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update properties
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‎cmso.owl

Lines changed: 80 additions & 91 deletions
Original file line numberDiff line numberDiff line change
@@ -342,6 +342,17 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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<!-- http://purls.helmholtz-metadaten.de/cdos/cdco/hasCrystallographicDefect -->
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<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cdos/cdco/hasCrystallographicDefect">
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<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cdos/cdco/CrystallineMaterial"/>
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<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cdos/cdco/CrystallographicDefect"/>
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<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>
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<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has crystallographic defect</rdfs:label>
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</owl:ObjectProperty>
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<!-- http://purls.helmholtz-metadaten.de/cmso/hasAngle -->
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<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasAngle">
@@ -382,30 +393,6 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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<!-- http://purls.helmholtz-metadaten.de/cmso/hasCalculatedProperty -->
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<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasCalculatedProperty">
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<owl:inverseOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/isCalculatedPropertyOf"/>
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<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ComputationalSample"/>
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<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/CalculatedProperty"/>
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<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a computational sample and the calculated property.</obo:IAO_0000115>
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<rdfs:label>has calculated property</rdfs:label>
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</owl:ObjectProperty>
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<!-- http://purls.helmholtz-metadaten.de/cmso/hasDefect -->
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<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasDefect">
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<owl:inverseOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/isDefectOf"/>
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<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/CrystallineMaterial"/>
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<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/CrystalDefect"/>
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<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a crystalline material and the crystal defects it contains.</obo:IAO_0000115>
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<rdfs:label>has defect</rdfs:label>
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</owl:ObjectProperty>
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<!-- http://purls.helmholtz-metadaten.de/cmso/hasElement -->
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<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasElement">
@@ -432,9 +419,9 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasLength">
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<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCell"/>
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<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Length"/>
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<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCellLength"/>
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<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a simulation cell and its length.</obo:IAO_0000115>
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<rdfs:label>has length</rdfs:label>
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<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has simulation cell length</rdfs:label>
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</owl:ObjectProperty>
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@@ -474,6 +461,17 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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<!-- http://purls.helmholtz-metadaten.de/cmso/hasSimulationCellVolume -->
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<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasSimulationCellVolume">
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<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCell"/>
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<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCellVolume"/>
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<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a simulation cell and its volume.</obo:IAO_0000115>
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<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has simulation cell volume</rdfs:label>
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</owl:ObjectProperty>
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<!-- http://purls.helmholtz-metadaten.de/cmso/hasSpaceGroup -->
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<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasSpaceGroup">
@@ -510,17 +508,7 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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<!-- http://purls.helmholtz-metadaten.de/cmso/hasUnit -->
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<owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasUnit">
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<rdfs:domain>
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<owl:Class>
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<owl:unionOf rdf:parseType="Collection">
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<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/Angle"/>
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<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute"/>
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<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/CalculatedProperty"/>
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<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/Length"/>
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<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/Vector"/>
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</owl:unionOf>
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</owl:Class>
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</rdfs:domain>
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<rdfs:domain rdf:resource="http://www.w3.org/2002/07/owl#Thing"/>
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<rdfs:range rdf:resource="http://qudt.org/schema/qudt/Unit"/>
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<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A relation indicating the unit.</obo:IAO_0000115>
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<rdfs:label>has unit</rdfs:label>
@@ -551,7 +539,7 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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</owl:Class>
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</rdfs:domain>
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<rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Vector"/>
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<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between a simulation or unit cell and its vectors.</obo:IAO_0000115>
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<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The relation between an entity and its vectors.</obo:IAO_0000115>
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<rdfs:label>has vector</rdfs:label>
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</owl:ObjectProperty>
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@@ -742,14 +730,7 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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<!-- http://purls.helmholtz-metadaten.de/cmso/hasLength_x -->
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<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasLength_x">
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<rdfs:domain>
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<owl:Class>
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<owl:unionOf rdf:parseType="Collection">
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<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/LatticeParameter"/>
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<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/Length"/>
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</owl:unionOf>
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</owl:Class>
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</rdfs:domain>
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<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCellLength"/>
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<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
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<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>
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<rdfs:label>has length x</rdfs:label>
@@ -760,14 +741,7 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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<!-- http://purls.helmholtz-metadaten.de/cmso/hasLength_y -->
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<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasLength_y">
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<rdfs:domain>
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<owl:Class>
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<owl:unionOf rdf:parseType="Collection">
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<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/LatticeParameter"/>
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<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/Length"/>
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</owl:unionOf>
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</owl:Class>
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</rdfs:domain>
