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<rdf:RDF xmlns="http://purls.helmholtz-metadaten.de/cmso/"
xml:base="http://purls.helmholtz-metadaten.de/cmso/"
xmlns:dc="http://purl.org/dc/elements/1.1/"
xmlns:obo="http://purl.obolibrary.org/obo/"
xmlns:owl="http://www.w3.org/2002/07/owl#"
xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
xmlns:xml="http://www.w3.org/XML/1998/namespace"
xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
xmlns:skos="http://www.w3.org/2004/02/skos/core#"
xmlns:terms="http://purl.org/dc/terms/"
xmlns:schema="https://schema.org/">
<owl:Ontology rdf:about="http://purls.helmholtz-metadaten.de/cmso/">
<terms:contributor rdf:resource="https://orcid.org/0000-0001-9560-4728"/>
<terms:contributor rdf:resource="https://orcid.org/0000-0002-5149-603X"/>
<terms:contributor rdf:resource="https://orcid.org/0000-0002-6776-1213"/>
<terms:contributor rdf:resource="https://orcid.org/0000-0003-0698-4891"/>
<terms:creator rdf:resource="https://orcid.org/0000-0001-7564-7990"/>
<terms:description>CMSO is an ontology that aims to describe computational materials science samples (or structures), including crystalline defects.</terms:description>
<terms:license rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://creativecommons.org/licenses/by/4.0/</terms:license>
<terms:title>Computational Material Sample Ontology (CMSO)</terms:title>
<rdfs:seeAlso rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://github.com/OCDO/cmso-ontology</rdfs:seeAlso>
<owl:versionInfo rdf:datatype="http://www.w3.org/2001/XMLSchema#string">0.0.1</owl:versionInfo>
<schema:citation rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Azocar Guzman, A., Menon, S., Hofmann, V., Hickel, T., Sandfeld. S. (2024), Computational Material Sample Ontology, https://purls.helmholtz-metadaten.de/cmso/</schema:citation>
<schema:creativeWorkStatus rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Ontology Specification</schema:creativeWorkStatus>
<schema:funder rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://ror.org/05qj6w324</schema:funder>
<schema:logo rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://raw.githubusercontent.com/OCDO/.github/refs/heads/main/profile/ocdo_logo.png</schema:logo>
</owl:Ontology>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Annotation properties
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- http://purl.obolibrary.org/obo/IAO_0000111 -->
<owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000111"/>
<!-- http://purl.obolibrary.org/obo/IAO_0000112 -->
<owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000112"/>
<!-- http://purl.obolibrary.org/obo/IAO_0000114 -->
<owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000114"/>
<!-- http://purl.obolibrary.org/obo/IAO_0000115 -->
<owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115">
<obo:IAO_0000111 xml:lang="en">definition</obo:IAO_0000111>
<obo:IAO_0000114 rdf:resource="http://purl.obolibrary.org/obo/IAO_0000122"/>
<obo:IAO_0000115 xml:lang="en">The official definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions.</obo:IAO_0000115>
<obo:IAO_0000116 xml:lang="en">2012-04-05:
Barry Smith
The official OBI definition, explaining the meaning of a class or property: 'Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions' is terrible.
Can you fix to something like:
A statement of necessary and sufficient conditions explaining the meaning of an expression referring to a class or property.
Alan Ruttenberg
Your proposed definition is a reasonable candidate, except that it is very common that necessary and sufficient conditions are not given. Mostly they are necessary, occasionally they are necessary and sufficient or just sufficient. Often they use terms that are not themselves defined and so they effectively can't be evaluated by those criteria.
On the specifics of the proposed definition:
We don't have definitions of 'meaning' or 'expression' or 'property'. For 'reference' in the intended sense I think we use the term 'denotation'. For 'expression', I think we you mean symbol, or identifier. For 'meaning' it differs for class and property. For class we want documentation that let's the intended reader determine whether an entity is instance of the class, or not. For property we want documentation that let's the intended reader determine, given a pair of potential relata, whether the assertion that the relation holds is true. The 'intended reader' part suggests that we also specify who, we expect, would be able to understand the definition, and also generalizes over human and computer reader to include textual and logical definition.
Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable.
