8 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 9 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 10 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 11 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 12 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 13 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 14 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 15 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 16 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 17 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 18 FuzzyStringOpRhs(9999) CONTAINS(9999) TOKEN_39(9999): "CONTAINS", line: 1, col: 19 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 27 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 28 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_38(9999): "C", line: 1, col: 29 EscapedChar(9999) UnescapedChar(9999) Digit(9999) TOKEN_18(9999): "2", line: 1, col: 30 TOKEN_3(9999): """, line: 1, col: 31 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 32 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 33 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 36 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 37 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 38 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 39 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 40 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 41 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 42 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 43 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 44 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 45 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 46 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 47 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 48 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 49 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 50 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 51 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 52 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 53 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 54 FuzzyStringOpRhs(9999) STARTS(9999) TOKEN_65(9999): "STARTS", line: 1, col: 55 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 61 WITH(9999) TOKEN_72(9999): "WITH", line: 1, col: 62 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 66 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 67 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 68 EscapedChar(9999) UnescapedChar(9999) Digit(9999) TOKEN_18(9999): "2", line: 1, col: 69 TOKEN_3(9999): """, line: 1, col: 70 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_053.out0000644000200400020040000000725415112031047027251 0ustar andriusandriusParse tree from tests/cases/Filter_053.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 1 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 2 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 3 TOKEN_29(9999): "=", line: 1, col: 4 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 5 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 6 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 7 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 11 ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 12 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 15 Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 16 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 19 OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 20 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 21 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 22 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 24 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 25 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 26 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 27 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 28 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_16(9999): "0", line: 1, col: 29 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_061.out0000644000200400020040000000676215112031047027253 0ustar andriusandriusParse tree from tests/cases/Filter_061.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 1 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 2 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 5 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 6 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 9 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 10 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 11 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 12 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 13 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 14 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 15 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 16 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 17 LowercaseLetter(9999) TOKEN_88(9999): "g", line: 1, col: 18 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 19 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 20 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 21 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 22 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 23 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 24 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 25 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 26 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 27 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 28 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 29 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 30 Value(9999) OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_20(9999): "4", line: 1, col: 31 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 32 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_009.out0000644000200400020040000002130115112031047027237 0ustar andriusandriusParse tree from tests/cases/Filter_009.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 1 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 2 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 3 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 5 TOKEN_29(9999): "=", line: 1, col: 6 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 7 OrderedValue(9999) OrderedConstant(9999) Number(9999) Sign(9999) TOKEN_11(9999): "+", line: 1, col: 8 TOKEN_14(9999): ".", line: 1, col: 9 Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 10 Exponent(9999) TOKEN_86(9999): "e", line: 1, col: 11 Digits(9999) Digit(9999) TOKEN_24(9999): "8", line: 1, col: 12 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 16 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 17 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 18 Digit(9999) TOKEN_17(9999): "1", line: 1, col: 19 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 20 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 21 TOKEN_29(9999): "=", line: 1, col: 22 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 23 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 24 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 25 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 26 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 27 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 30 ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 31 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 35 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 36 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 37 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 38 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_2(9999): "!", line: 1, col: 39 TOKEN_29(9999): "=", line: 1, col: 40 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 41 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 42 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_64(9999): "S", line: 1, col: 43 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 44 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 45 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 46 EscapedChar(9999) UnescapedChar(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 47 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 48 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 49 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 50 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 51 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 52 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_88(9999): "g", line: 1, col: 53 TOKEN_3(9999): """, line: 1, col: 54 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 55 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 56 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 57 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_082.out0000644000200400020040000000545715112031047027256 0ustar andriusandriusParse tree from tests/cases/Filter_082.