| <?xml version="1.0"?> | |
| <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" | |
| xmlns:xsd="http://www.w3.org/2001/XMLSchema#" | |
| xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" | |
| xmlns:owl="http://www.w3.org/2002/07/owl#" | |
| xml:base="https://raw.githubusercontent.com/daimoners/MAMBO/master/mambo.owl" | |
| xmlns:mambo="https://raw.githubusercontent.com/daimoners/MAMBO/master/mambo.owl#"> | |
| <owl:Ontology rdf:about="https://raw.githubusercontent.com/daimoners/MAMBO/master/mambo.owl"/> | |
| <owl:ObjectProperty rdf:about="#has_barostat"> | |
| <rdfs:domain rdf:resource="#Algorithm"/> | |
| <rdfs:range rdf:resource="#Barostat"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_barostat</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_thermostat"> | |
| <rdfs:domain rdf:resource="#Algorithm"/> | |
| <rdfs:range rdf:resource="#Thermostat"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_thermostat</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_integrated_atom"> | |
| <rdfs:domain rdf:resource="#ExternalCoupling"/> | |
| <rdfs:range rdf:resource="#Atom"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_integrated_atom</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_ensemble"> | |
| <rdfs:domain rdf:resource="#MolecularDynamics"/> | |
| <rdfs:range rdf:resource="#SimulationEnsemble"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_ensemble</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_integrator"> | |
| <rdfs:domain rdf:resource="#MolecularDynamics"/> | |
| <rdfs:range rdf:resource="#Integrator"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_integrator</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_coordinates"> | |
| <rdfs:domain rdf:resource="#Atom"/> | |
| <rdfs:range rdf:resource="#SphericalCoordinates"/> | |
| <rdfs:range rdf:resource="#CartesianCoordinates"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_coordinates</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_COM_coordinates"> | |
| <rdfs:domain rdf:resource="#MolecularSystem"/> | |
| <rdfs:range rdf:resource="#SphericalCoordinates"/> | |
| <rdfs:range rdf:resource="#CartesianCoordinates"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_COM_coordinates</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_bond"> | |
| <rdfs:domain rdf:resource="#MolecularSystem"/> | |
| <rdfs:domain rdf:resource="#FunctionalGroup"/> | |
| <rdfs:range rdf:resource="#Bond"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_bond</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_angle"> | |
| <rdfs:domain rdf:resource="#MolecularSystem"/> | |
| <rdfs:domain rdf:resource="#FunctionalGroup"/> | |
| <rdfs:range rdf:resource="#Angle"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_angle</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_dihedral"> | |
| <rdfs:domain rdf:resource="#MolecularSystem"/> | |
| <rdfs:domain rdf:resource="#FunctionalGroup"/> | |
| <rdfs:range rdf:resource="#Dihedral"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_dihedral</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#first_atom"> | |
| <rdfs:domain rdf:resource="#Angle"/> | |
| <rdfs:domain rdf:resource="#Bond"/> | |
| <rdfs:domain rdf:resource="#Dihedral"/> | |
| <rdfs:range rdf:resource="#Atom"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">first_atom</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#second_atom"> | |
| <rdfs:domain rdf:resource="#Angle"/> | |
| <rdfs:domain rdf:resource="#Bond"/> | |
| <rdfs:domain rdf:resource="#Dihedral"/> | |
| <rdfs:range rdf:resource="#Atom"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">second_atom</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#third_atom"> | |
| <rdfs:domain rdf:resource="#Angle"/> | |
| <rdfs:domain rdf:resource="#Dihedral"/> | |
| <rdfs:range rdf:resource="#Atom"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">third_atom</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#fourth_atom"> | |
| <rdfs:domain rdf:resource="#Dihedral"/> | |
| <rdfs:range rdf:resource="#Atom"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">fourth_atom</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_interaction_potential"> | |
| <rdfs:domain rdf:resource="#ComputationalMethod"/> | |
| <rdfs:range rdf:resource="#InteractionPotential"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_interaction_potential</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#corresponds_to_dihedral"> | |
| <rdfs:domain rdf:resource="#FourBody"/> | |
| <rdfs:range rdf:resource="#Dihedral"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">corresponds_to_bond</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#corresponds_to_angle"> | |
| <rdfs:domain rdf:resource="#ThreeBody"/> | |
| <rdfs:range rdf:resource="#Angle"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">corresponds_to_angle</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#corresponds_to_bond"> | |
| <rdfs:domain rdf:resource="#TwoBody"/> | |
| <rdfs:range rdf:resource="#Bond"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">corresponds_to_bond</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_component"> | |
| <rdfs:domain rdf:resource="#NonBondedPotential"/> | |
| <rdfs:domain rdf:resource="#BondedPotential"/> | |
| <rdfs:range rdf:resource="#PotentialComponent"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_component</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_computational_input"> | |
| <rdfs:domain rdf:resource="#Simulation"/> | |