We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with.</obo:IAO_0000116>
<obo:IAO_0000117 xml:lang="en">PERSON:Daniel Schober</obo:IAO_0000117>
<obo:IAO_0000119 xml:lang="en">GROUP:OBI:<http://purl.obolibrary.org/obo/obi></obo:IAO_0000119>
<rdfs:label xml:lang="en">definition</rdfs:label>
</owl:AnnotationProperty>
<!-- http://purl.obolibrary.org/obo/IAO_0000116 -->
<owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000116"/>
<!-- http://purl.obolibrary.org/obo/IAO_0000117 -->
<owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000117"/>
<!-- http://purl.obolibrary.org/obo/IAO_0000119 -->
<owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000119">
<obo:IAO_0000111 xml:lang="en">definition source</obo:IAO_0000111>
<obo:IAO_0000114 rdf:resource="http://purl.obolibrary.org/obo/IAO_0000122"/>
<obo:IAO_0000115 xml:lang="en">Formal citation, e.g. identifier in external database to indicate / attribute source(s) for the definition. Free text indicate / attribute source(s) for the definition. EXAMPLE: Author Name, URI, MeSH Term C04, PUBMED ID, Wiki uri on 31.01.2007</obo:IAO_0000115>
<obo:IAO_0000117 xml:lang="en">PERSON:Daniel Schober</obo:IAO_0000117>
<obo:IAO_0000119 xml:lang="en">Discussion on obo-discuss mailing-list, see http://bit.ly/hgm99w</obo:IAO_0000119>
<obo:IAO_0000119 xml:lang="en">GROUP:OBI:<http://purl.obolibrary.org/obo/obi></obo:IAO_0000119>
<rdfs:label xml:lang="en">definition source</rdfs:label>
</owl:AnnotationProperty>
<!-- http://purl.obolibrary.org/obo/OBCS_0000221 -->
<owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/OBCS_0000221">
<obo:IAO_0000112>A normal distribution probability density function has a formula of:
f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
<obo:IAO_0000115>An annotation property that represents a mathematical formula.</obo:IAO_0000115>
<obo:IAO_0000117>Asiyah Yu Lin, Jie Zheng, Yongqun He</obo:IAO_0000117>
<rdfs:label xml:lang="en">mathematical formula</rdfs:label>
</owl:AnnotationProperty>
<!-- http://purl.org/dc/elements/1.1/contributor -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/contributor"/>
<!-- http://purl.org/dc/elements/1.1/creator -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/creator"/>
<!-- http://purl.org/dc/elements/1.1/description -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/description"/>
<!-- http://purl.org/dc/elements/1.1/title -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/title"/>
<!-- http://purl.org/dc/terms/abstract -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/abstract">
<rdfs:subPropertyOf rdf:resource="http://purl.org/dc/terms/description"/>
</owl:AnnotationProperty>
<!-- http://purl.org/dc/terms/alternative -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/alternative">
<rdfs:subPropertyOf rdf:resource="http://purl.org/dc/terms/title"/>
</owl:AnnotationProperty>
<!-- http://purl.org/dc/terms/contributor -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/contributor">
<rdfs:comment xml:lang="en-us">Examples of a Contributor include a person, an organization, or a service. Typically, the name of a Contributor should be used to indicate the entity.</rdfs:comment>
<rdfs:label xml:lang="en-us">Contributor</rdfs:label>
<skos:definition xml:lang="en-us">An entity responsible for making contributions to the resource.</skos:definition>
<rdfs:subPropertyOf rdf:resource="http://purl.org/dc/elements/1.1/contributor"/>
</owl:AnnotationProperty>
<!-- http://purl.org/dc/terms/creator -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/creator">
<rdfs:comment xml:lang="en-us">Examples of a Creator include a person, an organization, or a service. Typically, the name of a Creator should be used to indicate the entity.</rdfs:comment>
<rdfs:label xml:lang="en-us">Creator</rdfs:label>
<skos:definition xml:lang="en-us">An entity primarily responsible for making the resource.</skos:definition>
<rdfs:subPropertyOf rdf:resource="http://purl.org/dc/elements/1.1/creator"/>
<rdfs:subPropertyOf rdf:resource="http://purl.org/dc/terms/contributor"/>
<rdfs:range rdf:resource="http://purl.org/dc/terms/Agent"/>
</owl:AnnotationProperty>
<!-- http://purl.org/dc/terms/description -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/description">
<rdfs:comment xml:lang="en-us">Description may include but is not limited to: an abstract, a table of contents, a graphical representation, or a free-text account of the resource.</rdfs:comment>
<rdfs:label xml:lang="en-us">Description</rdfs:label>
<skos:definition xml:lang="en-us">An account of the resource.</skos:definition>
<rdfs:subPropertyOf rdf:resource="http://purl.org/dc/elements/1.1/description"/>
</owl:AnnotationProperty>
<!-- http://purl.org/dc/terms/license -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/license">
<rdfs:label xml:lang="en-us">License</rdfs:label>
<skos:definition xml:lang="en-us">A legal document giving official permission to do something with the resource.</skos:definition>
<rdfs:range rdf:resource="http://purl.org/dc/terms/LicenseDocument"/>
</owl:AnnotationProperty>
<!-- http://purl.org/dc/terms/tableOfContents -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/tableOfContents">
<rdfs:subPropertyOf rdf:resource="http://purl.org/dc/terms/description"/>
</owl:AnnotationProperty>
<!-- http://purl.org/dc/terms/title -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/title">
<rdfs:label xml:lang="en-us">Title</rdfs:label>
<skos:definition xml:lang="en-us">A name given to the resource.</skos:definition>
<skos:note xml:lang="en-us">In current practice, this term is used primarily with literal values; however, there are important uses with non-literal values as well. As of December 2007, the DCMI Usage Board is leaving this range unspecified pending an investigation of options.</skos:note>
<rdfs:subPropertyOf rdf:resource="http://purl.org/dc/elements/1.1/title"/>
</owl:AnnotationProperty>
<!-- http://www.w3.org/2004/02/skos/core#altLabel -->
<owl:AnnotationProperty rdf:about="http://www.w3.org/2004/02/skos/core#altLabel">
<rdfs:comment xml:lang="en">The range of skos:altLabel is the class of RDF plain literals.</rdfs:comment>
<rdfs:comment xml:lang="en">skos:prefLabel, skos:altLabel and skos:hiddenLabel are pairwise disjoint properties.</rdfs:comment>
<rdfs:isDefinedBy rdf:resource="http://www.w3.org/2004/02/skos/core"/>
<rdfs:label xml:lang="en">alternative label</rdfs:label>
<skos:definition xml:lang="en">An alternative lexical label for a resource.</skos:definition>
<skos:example xml:lang="en">Acronyms, abbreviations, spelling variants, and irregular plural/singular forms may be included among the alternative labels for a concept. Mis-spelled terms are normally included as hidden labels (see skos:hiddenLabel).</skos:example>
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2000/01/rdf-schema#label"/>
</owl:AnnotationProperty>
<!-- http://www.w3.org/2004/02/skos/core#definition -->
<owl:AnnotationProperty rdf:about="http://www.w3.org/2004/02/skos/core#definition">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2004/02/skos/core#note"/>
</owl:AnnotationProperty>
<!-- http://www.w3.org/2004/02/skos/core#example -->
<owl:AnnotationProperty rdf:about="http://www.w3.org/2004/02/skos/core#example">
<rdfs:isDefinedBy rdf:resource="http://www.w3.org/2004/02/skos/core"/>
<rdfs:label xml:lang="en">example</rdfs:label>
<skos:definition xml:lang="en">An example of the use of a concept.</skos:definition>
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2004/02/skos/core#note"/>
</owl:AnnotationProperty>
<!-- http://www.w3.org/2004/02/skos/core#note -->
<owl:AnnotationProperty rdf:about="http://www.w3.org/2004/02/skos/core#note">
<skos:definition xml:lang="en">A general note, for any purpose.</skos:definition>
</owl:AnnotationProperty>
<!-- http://www.w3.org/2004/02/skos/core#prefLabel -->
<owl:AnnotationProperty rdf:about="http://www.w3.org/2004/02/skos/core#prefLabel">
<rdfs:comment xml:lang="en">A resource has no more than one value of skos:prefLabel per language tag, and no more than one value of skos:prefLabel without language tag.</rdfs:comment>