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 1 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 2 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 3 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 4 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 5 LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 6 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 7 LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 8 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 9 SetOpRhs(9999) HAS(9999) TOKEN_47(9999): "HAS", line: 1, col: 10 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 ALL(9999) TOKEN_34(9999): "ALL", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 17 ValueList(9999) ValueListEntry(9999) FuzzyStringOpRhs(9999) STARTS(9999) TOKEN_65(9999): "STARTS", line: 1, col: 18 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 24 WITH(9999) TOKEN_72(9999): "WITH", line: 1, col: 25 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 29 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 30 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_64(9999): "S", line: 1, col: 31 TOKEN_3(9999): """, line: 1, col: 32 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 33 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_045.out0000644000200400020040000003640515112031047027252 0ustar andriusandriusParse tree from tests/cases/Filter_045.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 1 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 5 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 6 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 7 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 8 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 9 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 10 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 11 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 12 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 13 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 14 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 15 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 16 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 17 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 18 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 19 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 20 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 21 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 22 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 23 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 24 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 25 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 26 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 27 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 28 TOKEN_3(9999): """, line: 1, col: 29 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 30 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 31 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 35 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 36 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 37 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 38 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 39 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 40 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 41 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 42 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 43 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 44 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 45 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 46 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 47 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 48 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 49 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 50 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 51 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 52 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 53 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 54 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 55 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_33(9999): "A", line: 1, col: 56 TOKEN_3(9999): """, line: 1, col: 57 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 58 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 59 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 61 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 62 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 63 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 64 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 65 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 66 LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 67 LowercaseLetter(9999) TOKEN_106(9999): "y", line: 1, col: 68 LowercaseLetter(9999) TOKEN_97(9999): "p", line: 1, col: 69 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 70 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 71 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 72 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 73 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 74 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 75 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 76 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 77 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 78 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 79 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 80 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 81 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 82 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_46(9999): "H", line: 1, col: 83 EscapedChar(9999) UnescapedChar(9999) Digit(9999) TOKEN_18(9999): "2", line: 1, col: 84 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_58(9999): "O", line: 1, col: 85 TOKEN_3(9999): """, line: 1, col: 86 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 87 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 88 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 91 ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 92 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 95 Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 96 LowercaseLetter(9999) TOKEN_89(9999): "h", line: 1, col: 97 LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 98 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 99 LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 100 LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 101 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 102 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 103 LowercaseLetter(9999) TOKEN_80(9999): "_", line: 1, col: 104 LowercaseLetter(9999) TOKEN_87(9999): "f", line: 1, col: 105 LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 106 LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 107 LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 108 LowercaseLetter(9999) TOKEN_102(9999): "u", line: 1, col: 109 LowercaseLetter(9999) TOKEN_93(9999): "l", line: 1, col: 110 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 111 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 112 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 113 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 114 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 115 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_66(9999): "T", line: 1, col: 116 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 117 TOKEN_3(9999): """, line: 