| <rdfs:range rdf:resource="#Structure"/> | |
| <rdfs:range rdf:resource="#MaterialProperty"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_computational_input</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_computational_output"> | |
| <rdfs:domain rdf:resource="#Simulation"/> | |
| <rdfs:range rdf:resource="#Structure"/> | |
| <rdfs:range rdf:resource="#MaterialProperty"/> | |
| <owl:inverseOf rdf:resource="#is_computed_by"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_computational_output</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_experimental_input"> | |
| <rdfs:domain rdf:resource="#Experiment"/> | |
| <rdfs:range rdf:resource="#Structure"/> | |
| <rdfs:range rdf:resource="#MaterialProperty"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_experimental_input</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_experimental_output"> | |
| <rdfs:domain rdf:resource="#Experiment"/> | |
| <rdfs:range rdf:resource="#Structure"/> | |
| <rdfs:range rdf:resource="#MaterialProperty"/> | |
| <owl:inverseOf rdf:resource="#is_measured_by"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_experimental_output</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_property"> | |
| <rdfs:domain rdf:resource="#Material"/> | |
| <rdfs:range rdf:resource="#MaterialProperty"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_property</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_structural_entity"> | |
| <rdfs:domain rdf:resource="#Structure"/> | |
| <rdfs:range rdf:resource="#StructuralEntity"/> | |
| <owl:inverseOf rdf:resource="#is_structural_entity_of"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_structural_entity</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_structural_atom"> | |
| <rdfs:subPropertyOf rdf:resource="#has_structural_entity"/> | |
| <rdfs:domain rdf:resource="#Structure"/> | |
| <rdfs:range rdf:resource="#Atom"/> | |
| <owl:inverseOf rdf:resource="#is_structural_atom_of"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_structural_atom</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_structural_particle"> | |
| <rdfs:subPropertyOf rdf:resource="#has_structural_entity"/> | |
| <rdfs:domain rdf:resource="#Structure"/> | |
| <rdfs:range rdf:resource="#Particle"/> | |
| <owl:inverseOf rdf:resource="#is_structural_particle_of"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_structural_functional_group</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_structural_functional_group"> | |
| <rdfs:subPropertyOf rdf:resource="#has_structural_entity"/> | |
| <rdfs:domain rdf:resource="#Structure"/> | |
| <rdfs:range rdf:resource="#FunctionalGroup"/> | |
| <owl:inverseOf rdf:resource="#is_structural_functional_group_of"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_structural_functional_group</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_structural_molecular_system"> | |
| <rdfs:subPropertyOf rdf:resource="#has_structural_entity"/> | |
| <rdfs:domain rdf:resource="#Structure"/> | |
| <rdfs:range rdf:resource="#MolecularSystem"/> | |
| <owl:inverseOf rdf:resource="#is_structural_molecular_system_of"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_structural_molecular_system</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#is_structural_entity_of"> | |
| <rdfs:domain rdf:resource="#StructuralEntity"/> | |
| <rdfs:range rdf:resource="#Structure"/> | |
| <owl:inverseOf rdf:resource="#has_structural_entity"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">is_structural_entity_of</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#is_structural_atom_of"> | |
| <rdfs:domain rdf:resource="#Atom"/> | |
| <rdfs:range rdf:resource="#Structure"/> | |
| <owl:inverseOf rdf:resource="#has_structural_atom"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">is_structural_atom_of</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#is_structural_particle_of"> | |
| <rdfs:domain rdf:resource="#Particle"/> | |
| <rdfs:range rdf:resource="#Structure"/> | |
| <owl:inverseOf rdf:resource="#has_structural_particle"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">is_structural_particle_of</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#is_structural_functional_group_of"> | |
| <rdfs:domain rdf:resource="#FunctionalGroup"/> | |
| <rdfs:range rdf:resource="#Structure"/> | |
| <owl:inverseOf rdf:resource="#has_structural_functional_group"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">is_structural_functional_group_of</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#is_structural_molecular_system_of"> | |
| <rdfs:domain rdf:resource="#MolecularSystem"/> | |
| <rdfs:range rdf:resource="#Structure"/> | |
| <owl:inverseOf rdf:resource="#has_structural_molecular_system"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">is_structural_functional_group_of</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_structure"> | |
| <rdfs:domain rdf:resource="#Material"/> | |
| <rdfs:range rdf:resource="#Structure"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_structure</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#is_part_of"> | |
| <rdfs:domain rdf:resource="#StructuralEntity"/> | |
| <rdfs:range rdf:resource="#StructuralEntity"/> | |
| <owl:inverseOf rdf:resource="#has_subunit"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">is_part_of</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#is_atom_of"> | |
| <rdfs:subPropertyOf rdf:resource="#is_part_of"/> | |
| <rdfs:domain rdf:resource="#Atom"/> | |
| <rdfs:range rdf:resource="#MolecularSystem"/> | |