<rdfs:comment xml:lang="en">The range of skos:prefLabel is the class of RDF plain literals.</rdfs:comment>
<rdfs:comment xml:lang="en">skos:prefLabel, skos:altLabel and skos:hiddenLabel are pairwise
disjoint properties.</rdfs:comment>
<rdfs:isDefinedBy rdf:resource="http://www.w3.org/2004/02/skos/core"/>
<rdfs:label xml:lang="en">preferred label</rdfs:label>
<skos:definition xml:lang="en">The preferred lexical label for a resource, in a given language.</skos:definition>
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2000/01/rdf-schema#label"/>
</owl:AnnotationProperty>
<!-- https://schema.org/citation -->
<owl:AnnotationProperty rdf:about="https://schema.org/citation"/>
<!-- https://schema.org/creativeWorkStatus -->
<owl:AnnotationProperty rdf:about="https://schema.org/creativeWorkStatus"/>
<!-- https://schema.org/funder -->
<owl:AnnotationProperty rdf:about="https://schema.org/funder"/>
<!-- https://schema.org/logo -->
<owl:AnnotationProperty rdf:about="https://schema.org/logo"/>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Datatypes
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- http://qudt.org/schema/qudt/LatexString -->
<rdfs:Datatype rdf:about="http://qudt.org/schema/qudt/LatexString"/>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Object Properties
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- http://purls.helmholtz-metadaten.de/cdos/cdco/hasCrystallographicDefect -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cdos/cdco/hasCrystallographicDefect">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cdos/cdco/CrystallineMaterial"/>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cdos/cdco/CrystallographicDefect"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a crystalline material and a crystallographic defect, such as vacancies, interstitials, or dislocations.</obo:IAO_0000115>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has crystallographic defect</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasAngle -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasAngle">
<rdfs:domain>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/SimulationCell"/>
<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/UnitCell"/>
</owl:unionOf>
</owl:Class>
</rdfs:domain>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Angle"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a simulation or unit cell and its angle.</obo:IAO_0000115>
<rdfs:label>has angle</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasAttribute -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasAttribute">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomicScaleSample"/>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a sample and a type of atom attribute, which refers to a per atom quantity of the atomic scale sample.</obo:IAO_0000115>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has attribute</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasBasis -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasBasis">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/UnitCell"/>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Basis"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a unit cell and the basis of the crystal structure.</obo:IAO_0000115>
<rdfs:label>has basis</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasElement -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasElement">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ChemicalSpecies"/>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ChemicalElement"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between an atom and its chemical element.</obo:IAO_0000115>
<rdfs:label>has element</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasLatticeParameter -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasLatticeParameter">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/UnitCell"/>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/LatticeParameter"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a unit cell and its lattice parameters.</obo:IAO_0000115>
<rdfs:label>has lattice parameter</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasLength -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasLength">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCell"/>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCellLength"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a simulation cell and its length.</obo:IAO_0000115>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has simulation cell length</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasMaterial -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasMaterial">
<owl:inverseOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/isMaterialOf"/>
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ComputationalSample"/>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cdos/cdco/Material"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a computational sample and the material it represents.</obo:IAO_0000115>
<rdfs:label>has material</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasNormalVector -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasNormalVector">
<rdfs:subPropertyOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/hasVector"/>
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Plane"/>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/NormalVector"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a plane and a vector normal to it.</obo:IAO_0000115>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has normal vector</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasSimulationCell -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasSimulationCell">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomicScaleSample"/>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCell"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between an atomic scale sample and the simulation cell.</obo:IAO_0000115>
<rdfs:label>has simulation cell</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasSimulationCellVolume -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasSimulationCellVolume">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCell"/>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCellVolume"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a simulation cell and its volume.</obo:IAO_0000115>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has simulation cell volume</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasSpaceGroup -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasSpaceGroup">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/CrystalStructure"/>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SpaceGroup"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a crystal structure and the space group that describes the symmetry.</obo:IAO_0000115>
<rdfs:label>has space group</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasSpecies -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasSpecies">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ComputationalSample"/>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ChemicalSpecies"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a computational sample and the species that constitutes it.</obo:IAO_0000115>
<rdfs:label>has species</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasStructure -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasStructure">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cdos/cdco/Material"/>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Structure"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a material and its structure.</obo:IAO_0000115>
<rdfs:label>has structure</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasUnit -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasUnit">
<rdfs:domain rdf:resource="http://www.w3.org/2002/07/owl#Thing"/>