1, col: 118 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 119 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 120 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/pcre_symops_003.out0000644000200400020040000000005415112031047030351 0ustar andriusandriusx,y,z -x,y,-z x+1/2,y+1/2,z -x+1/2,y+1/2,-z OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/ebnf_numbers_005.out0000644000200400020040000005464415112031047030473 0ustar andriusandriusParse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 6 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 8 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 9 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 10 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 11 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 12 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 6 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 8 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 9 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 10 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 11 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 12 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 7 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 8 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 9 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 10 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 11 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 6 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 8 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 9 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 10 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 11 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 6 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 8 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 9 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 10 Sign(9999) TOKEN_1(9999): "+", line: 1, col: 11 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 12 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 6 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 8 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 9 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 10 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 11 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 6 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 7 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 8 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 9 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 10 Sign(9999) TOKEN_1(9999): "+", line: 1, col: 11 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 12 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 7 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 8 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 9 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 10 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 7 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 8 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 9 Sign(9999) TOKEN_1(9999): "+", line: 1, col: 10 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 11 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 7 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 8 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 7 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 8 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 6 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 7 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 6 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 7 TOKEN_3(9999): ".", line: 1, col: 8 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 9 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 10 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 11 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 12 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 13 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 14 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 15 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 6 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 7 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 8 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 9 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 10 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 11 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 12 Digit(9999) TOKEN_4(9999): "0", line: 1, col: 13 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 14 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 7 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 8 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 9 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 10 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 11 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 TOKEN_3(9999): ".", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 7 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 8 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 9 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 10 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 11 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 12 Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 6 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 7 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 8 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 9 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 10 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 7 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 8 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 9 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 10 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 11 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 TOKEN_3(9999): ".", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 7 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 8 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 9 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 10 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 11 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 12 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 1 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_8(9999): "4", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 6 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 7 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 8 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 9 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 10 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 11 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 6 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 7 TOKEN_3(9999): ".", line: 1, col: 8 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 9 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 10 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 11 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 12 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 6 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 7 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 8 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 9 Digits(9999) Digit(9999) TOKEN_4(9999): "0", line: 1, col: 10 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 11 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 7 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 8 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 9 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 10 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 7 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 8 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 9 Sign(9999) TOKEN_1(9999): "+", line: 1, col: 10 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 11 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_2(9999): "-", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 TOKEN_3(9999): ".", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 7 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 8 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 9 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 