| <rdfs:range rdf:resource="#Particle"/> | |
| <rdfs:range rdf:resource="#FunctionalGroup"/> | |
| <rdfs:range rdf:resource="#MolecularAggregate"/> | |
| <owl:inverseOf rdf:resource="#has_atom"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">is_atom_of</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#is_particle_of"> | |
| <rdfs:subPropertyOf rdf:resource="#is_part_of"/> | |
| <rdfs:domain rdf:resource="#Particle"/> | |
| <rdfs:range rdf:resource="#MolecularSystem"/> | |
| <rdfs:range rdf:resource="#FunctionalGroup"/> | |
| <rdfs:range rdf:resource="#MolecularAggregate"/> | |
| <owl:inverseOf rdf:resource="#has_particle"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">is_particle_of</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#is_functional_group_of"> | |
| <rdfs:subPropertyOf rdf:resource="#is_part_of"/> | |
| <rdfs:domain rdf:resource="#FunctionalGroup"/> | |
| <rdfs:range rdf:resource="#MolecularSystem"/> | |
| <rdfs:range rdf:resource="#MolecularAggregate"/> | |
| <owl:inverseOf rdf:resource="#has_functional_group"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">is_functional_group_of</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#is_molecular_system_of"> | |
| <rdfs:subPropertyOf rdf:resource="#is_part_of"/> | |
| <rdfs:domain rdf:resource="#MolecularSystem"/> | |
| <rdfs:range rdf:resource="#MolecularAggregate"/> | |
| <owl:inverseOf rdf:resource="#has_molecular_system"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">is_molecular_system_of</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_subunit"> | |
| <owl:inverseOf rdf:resource="#is_part_of"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_subunit</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_atom"> | |
| <rdfs:domain rdf:resource="#MolecularSystem"/> | |
| <rdfs:domain rdf:resource="#Particle"/> | |
| <rdfs:domain rdf:resource="#FunctionalGroup"/> | |
| <rdfs:domain rdf:resource="#MolecularAggregate"/> | |
| <rdfs:range rdf:resource="#Atom"/> | |
| <owl:inverseOf rdf:resource="#is_atom_of"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_atom</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_particle"> | |
| <rdfs:domain rdf:resource="#MolecularSystem"/> | |
| <rdfs:domain rdf:resource="#FunctionalGroup"/> | |
| <rdfs:domain rdf:resource="#MolecularAggregate"/> | |
| <rdfs:range rdf:resource="#Particle"/> | |
| <owl:inverseOf rdf:resource="#is_particle_of"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_particle</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_functional_group"> | |
| <rdfs:domain rdf:resource="#MolecularSystem"/> | |
| <rdfs:domain rdf:resource="#MolecularAggregate"/> | |
| <rdfs:range rdf:resource="#FunctionalGroup"/> | |
| <owl:inverseOf rdf:resource="#is_functional_group_of"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_functional_group</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#has_molecular_system"> | |
| <rdfs:domain rdf:resource="#MolecularAggregate"/> | |
| <rdfs:range rdf:resource="#MolecularSystem"/> | |
| <owl:inverseOf rdf:resource="#is_molecular_system_of"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_molecular_system</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#is_computed_by"> | |
| <rdfs:domain rdf:resource="#Structure"/> | |
| <rdfs:domain rdf:resource="#MaterialProperty"/> | |
| <rdfs:range rdf:resource="#Simulation"/> | |
| <owl:inverseOf rdf:resource="#has_computational_output"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">is_computed_by</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#is_measured_by"> | |
| <rdfs:domain rdf:resource="#Structure"/> | |
| <rdfs:domain rdf:resource="#MaterialProperty"/> | |
| <rdfs:range rdf:resource="#Experiment"/> | |
| <owl:inverseOf rdf:resource="#has_experimental_output"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">is_measured_by</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#use_algorithm"> | |
| <rdfs:domain rdf:resource="#ComputationalMethod"/> | |
| <rdfs:range rdf:resource="#Algorithm"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">use_algorithm</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#use_computational_method"> | |
| <rdfs:domain rdf:resource="#Simulation"/> | |
| <rdfs:range rdf:resource="#ComputationalMethod"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">use_computational_method</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:ObjectProperty rdf:about="#use_experimental_method"> | |
| <rdfs:domain rdf:resource="#Experiment"/> | |
| <rdfs:range rdf:resource="#ExperimentalMethod"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">use_experimental_method</rdfs:label> | |
| </owl:ObjectProperty> | |
| <owl:DatatypeProperty rdf:about="#atomic_number"> | |
| <rdfs:domain rdf:resource="#Atom"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">atomic_number</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#algorithm_type"> | |
| <rdfs:domain rdf:resource="#Algorithm"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">algorithm_type</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#charge"> | |
| <rdfs:domain rdf:resource="#Particle"/> | |
| <rdfs:domain rdf:resource="#MolecularSystem"/> | |
| <rdfs:domain rdf:resource="#FunctionalGroup"/> | |
| <rdfs:domain rdf:resource="#Atom"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| at | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">charge</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#composition"> | |