<rdfs:range rdf:resource="http://qudt.org/schema/qudt/Unit"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A relation indicating the unit.</obo:IAO_0000115>
<rdfs:label>has unit</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasUnitCell -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasUnitCell">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/CrystalStructure"/>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/UnitCell"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a crystal structure and its unit cell.</obo:IAO_0000115>
<rdfs:label>has unit cell</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasVector -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasVector">
<rdfs:domain>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/SimulationCell"/>
<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/UnitCell"/>
</owl:unionOf>
</owl:Class>
</rdfs:domain>
<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Vector"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between an entity and its vectors.</obo:IAO_0000115>
<rdfs:label>has vector</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/isCalculatedPropertyOf -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/isCalculatedPropertyOf">
<rdfs:label>is calculated property of</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/isDefectOf -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/isDefectOf">
<rdfs:label>is defect of</rdfs:label>
</owl:ObjectProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/isMaterialOf -->
<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/isMaterialOf">
<rdfs:label>is material of</rdfs:label>
</owl:ObjectProperty>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Data properties
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- http://purls.helmholtz-metadaten.de/cmso/hasAltName -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasAltName">
<rdfs:subPropertyOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/hasName"/>
<rdfs:domain rdf:resource="http://www.w3.org/2002/07/owl#Thing"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking an entity with alternative names.</obo:IAO_0000115>
<rdfs:label>has alternative name</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasAngle_alpha -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasAngle_alpha">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Angle"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking the angle to the measurement in the x axis.</obo:IAO_0000115>
<rdfs:label>has angle alpha</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasAngle_beta -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasAngle_beta">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Angle"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking the angle to the measurement in the y axis.</obo:IAO_0000115>
<rdfs:label>has angle beta</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasAngle_gamma -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasAngle_gamma">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Angle"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking the angle to the measurement in the z axis.</obo:IAO_0000115>
<rdfs:label>has angle gamma</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasAtomicPercent -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasAtomicPercent">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ChemicalElement"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a chemical element with atomic percentage present in the material.</obo:IAO_0000115>
<rdfs:comment>abbreviated at.%</rdfs:comment>
<rdfs:label>has atomic percent</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasBravaisLattice -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasBravaisLattice">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/UnitCell"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking the crystal structure and the corresponding Bravais lattice.</obo:IAO_0000115>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has Bravais lattice</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasChemicalSymbol -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasChemicalSymbol">
<rdfs:subPropertyOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/hasSymbol"/>
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ChemicalElement"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking an element with its chemical symbol.</obo:IAO_0000115>
<rdfs:label>has chemical symbol</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasComponent_x -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasComponent_x">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Vector"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a vector with its component on the x axis.</obo:IAO_0000115>
<rdfs:label>has component x</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasComponent_y -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasComponent_y">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Vector"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a vector with its component on the y axis.</obo:IAO_0000115>
<rdfs:label>has component y</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasComponent_z -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasComponent_z">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Vector"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a vector with its component on the z axis.</obo:IAO_0000115>
<rdfs:label>has component z</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasDistanceFromOrigin -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasDistanceFromOrigin">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Plane"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking an plane with the value of distance from its origin.</obo:IAO_0000115>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has distance from origin</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasElementRatio -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasElementRatio">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ChemicalElement"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a chemical element with the ratio or fraction of it in the material.</obo:IAO_0000115>
<rdfs:comment>Indicated with a value from 0 to 1.</rdfs:comment>
<rdfs:label>has element ratio</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasIdentifier -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasIdentifier">
<rdfs:domain rdf:resource="http://www.w3.org/2002/07/owl#Thing"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking an entity with an identifier (internal or external) that represents the entity.</obo:IAO_0000115>
<rdfs:label>has identifier</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasLength_x -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasLength_x">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCellLength"/>
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/UnitCell"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a length to the measurement in the x axis.</obo:IAO_0000115>
<rdfs:label>has length x</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasLength_y -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasLength_y">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCellLength"/>
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/UnitCell"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a length to the measurement in the y axis.</obo:IAO_0000115>
<rdfs:label>has length y</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasLength_z -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasLength_z">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCellLength"/>
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/UnitCell"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a length to the measurement in the z axis.</obo:IAO_0000115>
<rdfs:label>has length z</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasName -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasName">