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<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCellLength"/>
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<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
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<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>
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<rdfs:label>has length y</rdfs:label>
@@ -778,14 +752,7 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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<!-- http://purls.helmholtz-metadaten.de/cmso/hasLength_z -->
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<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasLength_z">
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<rdfs:domain>
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<owl:Class>
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<owl:unionOf rdf:parseType="Collection">
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<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/LatticeParameter"/>
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<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/Length"/>
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</owl:unionOf>
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</owl:Class>
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</rdfs:domain>
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<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCellLength"/>
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<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
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<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>
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<rdfs:label>has length z</rdfs:label>
@@ -905,12 +872,34 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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<!-- http://purls.helmholtz-metadaten.de/cmso/hasVacuumDirection -->
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<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasVacuumDirection">
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<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCell"/>
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<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
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<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>
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<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has vacuum direction</rdfs:label>
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</owl:DatatypeProperty>
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<!-- http://purls.helmholtz-metadaten.de/cmso/hasVacuumLength -->
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<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasVacuumLength">
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<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/SimulationCell"/>
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<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
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<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>
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<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has vacuum length</rdfs:label>
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</owl:DatatypeProperty>
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<!-- http://purls.helmholtz-metadaten.de/cmso/hasValue -->
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<owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasValue">
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<rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/CalculatedProperty"/>
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<rdfs:domain rdf:resource="http://www.w3.org/2002/07/owl#Thing"/>
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<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
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<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking a calculated property to its value.</obo:IAO_0000115>
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<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A data property linking an entity to its value.</obo:IAO_0000115>
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<rdfs:label>has value</rdfs:label>
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</owl:DatatypeProperty>
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@@ -950,6 +939,24 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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<!-- http://purls.helmholtz-metadaten.de/cdos/cdco/CrystallineMaterial -->
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<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cdos/cdco/CrystallineMaterial">
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<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>
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<rdfs:label>Crystalline Material</rdfs:label>
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</owl:Class>
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<!-- http://purls.helmholtz-metadaten.de/cdos/cdco/CrystallographicDefect -->
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<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cdos/cdco/CrystallographicDefect">
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<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>
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<rdfs:label>Crystallographic Defect</rdfs:label>
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</owl:Class>
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<!-- http://purls.helmholtz-metadaten.de/cmso/AmorphousMaterial -->
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<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/AmorphousMaterial">
@@ -1041,15 +1048,6 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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<!-- http://purls.helmholtz-metadaten.de/cmso/CalculatedProperty -->
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<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/CalculatedProperty">
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<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A calculated property is a property of a material resulting from a calculation or simulation.</obo:IAO_0000115>
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<rdfs:label>Calculated Property</rdfs:label>
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</owl:Class>
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<!-- http://purls.helmholtz-metadaten.de/cmso/ChemicalComposition -->
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<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/ChemicalComposition">
@@ -1146,14 +1144,6 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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<!-- http://purls.helmholtz-metadaten.de/cmso/LatticeParameter -->
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<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/LatticeParameter">
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<rdfs:subClassOf>
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<owl:Class>
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<owl:unionOf rdf:parseType="Collection">
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<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/Length"/>
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<rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/UnitCell"/>
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</owl:unionOf>
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</owl:Class>
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</rdfs:subClassOf>
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<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>
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<rdfs:comment>The lattice angles can also be considered lattice parameters (see Lattice Angle)</rdfs:comment>
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<rdfs:label>Lattice Parameter</rdfs:label>
@@ -1183,15 +1173,6 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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<!-- http://purls.helmholtz-metadaten.de/cmso/Length -->
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<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/Length">
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<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Length is a measure of distance.</obo:IAO_0000115>
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<rdfs:label>Length</rdfs:label>
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</owl:Class>
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<!-- http://purls.helmholtz-metadaten.de/cmso/MacroscaleSample -->
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<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/MacroscaleSample">
@@ -1322,7 +1303,6 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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<!-- http://purls.helmholtz-metadaten.de/cmso/SimulationCellLength -->
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<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/SimulationCellLength">
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<rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Length"/>
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<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>
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<rdfs:label>Simulation Cell Length</rdfs:label>
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<skos:altLabel>Box length</skos:altLabel>
@@ -1341,6 +1321,15 @@ f(x) = 1/(√(2 π) σ) e^-((x - μ)^2/(2 σ^2))</obo:IAO_0000112>
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<!-- http://purls.helmholtz-metadaten.de/cmso/SimulationCellVolume -->
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<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/SimulationCellVolume">
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<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>
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<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Simulation Cell Volume</rdfs:label>
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</owl:Class>
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<!-- http://purls.helmholtz-metadaten.de/cmso/SpaceGroup -->
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<owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/SpaceGroup">

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