| <rdfs:domain rdf:resource="#MolecularSystem"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">composition</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#pressure"> | |
| <rdfs:domain rdf:resource="#Barostat"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">pressure</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#target_pressure"> | |
| <rdfs:domain rdf:resource="#Barostat"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">target_pressure</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#temperature"> | |
| <rdfs:domain rdf:resource="#Thermostat"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">temperature</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#target_temperature"> | |
| <rdfs:domain rdf:resource="#Thermostat"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">target_temperature</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#time_constant"> | |
| <rdfs:domain rdf:resource="#ExternalCoupling"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">time_constant</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#X"> | |
| <rdfs:domain rdf:resource="#CartesianCoordinates"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">X</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#Y"> | |
| <rdfs:domain rdf:resource="#CartesianCoordinates"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Y</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#Z"> | |
| <rdfs:domain rdf:resource="#CartesianCoordinates"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Z</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#polar_angle"> | |
| <rdfs:domain rdf:resource="#SphericalCoordinates"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">polar_angle</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#azimuthal_angle"> | |
| <rdfs:domain rdf:resource="#SphericalCoordinates"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">azimuthal_angle</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#real_part"> | |
| <rdfs:domain rdf:resource="#Quaternion"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">real_part</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#i"> | |
| <rdfs:domain rdf:resource="#Quaternion"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">i</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#j"> | |
| <rdfs:domain rdf:resource="#Quaternion"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">j</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#k"> | |
| <rdfs:domain rdf:resource="#Quaternion"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">k</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#element_11"> | |
| <rdfs:domain rdf:resource="#RotationMatrix"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">element_11</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#element_12"> | |
| <rdfs:domain rdf:resource="#RotationMatrix"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">element_12</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#element_13"> | |
| <rdfs:domain rdf:resource="#RotationMatrix"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">element_13</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#element_21"> | |
| <rdfs:domain rdf:resource="#RotationMatrix"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">element_21</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#element_22"> | |
| <rdfs:domain rdf:resource="#RotationMatrix"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">element_22</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#element_23"> | |
| <rdfs:domain rdf:resource="#RotationMatrix"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">element_23</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#element_31"> | |
| <rdfs:domain rdf:resource="#RotationMatrix"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">element_31</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#element_32"> | |
| <rdfs:domain rdf:resource="#RotationMatrix"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">element_32</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#element_33"> | |
| <rdfs:domain rdf:resource="#RotationMatrix"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">element_33</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#interaction_potential_type"> | |
| <rdfs:domain rdf:resource="#InteractionPotential"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">interaction_potential_type</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#dihedral_coefficient_1"> | |
| <rdfs:domain rdf:resource="#FourBody"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">dihedral_coefficient_1</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#dihedral_coefficient_2"> | |
| <rdfs:domain rdf:resource="#FourBody"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">dihedral_coefficient_2</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#dihedral_coefficient_3"> | |
| <rdfs:domain rdf:resource="#FourBody"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">dihedral_coefficient_3</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#dihedral_coefficient_4"> | |
| <rdfs:domain rdf:resource="#FourBody"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">dihedral_coefficient_4</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#dihedral_coefficient_5"> | |
| <rdfs:domain rdf:resource="#FourBody"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">dihedral_coefficient_5</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#dihedral_coefficient_6"> | |