<rdfs:domain rdf:resource="http://www.w3.org/2002/07/owl#Thing"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking an entity with its name.</obo:IAO_0000115>
<rdfs:label>has name</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasNumberOfAtoms -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasNumberOfAtoms">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomicScaleSample"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking an atomic scale sample with the number of atoms it contains.</obo:IAO_0000115>
<rdfs:label>has number of atoms</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasPath -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasPath">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking an atom attribute (per atom quantity) with the path pointing to the file where the data is stored.</obo:IAO_0000115>
<rdfs:label>has path</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasReference -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasReference">
<rdfs:domain rdf:resource="http://www.w3.org/2002/07/owl#Thing"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#anyURI"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking an entity with a reference (e.g. bibliographic) to another resource.</obo:IAO_0000115>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The expected usage is to provide a Uniform Resource Identifier Reference (URI), which should point the referenced resource (e.g. a DOI for a publication)</rdfs:comment>
<rdfs:label>has reference</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasRepetition_x -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasRepetition_x">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCell"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a simulation cell with its number of repetitions in the x direction.</obo:IAO_0000115>
<rdfs:label>has repetition x</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasRepetition_y -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasRepetition_y">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCell"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a simulation cell with its number of repetitions in the y direction.</obo:IAO_0000115>
<rdfs:label>has repetition y</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasRepetition_z -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasRepetition_z">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCell"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a simulation cell with its number of repetitions in the z direction.</obo:IAO_0000115>
<rdfs:label>has repetition z</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasSpaceGroupNumber -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasSpaceGroupNumber">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/CrystalStructure"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a crystal structure with its space group number.</obo:IAO_0000115>
<rdfs:label>has space group number</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasSpaceGroupSymbol -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasSpaceGroupSymbol">
<rdfs:subPropertyOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/hasSymbol"/>
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/CrystalStructure"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a crystal structure with its space group symbol.</obo:IAO_0000115>
<rdfs:label>has space group symbol</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasSymbol -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasSymbol">
<rdfs:domain rdf:resource="http://www.w3.org/2002/07/owl#Thing"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking an entity with its symbol.</obo:IAO_0000115>
<rdfs:label>has symbol</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasVacuumDirection -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasVacuumDirection">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCell"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property defining the parameter that indicates the specific direction(s) in which vacuum space is added in a simulation cell</obo:IAO_0000115>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has vacuum direction</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasVacuumLength -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasVacuumLength">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCell"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property defining the distance or thickness of vacuum space included in a simulation cell, often used to separate periodic images of a system to prevent interactions between them, especially in slab or surface simulations.</obo:IAO_0000115>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has vacuum length</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasValue -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasValue">
<rdfs:domain rdf:resource="http://www.w3.org/2002/07/owl#Thing"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking an entity to its value.</obo:IAO_0000115>
<rdfs:label>has value</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasVolume -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasVolume">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCell"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a simulation cell with its volume. Comment: the unit of the volume is indicated by the unit of the simulation cell length.</obo:IAO_0000115>
<rdfs:label>has volume</rdfs:label>
</owl:DatatypeProperty>
<!-- http://purls.helmholtz-metadaten.de/cmso/hasWeightPercent -->
<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasWeightPercent">
<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ChemicalElement"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a chemical element with percentage by mass present in the material.</obo:IAO_0000115>
<rdfs:comment>abbreviated wt.%</rdfs:comment>
<rdfs:label>has weight percent</rdfs:label>
</owl:DatatypeProperty>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Classes
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- http://purls.helmholtz-metadaten.de/cdos/cdco/CrystallineMaterial -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cdos/cdco/CrystallineMaterial">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cdos/cdco/Material"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Crystalline material is material characterized by a periodic arrangement of the constituent atoms. The arrangement could be described its crystal structure.</obo:IAO_0000115>
<rdfs:label>Crystalline Material</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cdos/cdco/CrystallographicDefect -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cdos/cdco/CrystallographicDefect">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Lattice irregularity having one or more of its dimensions on the order of an atomic diameter.</obo:IAO_0000115>
<rdfs:label>Crystallographic Defect</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cdos/cdco/Material -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cdos/cdco/Material">
<owl:equivalentClass rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Material"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Materials are substances in the condensed states (liquid, solid, colloidal) designed or manipulated for technological ends.</obo:IAO_0000115>
<obo:IAO_0000119 rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://web.archive.org/web/20100801234616/http://www.nature.com/nmat/authors/index.html</obo:IAO_0000119>
<rdfs:label>Material</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/AmorphousMaterial -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/AmorphousMaterial">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cdos/cdco/Material"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">An amorphous material or solid is a material which has no defined long-range order.</obo:IAO_0000115>