10 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 11 Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 6 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 7 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 8 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 9 Parse tree from /dev/fd/63: Number(9999) TOKEN_3(9999): ".", line: 1, col: 1 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 2 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 6 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 7 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 8 Sign(9999) TOKEN_1(9999): "+", line: 1, col: 9 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 10 Parse tree from /dev/fd/63: Number(9999) Sign(9999) TOKEN_1(9999): "+", line: 1, col: 1 TOKEN_3(9999): ".", line: 1, col: 2 Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 3 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 4 Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 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Digit(9999) TOKEN_5(9999): "1", line: 1, col: 3 TOKEN_3(9999): ".", line: 1, col: 4 Digits(9999) Digit(9999) TOKEN_8(9999): "4", line: 1, col: 5 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 6 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 7 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 8 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 9 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 10 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, col: 11 Parse tree from /dev/fd/63: Number(9999) Digits(9999) Digit(9999) TOKEN_7(9999): "3", line: 1, col: 1 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 2 TOKEN_3(9999): ".", line: 1, col: 3 Digits(9999) Digit(9999) TOKEN_8(9999): "4", line: 1, col: 4 Digit(9999) TOKEN_5(9999): "1", line: 1, col: 5 Digit(9999) TOKEN_9(9999): "5", line: 1, col: 6 Digit(9999) TOKEN_13(9999): "9", line: 1, col: 7 Exponent(9999) TOKEN_14(9999): "E", line: 1, col: 8 Sign(9999) TOKEN_2(9999): "-", line: 1, col: 9 Digits(9999) Digit(9999) TOKEN_5(9999): "1", line: 1, 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OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/tests/outputs/Filter_004.out0000644000200400020040000002446715112031047027252 0ustar andriusandriusParse tree from tests/cases/Filter_004.inp: Filter(9999) Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 1 LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 2 LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 3 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 4 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_28(9999): "<", line: 1, col: 5 TOKEN_29(9999): "=", line: 1, col: 6 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 7 OrderedValue(9999) OrderedConstant(9999) Number(9999) Sign(9999) TOKEN_11(9999): "+", line: 1, col: 8 TOKEN_14(9999): ".", line: 1, col: 9 Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 10 Exponent(9999) TOKEN_86(9999): "e", line: 1, col: 11 Digits(9999) Digit(9999) TOKEN_24(9999): "8", line: 1, col: 12 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 13 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 14 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 16 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_84(9999): "c", line: 1, col: 17 Digit(9999) TOKEN_18(9999): "2", line: 1, col: 18 Digit(9999) TOKEN_17(9999): "1", line: 1, col: 19 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 20 ValueOpRhs(9999) ValueRelCompRhs(9999) RelativeComparisonOperator(9999) TOKEN_30(9999): ">", line: 1, col: 21 TOKEN_29(9999): "=", line: 1, col: 22 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 23 OrderedValue(9999) OrderedConstant(9999) Number(9999) Digits(9999) Digit(9999) TOKEN_17(9999): "1", line: 1, col: 24 Digit(9999) TOKEN_16(9999): "0", line: 1, col: 25 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 26 AND(9999) TOKEN_35(9999): "AND", line: 1, col: 27 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 30 ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 31 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 34 OpeningBrace(9999) TOKEN_8(9999): "(", line: 1, col: 35 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 36 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_105(9999): "x", line: 1, col: 37 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 38 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_2(9999): "!", line: 1, col: 39 TOKEN_29(9999): "=", line: 1, col: 40 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 41 Value(9999) OrderedValue(9999) OrderedConstant(9999) String(9999) TOKEN_3(9999): """, line: 1, col: 42 EscapedChar(9999) UnescapedChar(9999) Letter(9999) UppercaseLetter(9999) TOKEN_64(9999): "S", line: 1, col: 43 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_96(9999): "o", line: 1, col: 44 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_94(9999): "m", line: 1, col: 45 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_86(9999): "e", line: 1, col: 46 EscapedChar(9999) UnescapedChar(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 47 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_100(9999): "s", line: 1, col: 48 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_101(9999): "t", line: 1, col: 49 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_99(9999): "r", line: 1, col: 50 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_90(9999): "i", line: 1, col: 51 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_95(9999): "n", line: 1, col: 52 EscapedChar(9999) UnescapedChar(9999) Letter(9999) LowercaseLetter(9999) TOKEN_88(9999): "g", line: 1, col: 53 TOKEN_3(9999): """, line: 1, col: 54 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 55 OR(9999) TOKEN_60(9999): "OR", line: 1, col: 56 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 58 Expression(9999) ExpressionClause(9999) ExpressionPhrase(9999) NOT(9999) TOKEN_57(9999): "NOT", line: 1, col: 59 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 62 Comparison(9999) PropertyFirstComparison(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_82(9999): "a", line: 1, col: 63 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 64 ValueOpRhs(9999) ValueEqRhs(9999) EqualityOperator(9999) TOKEN_29(9999): "=", line: 1, col: 65 Spaces(9999) Space(9999) TOKEN_1(9999): " ", line: 1, col: 66 Value(9999) OrderedValue(9999) Property(9999) Identifier(9999) LowercaseLetter(9999) TOKEN_83(9999): "b", line: 1, col: 67 ClosingBrace(9999) TOKEN_9(9999): ")", line: 1, col: 68 Spaces(9999) Space(9999) nl(9999) SPECIAL_1(9999): "(...)", line: 1, col: 69 OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/GNUmakefile0000644000200400020040000001141415112031047024062 0ustar andriusandrius#---*- Makefile -*------------------------------------------------------- # # This is the makefile for the OPTIMADE specification # It contains targets for creating formatted documents, # auditing / testing the specification documents, # and a few other helpers. # # # Targets for formatted documents ################################# # # - html: renders a html version of the specification # - pdf: renders a pdf version of the specification # # # Targets for helpers for misc tasks #################################### # # - spell: runs an interactive spellchecker # # # Targets for generating schemas ################################ # # - schemas # # compile YAML-formatted source files for schemas, # including property definitions, units, and constants # in the schemas/src directory into JSON schema format # placed in the output directory: schemas/output # # parameters: # - schemas_html_pretty=true applies OPTIMADE styling to the html output # - schemas_html_ext=true generates html files with .html extensions also # for files meant to be served without extensions, which is useful # for hosting, e.g., on GitHub that automatically redirects URLs without extensions. # # For documentation pages hosted on schema.optimade.org use: # make schemas schemas_html_pretty=true schemas_html_ext=true # # # Extracting machine-readable parts of the specification ######################################################## # # - tests/generated/.: extracts the corresponding # part from the specification document and places the result # in the target file. # # The following such targets exist: # - tests/generated/Filter.ebnf # - tests/generated/Number.ebnf # - tests/generated/identifiers.pcre # - tests/generated/numbers.pcre # - tests/generated/strings.pcre # - tests/generated/identifiers.ere # - tests/generated/numbers.ere # - tests/generated/strings.ere # - tests/generated/symops.pcre # - tests/generated/symop_definitions.pcre # - tests/generated/symops.ecma # # # Targets for testing / auditing the specification ################################################## # # Note: the distinction of 'test'-type and 'audit'-type targets is: # # - A 'test' target returns successfully if the test # could run, even if the test failed. # - An 'audit' target returns unsuccessfully if the test fails. # # These are the targets: # # - audit: runs the full suite of audit targets # # - docker_audit: dynamically builds a docker image and # runs the full suite of audit targets inside it. # # - docker_rebuild_grammar_tests: dynamically builds a docker image # which is then used to reinitialize the "out" files that record # how the grammar parses example inputs, which will then be used # for future grammar audits. # # - audit_grammar: audits the filter language grammar included # in the specification # # - audit_authors: audits the AUTHORS file # # - audit_spelling: presently a placeholder where we will add audit # of the spelling of the specification # # - tests: runs the grammar tests # # - test_authors: runs tests on the AUTHORS file (checks order) # # # Furthermore, there are some more granular targets specifically for # testing the grammar. # # A typical interaction with the grammar test system runs tests in a # test directory (tests/cases by default) and report if all tests # pass. # USAGE: # make clean # make distclean # make tests # make # make run # make run TEXT_TO_PARSE=filter.txt # make run TEXT_TO_PARSE=filter.txt GRAMMAR=grammars/filters.ebnf #------------------------------------------------------------------------------ # Include local configuration files from this directory: MAKEFILE_DIR = tests/makefiles MAKECONF_EXAMPLES = ${wildcard ${MAKEFILE_DIR}/Makeconf*.example} MAKECONF_FILES = \ $(sort \ ${filter-out %.example, \ ${filter-out %~, ${wildcard ${MAKEFILE_DIR}/Makeconf*}}} \ ${MAKECONF_EXAMPLES:%.example=%} \ ) ifneq ("${MAKECONF_FILES}","") include ${MAKECONF_FILES} endif TOOL_DIR ?= tests/tools PATH := ${PATH}:${TOOL_DIR} # Make local customisable Makeconfig files: Makecon%: Makecon%.example test -f $@ || cp -v $< $@ test -f $@ && touch $@ #------------------------------------------------------------------------------ .PHONY: all all: #------------------------------------------------------------------------------ # Include Makefiles with additional rules for this directory: MAKELOCAL_FILES = ${filter-out %~, ${wildcard ${MAKEFILE_DIR}/Makelocal*}} ifneq ("${MAKELOCAL_FILES}","") include ${MAKELOCAL_FILES} endif #------------------------------------------------------------------------------ .PHONY: clean distclean cleanAll clean: distclean cleanAll: clean ${DISTCLEAN_TARGETS} OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/dependencies/0000775000200400020040000000000015112031047024437 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/dependencies/installers/0000775000200400020040000000000015112031047026617 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/dependencies/installers/Debian-10/0000775000200400020040000000000015112031047030217 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/dependencies/installers/Debian-10/install.sh0000755000200400020040000000053015112031047032220 0ustar andriusandrius#! /bin/sh sudo apt-get install -y \ ant \ default-jdk \ docutils-common \ make \ patch \ python3-mdx-math \ unzip \ ; # Required by the 'optimade-property-tools' submodule sudo apt-get install -y \ python3-jsonschema \ python3-markdown \ python3-mdx-math \ python3-pygments \ python3-yaml \ ; OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/AUTHORS0000644000200400020040000000341115112031047023056 0ustar andriusandriusThe OPTIMADE API has been developed with contributions by the participants of the workshops "Open Database Integration for Materials Design", held at: - the Lorentz Center in Leiden, Netherlands from 2016-10-24 to 2016-10-28 - the CECAM in Lausanne, Switzerland from 2018-06-11 to 2018-06-15 - the CECAM in Lausanne, Switzerland from 2019-06-11 to 2019-06-14 - the CECAM in Lausanne, Switzerland (virtually) 2020-06-08 to 2020-06-12 - the CECAM in Lausanne, Switzerland (virtually) 2021-06-07 to 2021-06-11 - the CECAM in Lausanne, Switzerland 2022-05-30 to 2022-06-03 - the CECAM in Lausanne, Switzerland 2023-06-05 to 2023-06-09 Initial and major contributors to the development of the OPTIMADE specification and implementation in alphabetical order: Casper Andersen Oskar Andersson Thomas Archer Rickard Armiento Rossella Aversa Daniel Beltrán Johan Bergsma Evgeny Blokhin Tara Boland Sara Bonella Kamal Choudhary Pauline Colinet Gareth Conduit Stefano Curtarolo Davide Di Stefano Alexander Dorsk Claudia Draxl Shyam Dwaraknath Kristjan Eimre Suleyman Er Marco Esters Matthew Evans Ádám Fekete Marco Fornari Matteo Giantomassi Abhijith Gopakumar Marco Govoni Saulius Gražulis Geoffroy Hautier Vinay Hegde Matthew Horton Patrick Huck Georg Huhs Jens Hummelshoej Karsten W. Jacobsen Ankit Kariryaa Boris Kozinsky Adam Krajewski Snehal Kumbhar Mohan Liu Zi-Kui Liu Nicola Marzari Andrius Merkys Fawzi Mohamed Jens Jørgen Mortensen Andrew Morris Arash Mostofi Corey Oses Kristin Persson Guido Petretto Giovanni Pizzi Thomas Purcell Francesco Ricci Gian-Marco Rignanese Frisco Rose Matthias Scheffler Markus Scheidgen Daniel Speckhard Leopold Talirz Cormac Toher Martin Uhrin Antanas Vaitkus Pierre Villars David Waroquiers Donald Winston Chris Wolverton Michael Wu Yibin Xu Xiaoyu Yang Jusong Yu OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/README.md0000644000200400020040000000741715112031047023277 0ustar andriusandrius

The OPTIMADE Specification

The Open Databases Integration for Materials Design (OPTIMADE) consortium aims to make materials databases interoperational by developing a common REST API. This repository contains the specification of the OPTIMADE API. * [optimade.rst](optimade.rst): The API specification document. * [optimade.org/specification](https://www.optimade.org/specification): HTML builds of the different specification versions. * [schemas.optimade.org](https://schemas.optimade.org): Machine-readable schemas for property and server definitions. * [AUTHORS](AUTHORS): List of contributors. * [CHANGELOG](CHANGELOG.md): The release notes for each version of the specification. * [optimade.org](https://www.optimade.org): Public OPTIMADE web site * [OPTIMADE wiki](https://github.com/Materials-Consortia/OPTIMADE/wiki): Information for developers ## For developers The [master branch of the repository](https://github.com/Materials-Consortia/OPTIMADE/tree/master) is at the latest release or pre-release version of the specification. Versions without a version number suffix (alpha, beta, release candidates and similar) indicate a stable release. The [develop branch of the repository](https://github.com/Materials-Consortia/OPTIMADE/tree/develop) contains the present in-development version of the specification. API and client implementations are encouraged to support the latest release or pre-release of the specification. If this is a pre-release, implementations are also encouraged to support the latest stable release. ## Licensing of the unit definitions database `definitions.units` The OPTIMADE standard refers to a specific version of the `definitions.units` database included with the source distribution of GNU Units. This file is included in the OPTIMADE repository under the subdirectory [external/GNU_Units](external/GNU_Units). The file is licensed separately from other files in the repository: it is available under the GNU General Public License (GPL). Full information on how the file is licensed is available in the [header of the file](external/GNU_Units/definitions.units) and the license file included in that directory, [COPYING](external/GNU_Units/COPYING). The following does not constitute legal advice; however, we