<rdfs:label>Amorphous Material</rdfs:label>
<skos:altLabel>Amorphous Solid</skos:altLabel>
<skos:altLabel>Non-crystalline Solid</skos:altLabel>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/Angle -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/Angle">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">An angle is a measure of the the space (usually in degrees) between two intersecting lines at the point where they meet or vertex.</obo:IAO_0000115>
<rdfs:label>Angle</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/Atom -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/Atom">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ChemicalSpecies"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Smallest particle still characterizing a chemical element. It consists of a nucleus of a positive charge (Z is the proton number and e the elementary charge) carrying almost all its mass (more than 99.9%) and Z electrons determining its size.</obo:IAO_0000115>
<obo:IAO_0000119 rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://goldbook.iupac.org/terms/view/A00493</obo:IAO_0000119>
<rdfs:label>Atom</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/AtomAttribute -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Atom attribute refers to the features or quantities per atom of an atomic scale sample.</obo:IAO_0000115>
<rdfs:label>Atom Attribute</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/AtomicForce -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/AtomicForce">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Atomic force refers to the vector that represents the force of each atom.</obo:IAO_0000115>
<rdfs:label>Atomic Force</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/AtomicPosition -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/AtomicPosition">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Atomic position refers to the vector that represents the position of each atom.</obo:IAO_0000115>
<rdfs:comment>Cartesian coordinates are preferred over direct (or fractional) coordinates.</rdfs:comment>
<rdfs:label>Atomic Position</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/AtomicScaleSample -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/AtomicScaleSample">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ComputationalSample"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Atomic scale sample is a computational sample in the atomic length scale.</obo:IAO_0000115>
<rdfs:label>Atomic Scale Sample</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/AtomicVelocity -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/AtomicVelocity">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Atomic velocity refers to the vector that represents the velocity of each atom.</obo:IAO_0000115>
<rdfs:label>Atomic Velocity</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/Basis -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/Basis">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The basis of a crystal indicates the arrangement or position of atoms in the crystal lattice.</obo:IAO_0000115>
<rdfs:label>Basis</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/ChemicalComposition -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/ChemicalComposition">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Chemical composition refers to the type, arrangement and ratio of the chemical elements of a compound (or material).</obo:IAO_0000115>
<rdfs:label>Chemical Composition</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/ChemicalElement -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/ChemicalElement">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A species of atoms; all atoms with the same number of protons in the atomic nucleus.</obo:IAO_0000115>
<obo:IAO_0000119 rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://goldbook.iupac.org/terms/view/C01022</obo:IAO_0000119>
<rdfs:label>Chemical Element</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/ChemicalSpecies -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/ChemicalSpecies">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A chemical species is an ensemble of chemically identical atomic or molecular structural units in a solid array. Comment: In this context, it refers to either an atom, ion or molecule.</obo:IAO_0000115>
<obo:IAO_0000119 rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://goldbook.iupac.org/terms/view/CT01038</obo:IAO_0000119>
<rdfs:comment>In this context, it refers to either an atom, ion or molecule.</rdfs:comment>
<rdfs:label>Chemical Species</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/ComputationalSample -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/ComputationalSample">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A computational sample is a representative system of a material for analysis through computational methods in the context of materials science.</obo:IAO_0000115>
<rdfs:label>Computational Sample</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/CoordinationNumber -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/CoordinationNumber">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Coordination number refers to the number of neighbors of each atom.</obo:IAO_0000115>
<rdfs:comment>In the case of molecules, it refers to the number of atoms, molecules or ions bonded to a central atom of the molecule. Also known as ligancy.</rdfs:comment>
<rdfs:label>Coordination Number</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/CrystalDefect -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/CrystalDefect">
<obo:IAO_0000115>A crystal defect is an imperfection or irregularity in the atomic arrangement of a crystalline solid.</obo:IAO_0000115>
<rdfs:label>Crystal Defect</rdfs:label>
<skos:altLabel>Crystallographic Defect</skos:altLabel>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/CrystalStructure -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/CrystalStructure">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Structure"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Crystal structure is the arrangement of atoms or molecules in the solid state. Crystal structure also involves consideration of defects, or abnormalities, in the idealized atomic/molecular arrangements.</obo:IAO_0000115>
<rdfs:comment>In this context, the crystal structure refers to the idealized state, while the defect information is represented elsewhere (see Crystal Defect).</rdfs:comment>
<rdfs:label>Crystal Structure</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/LatticeAngle -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/LatticeAngle">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Angle"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The lattice angle refers to the angles between the crystallographic axes.</obo:IAO_0000115>
<rdfs:label>Lattice Angle</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/LatticeParameter -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/LatticeParameter">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The lattice parameter is the measurement of length of the unit cell of the crystal lattice.</obo:IAO_0000115>
<rdfs:comment>The lattice angles can also be considered lattice parameters (see Lattice Angle)</rdfs:comment>
<rdfs:label>Lattice Parameter</rdfs:label>
<skos:altLabel>Lattice Constant</skos:altLabel>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/LatticePlane -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/LatticePlane">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Plane"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">In crystallography, lattice planes are sets of parallel mathematical planes, where each lattice point is on a lattice plane. The lattice plane of a crystal is represented by three integers —h,k,l— which are referred to as the Miller indices.</obo:IAO_0000115>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Lattice Plane</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/LatticeVector -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/LatticeVector">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Vector"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A lattice vector is a vector that defines the lattice of the crystal structure.</obo:IAO_0000115>