believe implementations under other licenses can use this file if: - The file is distributed separated from other source files in a way that makes it clear that it is part of the GNU Units software and is licensed under the GPL. (For example, as done in this repository: in a separate subdirectory with its own readme and license files.) - The software reads the file during program execution, e.g., at startup (as opposed to, e.g., having the file compiled or linked into a binary program distributed to end users). Alternatively, the software using the file could itself be licensed in a way compatible with the GNU GPL. ## How to cite If you use OPTIMADE to access or host data, we kindly ask that you cite our papers accompanying the version 1.0 and 1.2 releases: - Andersen *et al*, OPTIMADE, an API for exchanging materials data, *Sci. Data* **8**, 217 (2021) [10.1038/s41597-021-00974-z](https://doi.org/10.1038/s41597-021-00974-z) - Evans *et al*, Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange, *Digital Discovery* (2024) [10.1039/D4DD00039K](https://doi.org/10.1039/D4DD00039K) To cite an individual version of the specification, please use the versioned records on Zenodo: - Andersen *et al*, The OPTIMADE Specification, *Zenodo*, [10.5281/zenodo.4195050](https://doi.org/10.5281/zenodo.4195050) OPTIMADE-PropertyDefinitions-0.1.0/externals/OPTIMADE/CHANGELOG.md0000644000200400020040000002110115112031047023613 0ustar andriusandrius# Changelog ## v1.2.0 (June 2024) This release adds significant but optional new functionality to the specification; it also provides several clarifications to existing behaviour. Minor OPTIMADE releases are always intended to be backwards-compatible for clients, meaning that any client code written for v1.1 should continue to work. Although the majority of features added in this release are optional for servers, there are a couple of mandatory format additions that are discussed below in the notes for implementations. We have clarified our approach to versioning explicitly in the specification under [Versioning of this standard](https://github.com/Materials-Consortia/OPTIMADE/blob/v1.2.0/optimade.rst#versioning-of-this-standard). For a more academic summary of the changes, please see our paper: [10.1039/D4DD00039K](https://doi.org/10.1039/D4DD00039K). In addition to the specification document itself, machine-readable schemas from this repository can now be found hosted at [schemas.optimade.org](https:///schemas.optimade.org), and HTML builds of the specification can be found at [specification.optimade.org](https://specification.optimade.org). ### New features - **Property definitions** ([#376](https://github.com/Materials-Consortia/OPTIMADE/pull/376)): A new section titled [Property Definitions](https://github.com/Materials-Consortia/OPTIMADE/blob/v1.2.0/optimade.rst#property-definitions) has been added to the specification which significantly extends the way in which implementations can define and describe the custom properties they serve, including URIs, unit definitions, API support levels (for querying and sorting) as well as full support for JSON Schema constructs for describing the JSON representation of the property. These definitions form the basis of a new machine-readable form of the OPTIMADE specification found in the main repository and served at [schemas.optimade.org](https://schemas.optimade.org). - **Namespace prefixes for definitions** ([#473](https://github.com/Materials-Consortia/OPTIMADE/pull/473)): The mechanism for providers to define custom properties under their own namespace/prefix has been extended to allow implementations to share common definitions. These so-called definition namespaces can be registered as providers in their own right and can serve property definitions in the new format. - **Partial data** ([#467](https://github.com/Materials-Consortia/OPTIMADE/pull/467)): Adds a mechanism and format for streaming, paginating or slicing individual properties within entries. - **Per entry/property metadata** ([#463](https://github.com/Materials-Consortia/OPTIMADE/pull/463)): Added a mechanism for providing metadata specific to a given entry or property. - **Files endpoint** ([#360](https://github.com/Materials-Consortia/OPTIMADE/pull/360)): The [`files` entry type](https://github.com/Materials-Consortia/OPTIMADE/blob/v1.2.0/optimade.rst#files-entries) has been added to provide a robust way of linking entries to arbitrary file-based data relevant to the entry, such as alternative crystal structure representation formats, input or output files from computational procedures, or experimental data files. - **Symmetry operation specification and space group fields** ([#480](https://github.com/Materials-Consortia/OPTIMADE/pull/480), [#405](https://github.com/Materials-Consortia/OPTIMADE/pull/405), [#464](https://github.com/Materials-Consortia/OPTIMADE/pull/464)): Several fields have been added to the `structures` entry type to fully describe symmetry. Symmetry operations can be provided explicitly in `space_group_symmetry_operations_xyz`, as well as space group specifications in various forms: `space_group_symbol_hall`, `space_group_symbol_hermann_mauguin`, `space_group_symbol_hermann_mauguin_extended`, `space_group_it_number`. - **Database licenses** ([#414](https://github.com/Materials-Consortia/OPTIMADE/pull/414),[#497](https://github.com/Materials-Consortia/OPTIMADE/pull/497)): Several fields have been added to programmatically describe the licensing status of data served by OPTIMADE APIs. A database-wide license can be provided as a set of [SPDX identifiers](https://spdx.org/licenses/) in `available_licenses`, with a related field `available_licenses_for_entries` specifying specifically which licenses apply to individual entries and other non-substantial extracts from the database for cases where these differ from the database-wide licenses. The global field `license` can be used point to a human-readable license page (external or otherwise) that explains any caveats to the licensing arrangement. - **Database metadata field** ([#424](https://github.com/Materials-Consortia/OPTIMADE/pull/424)): Added an additional metadata field `database` for providing a human-readable description of a given database. - **Backoff time** ([#411](https://github.com/Materials-Consortia/OPTIMADE/pull/411)): Databases can now request ahead of time that clients apply a particular rate limit or back-off time via the `request_delay` metadata field. ### Patches - **Fuzzy comparisons on lists** ([#415](https://github.com/Materials-Consortia/OPTIMADE/pull/415)): String comparisons like `CONTAINS`, `STARTS WITH` and `ENDS WITH` are now compatible with list filter operations like `HAS`, `HAS ALL` etc. - **Boolean values** ([#348](https://github.com/Materials-Consortia/OPTIMADE/pull/348)): [Boolean values](https://github.com/Materials-Consortia/OPTIMADE/blob/v1.2.0/optimade.rst#comparisons-of-boolean-values) were overlooked in the first version of the filter grammar as no OPTIMADE fields required them. This functionality has been introduced for boolean fields using the syntax `TRUE` and `FALSE`. Only strict equality (`=`) and inequality (`!