<rdfs:comment>Note that it differs from the simulation cell vector.</rdfs:comment>
<rdfs:label>Lattice Vector</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/MacroscaleSample -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/MacroscaleSample">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ComputationalSample"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Macroscale sample is a computational sample in the macroscale.</obo:IAO_0000115>
<rdfs:label>Macroscale Sample</rdfs:label>
<skos:altLabel>Macro Scale Sample</skos:altLabel>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/Material -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/Material">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Materials are substances in the condensed states (liquid, solid, colloidal) designed or manipulated for technological ends.</obo:IAO_0000115>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string">In the CMSO context, 'Material' refers to a theoretical entity and not necessarily a tangible object.</rdfs:comment>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Material</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/MesoscaleSample -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/MesoscaleSample">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ComputationalSample"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Mesoscale sample is a computational sample in the mesoscale.</obo:IAO_0000115>
<rdfs:label>Mesoscale Sample</rdfs:label>
<skos:altLabel>Meso Scale Sample</skos:altLabel>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/MicroscaleSample -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/MicroscaleSample">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ComputationalSample"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Microscale sample is a computational sample in the microscale.</obo:IAO_0000115>
<rdfs:label>Microscale Sample</rdfs:label>
<skos:altLabel>Micro Scale Sample</skos:altLabel>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/Microstructure -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/Microstructure">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Structure"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The microstructure is the structure or arrangement of all components (atomic arrangement, defects, phases, etc.) of the material at the microscale.</obo:IAO_0000115>
<rdfs:label>Microstructure</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/Molecule -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/Molecule">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ChemicalSpecies"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">An electrically neutral entity consisting of more than one atom (n>1). Rigorously, a molecule, in which n>1 must correspond to a depression on the potential energy surface that is deep enough to confine at least one vibrational state.</obo:IAO_0000115>
<obo:IAO_0000119 rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://goldbook.iupac.org/terms/view/M04002</obo:IAO_0000119>
<rdfs:label>Molecule</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/NanoscaleSample -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/NanoscaleSample">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ComputationalSample"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Nanoscale sample is a computational sample in the nanoscale.</obo:IAO_0000115>
<rdfs:label>Nanoscale Sample</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/NormalVector -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/NormalVector">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Vector"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The normal vector is a vector perpendicular to a given object.</obo:IAO_0000115>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Normal Vector</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/Occupancy -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/Occupancy">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Occupancy refers to the atom type at each lattice site.</obo:IAO_0000115>
<rdfs:comment>Note the difference from a total ratio or percentage of the occupancy of a site in the crystal structure (as defined in CIF)</rdfs:comment>
<rdfs:label>Occupancy</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/Plane -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/Plane">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">In mathematics, a plane is a two-dimensional space or flat surface that extends indefinitely.</obo:IAO_0000115>
<obo:OBCS_0000221 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">𝑎 𝑥 + 𝑏 𝑦 + 𝑐 𝑧 + 𝑑 = 0</obo:OBCS_0000221>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The equation of a plane is 𝑎 𝑥 + 𝑏 𝑦 + 𝑐 𝑧 + 𝑑 = 0 , where 𝑎 , 𝑏 , and 𝑐 are the components of the normal vector ⃑ 𝑛 = ( 𝑎 , 𝑏 , 𝑐 ) , which is perpendicular to the plane or any vector parallel to the plane.</rdfs:comment>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Plane</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/SimulationCell -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/SimulationCell">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A simulation cell is a representation of the structure or system to be simulated. It is often a three-dimensional box (although not necessarily), where information about the crystal structure and material is contained.</obo:IAO_0000115>
<rdfs:label>Simulation Cell</rdfs:label>
<skos:altLabel>Box</skos:altLabel>
<skos:altLabel>Supercell</skos:altLabel>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/SimulationCellAngle -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/SimulationCellAngle">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Angle"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The simulation cell angle refers to the angles of the simulation cell in each direction.</obo:IAO_0000115>
<rdfs:label>Simulation Cell Angle</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/SimulationCellLength -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/SimulationCellLength">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The simulation cell length refers to the length (dimension) of the simulation cell or box.</obo:IAO_0000115>
<rdfs:label>Simulation Cell Length</rdfs:label>
<skos:altLabel>Box length</skos:altLabel>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/SimulationCellVector -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/SimulationCellVector">
<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Vector"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The simulation cell vector is a vector that defines the simulation cell or box.</obo:IAO_0000115>
<rdfs:comment>Note that it differs from the lattice vector.</rdfs:comment>
<rdfs:label>Simulation Cell Vector</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/SimulationCellVolume -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/SimulationCellVolume">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The simulation cell volume refers to the volume of the simulation cell or box.</obo:IAO_0000115>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Simulation Cell Volume</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/SpaceGroup -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/SpaceGroup">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The space group represents the symmetry properties of the crystal. In three-dimensions, space groups are classified in 230 distinct groups.</obo:IAO_0000115>
<rdfs:label>Space Group</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/Structure -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/Structure">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Structure is the the arrangement of particles or parts in a substance or body.</obo:IAO_0000115>
<obo:IAO_0000119 rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://www.merriam-webster.com/dictionary/structure</obo:IAO_0000119>
<rdfs:label>Structure</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/UnitCell -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/UnitCell">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The unit cell is the smallest repeating unit of the crystal structure which contains the overal symmetry of the crystal. The entire crystal lattice can be generated by repeating the unit cell in three dimensions.</obo:IAO_0000115>
<rdfs:label>Unit Cell</rdfs:label>
</owl:Class>
<!-- http://purls.helmholtz-metadaten.de/cmso/Vector -->
<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/Vector">
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Vector is a quantity that has a magnitude and direction.</obo:IAO_0000115>
<rdfs:label>Vector</rdfs:label>
</owl:Class>
<!-- http://qudt.org/schema/qudt/Unit -->
<owl:Class rdf:about="http://qudt.org/schema/qudt/Unit">
<terms:description rdf:datatype="http://qudt.org/schema/qudt/LatexString">A unit of measure, or unit, is a particular quantity value that has been chosen as a scale for measuring other quantities the same kind (more generally of equivalent dimension). For example, the meter is a quantity of length that has been rigorously defined and standardized by the BIPM (International Board of Weights and Measures). Any measurement of the length can be expressed as a number multiplied by the unit meter. More formally, the value of a physical quantity Q with respect to a unit (U) is expressed as the scalar multiple of a real number (n) and U, as \(Q = nU\).</terms:description>
<rdfs:isDefinedBy rdf:resource="http://qudt.org/2.1/schema/qudt"/>
<rdfs:label>Unit</rdfs:label>
</owl:Class>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Annotations
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#Collection">
<skos:definition xml:lang="en">A meaningful collection of concepts.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#Concept">
<skos:definition xml:lang="en">An idea or notion; a unit of thought.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#ConceptScheme">
<skos:definition xml:lang="en">A set of concepts, optionally including statements about semantic relationships between those concepts.</skos:definition>
<skos:example xml:lang="en">Thesauri, classification schemes, subject heading lists, taxonomies, 'folksonomies', and other types of controlled vocabulary are all examples of concept schemes. Concept schemes are also embedded in glossaries and terminologies.</skos:example>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#OrderedCollection">
<skos:definition xml:lang="en">An ordered collection of concepts, where both the grouping and the ordering are meaningful.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#broadMatch">
<skos:definition xml:lang="en">skos:broadMatch is used to state a hierarchical mapping link between two conceptual resources in different concept schemes.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#broader">
<skos:definition xml:lang="en">Relates a concept to a concept that is more general in meaning.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#broaderTransitive">
<skos:definition>skos:broaderTransitive is a transitive superproperty of skos:broader.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#changeNote">
<skos:definition xml:lang="en">A note about a modification to a concept.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#closeMatch">
<skos:definition xml:lang="en">skos:closeMatch is used to link two concepts that are sufficiently similar that they can be used interchangeably in some information retrieval applications. In order to avoid the possibility of "compound errors" when combining mappings across more than two concept schemes, skos:closeMatch is not declared to be a transitive property.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#editorialNote">
<skos:definition xml:lang="en">A note for an editor, translator or maintainer of the vocabulary.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#exactMatch">
<skos:definition xml:lang="en">skos:exactMatch is used to link two concepts, indicating a high degree of confidence that the concepts can be used interchangeably across a wide range of information retrieval applications. skos:exactMatch is a transitive property, and is a sub-property of skos:closeMatch.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#hasTopConcept">
<skos:definition xml:lang="en">Relates, by convention, a concept scheme to a concept which is topmost in the broader/narrower concept hierarchies for that scheme, providing an entry point to these hierarchies.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#hiddenLabel">
<skos:definition xml:lang="en">A lexical label for a resource that should be hidden when generating visual displays of the resource, but should still be accessible to free text search operations.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#historyNote">
<skos:definition xml:lang="en">A note about the past state/use/meaning of a concept.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#inScheme">
<skos:definition xml:lang="en">Relates a resource (for example a concept) to a concept scheme in which it is included.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#mappingRelation">
<skos:definition xml:lang="en">Relates two concepts coming, by convention, from different schemes, and that have comparable meanings</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#member">
<skos:definition xml:lang="en">Relates a collection to one of its members.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#memberList">
<skos:definition xml:lang="en">Relates an ordered collection to the RDF list containing its members.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#narrowMatch">
<skos:definition xml:lang="en">skos:narrowMatch is used to state a hierarchical mapping link between two conceptual resources in different concept schemes.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#narrower">
<skos:definition xml:lang="en">Relates a concept to a concept that is more specific in meaning.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#narrowerTransitive">
<skos:definition>skos:narrowerTransitive is a transitive superproperty of skos:narrower.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#notation">
<skos:definition xml:lang="en">A notation, also known as classification code, is a string of characters such as "T58.5" or "303.4833" used to uniquely identify a concept within the scope of a given concept scheme.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#related">
<skos:definition xml:lang="en">Relates a concept to a concept with which there is an associative semantic relationship.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#relatedMatch">
<skos:definition xml:lang="en">skos:relatedMatch is used to state an associative mapping link between two conceptual resources in different concept schemes.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#scopeNote">
<skos:definition xml:lang="en">A note that helps to clarify the meaning and/or the use of a concept.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#semanticRelation">
<skos:definition xml:lang="en">Links a concept to a concept related by meaning.</skos:definition>
</rdf:Description>
<rdf:Description rdf:about="http://www.w3.org/2004/02/skos/core#topConceptOf">
<skos:definition xml:lang="en">Relates a concept to the concept scheme that it is a top level concept of.</skos:definition>
</rdf:Description>
</rdf:RDF>
<!-- Generated by the OWL API (version 4.5.9.2019-02-01T07:24:44Z) https://github.com/owlcs/owlapi -->
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