=`) comparisons on individual fields are supported. - **Compatibility with JSON:API v1.1** ([#461](https://github.com/Materials-Consortia/OPTIMADE/pull/461)): References to JSON:API v1.0 have been updated to v1.1. - Typo, formatting and code snippet fixes. ### Notes for implementations As discussed above, the majority of this release involves the addition of more expressive metadata fields for property definitions, definition namespaces shared across providers, and licensing information, as well as mechanisms for serving files and partial data responses (for large entries, e.g., giant structures). We hope that the machine-readable schemas and property definitions now available at [schemas.optimade.org](https://schemas.optimade.org) will make implementing the specification much easier. The mandatory format changes required to support v1.2 are limited to the following: - `/info/` endpoints MUST now have a top-level `id` and `type` field, e.g., the `/info/structures` MUST now serve `{"id": "structures", "type": "info"}`. This is for compliance with JSON:API and their previous omission should be treated as a specification bug. - In cases where a server implementation treats filters on non-prefixed but unknown OPTIMADE fields as errors, implementations MUST update their known property list to handle new fields added to OPTIMADE in this version, such that they can continue to follow the expected behaviour for [Handling unknown property names](https://github.com/Materials-Consortia/OPTIMADE/blob/v1.2.0/optimade.rst#handling-unknown-property-names). ## v1.1.0 (July 8, 2021) This is release v1.1.0 of the OPTIMADE API specification. This is a minor release that primarily patches minor specification errors and introduces one new feature. ### New features - The `implementation` field of the general `meta` response has been updated to include an `issue_tracker` field ([#339](https://github.com/Materials-Consortia/OPTIMADE/pull/339)). ### Patches - The `mass` field of the `species` attribute for the `structures` entry type has been updated from a float to a list of floats ([#344](https://github.com/Materials-Consortia/OPTIMADE/pull/344)). - This was deemed a specification bug that now is fixed in both the specification text and the schemas. - Note: this could constitute a breaking change for software implemented to strictly adhere to the v1.0.0 specification. - The specification text has been clarified in several places without change of intended meaning. - Multiple typos, grammatical errors, and incorrect API examples have been fixed. - The OpenAPI schemas are now fully compliant with the Swagger validator. ## v1.0.1 (July 28, 2021) This is release v1.0.1 of the OPTIMADE API specification. This release contains all of the patches from [v1.1.0](https://github.com/Materials-Consortia/OPTIMADE/releases/tag/v1.1.0), whilst maintaining compatibility with v1.0.0. ## v1.0.0 (July 1, 2020) This is release v1.0.0 of the OPTIMADE API specification. OPTIMADE-PropertyDefinitions-0.1.0/MANIFEST0000644000200400020040000013541415112031047017741 0ustar andriusandrius# This file was automatically generated by Dist::Zilla::Plugin::Manifest v6.012. Changes LICENSE MANIFEST META.json META.yml Makefile.PL README dist.ini externals/OPTIMADE/AUTHORS externals/OPTIMADE/CHANGELOG.md externals/OPTIMADE/CODE_OF_CONDUCT.md externals/OPTIMADE/GNUmakefile externals/OPTIMADE/LICENSE externals/OPTIMADE/README.md externals/OPTIMADE/dependencies/installers/Debian-10/install.sh externals/OPTIMADE/external/GNU_Units/COPYING externals/OPTIMADE/external/GNU_Units/README.md externals/OPTIMADE/external/GNU_Units/definitions.units externals/OPTIMADE/external/README.md externals/OPTIMADE/external/json-api/LICENSE externals/OPTIMADE/external/json-api/schema.json externals/OPTIMADE/external/json-api/schema.yaml externals/OPTIMADE/optimade.rst externals/OPTIMADE/schemas/README.md externals/OPTIMADE/schemas/src/defs/v1.2/constants/codata/2018/electromagnetic/bohrmagneton.yaml externals/OPTIMADE/schemas/src/defs/v1.2/constants/codata/2018/electromagnetic/elementarycharge.yaml externals/OPTIMADE/schemas/src/defs/v1.2/constants/math/basic/pi.yaml 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externals/OPTIMADE/tests/outputs/Filter_073.out externals/OPTIMADE/tests/outputs/Filter_074.out externals/OPTIMADE/tests/outputs/Filter_075.out externals/OPTIMADE/tests/outputs/Filter_076.out externals/OPTIMADE/tests/outputs/Filter_077.out externals/OPTIMADE/tests/outputs/Filter_078.out externals/OPTIMADE/tests/outputs/Filter_079.out externals/OPTIMADE/tests/outputs/Filter_080.out externals/OPTIMADE/tests/outputs/Filter_081.out externals/OPTIMADE/tests/outputs/Filter_082.out externals/OPTIMADE/tests/outputs/Number_001.out externals/OPTIMADE/tests/outputs/Number_002.out externals/OPTIMADE/tests/outputs/ebnf_numbers_001.out externals/OPTIMADE/tests/outputs/ebnf_numbers_002.out externals/OPTIMADE/tests/outputs/ebnf_numbers_003.out externals/OPTIMADE/tests/outputs/ebnf_numbers_004.out externals/OPTIMADE/tests/outputs/ebnf_numbers_005.out externals/OPTIMADE/tests/outputs/ebnf_numbers_006.out externals/OPTIMADE/tests/outputs/ecma_symops_001.out externals/OPTIMADE/tests/outputs/ere_identifiers_001.out externals/OPTIMADE/tests/outputs/ere_identifiers_002.out externals/OPTIMADE/tests/outputs/ere_numbers_001.out externals/OPTIMADE/tests/outputs/ere_numbers_002.out externals/OPTIMADE/tests/outputs/ere_numbers_003.out externals/OPTIMADE/tests/outputs/ere_numbers_004.out externals/OPTIMADE/tests/outputs/ere_numbers_005.out externals/OPTIMADE/tests/outputs/pcre_identifiers_001.out externals/OPTIMADE/tests/outputs/pcre_identifiers_002.out externals/OPTIMADE/tests/outputs/pcre_numbers_001.out externals/OPTIMADE/tests/outputs/pcre_numbers_002.out externals/OPTIMADE/tests/outputs/pcre_numbers_003.out externals/OPTIMADE/tests/outputs/pcre_numbers_004.out externals/OPTIMADE/tests/outputs/pcre_numbers_005.out externals/OPTIMADE/tests/outputs/pcre_symops_001.out externals/OPTIMADE/tests/outputs/pcre_symops_002.out externals/OPTIMADE/tests/outputs/pcre_symops_003.out externals/OPTIMADE/tests/outputs/symops_pcre_to_ecma_001.out externals/OPTIMADE/tests/scripts/Filter externals/OPTIMADE/tests/scripts/Number externals/OPTIMADE/tests/scripts/check_spelling.sh externals/OPTIMADE/tests/scripts/filter_rsync_itemize_output.sh externals/OPTIMADE/tests/scripts/validate_json_schema.py externals/OPTIMADE/tests/tools/Dockerfile externals/OPTIMADE/tests/tools/grammatica-build.patch externals/OPTIMADE/tests/tools/mkcomdepend lib/OPTIMADE/PropertyDefinitions.pm lib/OPTIMADE/PropertyDefinitions/EntryType.pm lib/OPTIMADE/PropertyDefinitions/Property.pm lib/OPTIMADE/PropertyDefinitions/Property/Nested.pm t/01_list_properties.t t/02_inheritance.t OPTIMADE-PropertyDefinitions-0.1.0/META.yml0000644000200400020040000000136615112031047020057 0ustar andriusandrius--- abstract: 'Top-level Property Definition class' author: - 'Andrius Merkys ' build_requires: YAML: '0' configure_requires: ExtUtils::MakeMaker: '0' dynamic_config: 0 generated_by: 'Dist::Zilla version 6.012, CPAN::Meta::Converter version 2.150010' license: bsd meta-spec: url: http://module-build.sourceforge.net/META-spec-v1.4.html version: '1.4' name: OPTIMADE-PropertyDefinitions requires: YAML: '0' resources: bugtracker: https://github.com/merkys/optimade-propertydefinitions/issues homepage: https://search.cpan.org/dist/OPTIMADE-PropertyDefinitions repository: git://github.com/merkys/optimade-propertydefinitions.git version: 0.1.0 x_generated_by_perl: v5.30.0 x_serialization_backend: 'YAML::Tiny version 1.73' OPTIMADE-PropertyDefinitions-0.1.0/t/0000775000200400020040000000000015112031047017045 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/t/02_inheritance.t0000644000200400020040000000137615112031047022031 0ustar andriusandrius#!/usr/bin/perl use strict; use warnings; use OPTIMADE::PropertyDefinitions; use Test::More; my $has_yaml_schemas = -d 'externals/OPTIMADE' ? 1 : 0; plan skip_all => 'No available cases' unless $has_yaml_schemas; plan tests => 3; my $pd = OPTIMADE::PropertyDefinitions->new( 'externals/OPTIMADE/schemas/src/defs/v1.2/' ); my $id = $pd->entry_type( 'structures' )->property( 'id' ); is $id->optimade_type, 'string', 'simple one-step resolution'; my $struct_assemblies_sites_in_groups = $pd->entry_type( 'structures' )->property( 'assemblies' )->property( 'sites_in_groups' ); is $struct_assemblies_sites_in_groups->optimade_type, 'list'; my $ref_editor_name = $pd->entry_type( 'references' )->property( 'editors' ); is $ref_editor_name->unit, 'inapplicable'; OPTIMADE-PropertyDefinitions-0.1.0/t/01_list_properties.t0000644000200400020040000000247315112031047022765 0ustar andriusandrius#!/usr/bin/perl use strict; use warnings; use OPTIMADE::PropertyDefinitions; use Test::More; my $has_yaml_schemas = -d 'externals/OPTIMADE' ? 1 : 0; my $has_json_schemas = -d 'externals/OPTIMADE/schemas/output' ? 1 : 0; plan skip_all => 'No available cases' unless $has_yaml_schemas; plan tests => 4 + $has_json_schemas; my( $pd_yaml, $pd_json ); my( @properties_yaml, @properties_json ); $pd_yaml = OPTIMADE::PropertyDefinitions->new( 'externals/OPTIMADE/schemas/src/defs/v1.2/' ); is join( ',', sort map { $_->name } $pd_yaml->entry_types ), 'calculations,files,references,structures'; is scalar( map { $_->properties } $pd_yaml->entry_types ), 75; @properties_yaml = map { $_->properties } $pd_yaml->entry_types; if( $has_json_schemas ) { $pd_json = OPTIMADE::PropertyDefinitions->new( 'externals/OPTIMADE/schemas/output/defs/v1.2/', 'json' ); @properties_json = map { $_->properties } $pd_json->entry_types; } if( $has_json_schemas ) { is join( '', sort map { $_->name } @properties_yaml ), join( '', sort map { $_->name } @properties_json ); } $pd_yaml = OPTIMADE::PropertyDefinitions->new( 'externals/OPTIMADE/schemas/src/defs/v1.3/' ); is join( ',', sort map { $_->name } $pd_yaml->entry_types ), 'calculations,files,references,structures'; is scalar( map { $_->properties } $pd_yaml->entry_types ), 80; OPTIMADE-PropertyDefinitions-0.1.0/Makefile.PL0000644000200400020040000000173215112031047020555 0ustar andriusandrius# This file was automatically generated by Dist::Zilla::Plugin::MakeMaker v6.012. use strict; use warnings; use ExtUtils::MakeMaker; my %WriteMakefileArgs = ( "ABSTRACT" => "Top-level Property Definition class", "AUTHOR" => "Andrius Merkys ", "CONFIGURE_REQUIRES" => { "ExtUtils::MakeMaker" => 0 }, "DISTNAME" => "OPTIMADE-PropertyDefinitions", "LICENSE" => "bsd", "NAME" => "OPTIMADE::PropertyDefinitions", "PREREQ_PM" => { "YAML" => 0 }, "TEST_REQUIRES" => { "YAML" => 0 }, "VERSION" => "0.1.0", "test" => { "TESTS" => "t/*.t" } ); my %FallbackPrereqs = ( "YAML" => 0 ); unless ( eval { ExtUtils::MakeMaker->VERSION(6.63_03) } ) { delete $WriteMakefileArgs{TEST_REQUIRES}; delete $WriteMakefileArgs{BUILD_REQUIRES}; $WriteMakefileArgs{PREREQ_PM} = \%FallbackPrereqs; } delete $WriteMakefileArgs{CONFIGURE_REQUIRES} unless eval { ExtUtils::MakeMaker->VERSION(6.52) }; WriteMakefile(%WriteMakefileArgs); OPTIMADE-PropertyDefinitions-0.1.0/lib/0000775000200400020040000000000015112031047017350 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/lib/OPTIMADE/0000775000200400020040000000000015112031047020552 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/lib/OPTIMADE/PropertyDefinitions.pm0000644000200400020040000000343415112031047025132 0ustar andriusandriuspackage OPTIMADE::PropertyDefinitions; # ABSTRACT: Top-level Property Definition class our $VERSION = '0.1.0'; # VERSION use strict; use warnings; use OPTIMADE::PropertyDefinitions::EntryType; use JSON; use YAML qw( LoadFile ); sub new { my( $class, $path, $format ) = @_; $path .= '/' unless $path =~ /\/$/; $format = 'yaml' unless $format; return bless { path => $path, format => $format }, $class; } sub entry_type($) { my( $self, $entry_type ) = @_; die "no such entry type '$entry_type'\n" unless $self->raw->{entrytypes}{$entry_type}; return OPTIMADE::PropertyDefinitions::EntryType->new( $self, $entry_type ); } sub entry_types() { my( $self ) = @_; return map { OPTIMADE::PropertyDefinitions::EntryType->new( $self, $_ ) } sort keys %{$self->raw->{entrytypes}}; } sub path() { $_[0]->{path} } sub raw() { my( $self ) = @_; $self->{raw} = $self->_raw( 'standards/optimade' ) unless $self->{raw}; return $self->{raw}; } sub _raw($) { my( $self, $path ) = @_; if( $self->{format} eq 'json' ) { open my $inp, '<', $self->path . $path . '.json'; my $json = decode_json join '', <$inp>; close $inp; return $json; } elsif( $self->{format} eq 'yaml' ) { return $self->_resolve_inherits( LoadFile( $self->path . $path . '.yaml' ) ); } else { die "no such format '$self->{format}'\n"; } } sub _resolve_inherits($$) { my( $self, $yaml ) = @_; if( exists $yaml->{'$$inherit'} ) { my $parent = $self->_raw( '..' . $yaml->{'$$inherit'} ); $yaml = { %$parent, %$yaml }; } for my $key (keys %$yaml) { next unless ref $yaml->{$key} eq 'HASH'; $yaml->{$key} = $self->_resolve_inherits( $yaml->{$key} ); } return $yaml; } 1; OPTIMADE-PropertyDefinitions-0.1.0/lib/OPTIMADE/PropertyDefinitions/0000775000200400020040000000000015112031047024572 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/lib/OPTIMADE/PropertyDefinitions/Property.pm0000644000200400020040000000314515112031047026755 0ustar andriusandriuspackage OPTIMADE::PropertyDefinitions::Property; # ABSTRACT: OPTIMADE Property our $VERSION = '0.1.0'; # VERSION use strict; use warnings; use List::Util qw( any ); use OPTIMADE::PropertyDefinitions::Property::Nested; sub new { my( $class, $parent, $name ) = @_; return bless { parent => $parent, name => $name }, $class; } sub name() { $_[0]->{name} } sub parent() { $_[0]->{parent} } sub property($) { my( $self, $property ) = @_; if( !exists $self->raw->{properties} || !exists $self->raw->{properties}{$property} ) { die "no such property '$property'\n"; } return OPTIMADE::PropertyDefinitions::Property::Nested->new( $self, $property ); } sub properties() { my( $self ) = @_; return my @empty unless exists $self->raw->{properties}; return map { OPTIMADE::PropertyDefinitions::Property::Nested->new( $self, $_ ) } sort keys %{$self->raw->{properties}}; } sub description() { $_[0]->raw->{description} } sub format() { $_[0]->raw->{format} } sub optimade_type() { $_[0]->raw->{'x-optimade-type'} } sub query_support() { $_[0]->parent->raw->{'query-support'} } sub required() { exists $_[0]->raw->{required} ? @{$_[0]->raw->{required}} : my @empty } sub response_level() { $_[0]->parent->raw->{'response-level'} } sub sortable() { $_[0]->parent->raw->{sortable} } sub support() { $_[0]->parent->raw->{support} } sub type() { @{$_[0]->raw->{type}} } sub unit() { $_[0]->raw->{'x-optimade-unit'} } sub version() { $_[0]->raw->{version} } sub is_nullable() { any { $_ eq 'null' } $_[0]->type } sub raw() { $_[0]->parent->raw->{properties}{$_[0]->name} } 1; OPTIMADE-PropertyDefinitions-0.1.0/lib/OPTIMADE/PropertyDefinitions/Property/0000775000200400020040000000000015112031047026416 5ustar andriusandriusOPTIMADE-PropertyDefinitions-0.1.0/lib/OPTIMADE/PropertyDefinitions/Property/Nested.pm0000644000200400020040000000070515112031047030176 0ustar andriusandriuspackage OPTIMADE::PropertyDefinitions::Property::Nested; # ABSTRACT: OPTIMADE Nested property our $VERSION = '0.1.0'; # VERSION use strict; use warnings; use parent OPTIMADE::PropertyDefinitions::Property::; sub raw() { my( $self ) = @_; if( $self->parent->optimade_type eq 'list' ) { return $self->parent->raw->{items}{properties}{$self->name}; } else { return $self->parent->raw->{properties}{$self->name}; } } 1; OPTIMADE-PropertyDefinitions-0.1.0/lib/OPTIMADE/PropertyDefinitions/EntryType.pm0000644000200400020040000000147015112031047027073 0ustar andriusandriuspackage OPTIMADE::PropertyDefinitions::EntryType; # ABSTRACT: OPTIMADE Entry Type our $VERSION = '0.1.0'; # VERSION use strict; use warnings; use OPTIMADE::PropertyDefinitions::Property; sub new { my( $class, $parent, $name ) = @_; return bless { parent => $parent, name => $name }, $class; } sub property($) { my( $self, $property ) = @_; die "no such property '$property'\n" unless $self->raw->{properties}{$property}; return OPTIMADE::PropertyDefinitions::Property->new( $self, $property ); } sub properties() { my( $self ) = @_; return map { OPTIMADE::PropertyDefinitions::Property->new( $self, $_ ) } sort keys %{$self->raw->{properties}}; } sub name() { $_[0]->{name} } sub parent() { $_[0]->{parent} } sub raw() { $_[0]->parent->raw->{entrytypes}{$_[0]->name} } 1; OPTIMADE-PropertyDefinitions-0.1.0/META.json0000644000200400020040000000243715112031047020227 0ustar andriusandrius{ "abstract" : "Top-level Property Definition class", "author" : [ "Andrius Merkys " ], "dynamic_config" : 0, "generated_by" : "Dist::Zilla version 6.012, CPAN::Meta::Converter version 2.150010", "license" : [ "bsd" ], "meta-spec" : { "url" : "http://search.cpan.org/perldoc?CPAN::Meta::Spec", "version" : 2 }, "name" : "OPTIMADE-PropertyDefinitions", "prereqs" : { "configure" : { "requires" : { "ExtUtils::MakeMaker" : "0" } }, "runtime" : { "requires" : { "YAML" : "0" } }, "test" : { "requires" : { "YAML" : "0" } } }, "release_status" : "stable", "resources" : { "bugtracker" : { "web" : "https://github.com/merkys/optimade-propertydefinitions/issues" }, "homepage" : "https://search.cpan.org/dist/OPTIMADE-PropertyDefinitions", "repository" : { "type" : "git", "url" : "git://github.com/merkys/optimade-propertydefinitions.git", "web" : "https://github.com/merkys/optimade-propertydefinitions" } }, "version" : "0.1.0", "x_generated_by_perl" : "v5.30.0", "x_serialization_backend" : "Cpanel::JSON::XS version 4.19" }