| <rdfs:domain rdf:resource="#FourBody"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">dihedral_coefficient_6</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#equilibrium_value"> | |
| <rdfs:domain rdf:resource="#ThreeBody"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">equilibrium_value</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#bond_type"> | |
| <rdfs:domain rdf:resource="#TwoBody"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">bond_type</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#epsilon"> | |
| <rdfs:domain rdf:resource="#TwoBody"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">epsilon</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#equilibrium_distance"> | |
| <rdfs:domain rdf:resource="#TwoBody"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">equilibrium_distance</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#force_constant"> | |
| <rdfs:domain rdf:resource="#TwoBody"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">force_constant</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#sigma"> | |
| <rdfs:domain rdf:resource="#TwoBody"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">sigma</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#energy_threshold"> | |
| <rdfs:domain rdf:resource="#Algorithm"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">energy_threshold</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#formula"> | |
| <rdfs:domain rdf:resource="#MolecularSystem"/> | |
| <rdfs:domain rdf:resource="#Particle"/> | |
| <rdfs:domain rdf:resource="#FunctionalGroup"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">formula</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#ID"> | |
| <rdfs:domain rdf:resource="#Simulation"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">ID</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#log"> | |
| <rdfs:domain rdf:resource="#Experiment"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">log</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#max_number_of_steps"> | |
| <rdfs:domain rdf:resource="#Algorithm"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">max_number_of_steps</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#number_of_molecules"> | |
| <rdfs:domain rdf:resource="#MolecularAggregate"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">number_of_molecules</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#number_of_atoms"> | |
| <rdfs:domain rdf:resource="#MolecularSystem"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">number_of_atoms</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#number_of_timesteps"> | |
| <rdfs:domain rdf:resource="#Algorithm"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">number_of_timesteps</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#purpose"> | |
| <rdfs:domain rdf:resource="#Material"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">purpose</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#radial_distance"> | |
| <rdfs:domain rdf:resource="#SphericalCoordinates"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">radial_distance</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#spacegroup"> | |
| <rdfs:domain rdf:resource="#Structure"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">spacegroup</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#symbol"> | |
| <rdfs:domain rdf:resource="#Atom"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">symbol</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#unit"> | |
| <rdfs:domain rdf:resource="#MaterialProperty"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">unit</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:DatatypeProperty rdf:about="#value"> | |
| <rdfs:domain rdf:resource="#MaterialProperty"/> | |
| <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">value</rdfs:label> | |
| </owl:DatatypeProperty> | |
| <owl:Class rdf:about="#Material"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Material</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Structure"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Structure</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Crystal"> | |
| <rdfs:subClassOf rdf:resource="#Structure"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Crystal</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#MolecularAggregate"> | |
| <rdfs:subClassOf rdf:resource="#Structure"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MolecularAggregate</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#StructuralEntity"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">StructuralEntity</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Atom"> | |
| <rdfs:subClassOf rdf:resource="#StructuralEntity"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Atom</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#MolecularSystem"> | |
| <rdfs:subClassOf rdf:resource="#StructuralEntity"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MolecularSystem</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Particle"> | |
| <rdfs:subClassOf rdf:resource="#StructuralEntity"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Particle</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#FunctionalGroup"> | |
| <rdfs:subClassOf rdf:resource="#StructuralEntity"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">FunctionalGroup</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#MaterialProperty"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MaterialProperty</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#ChemicalProperty"> | |
| <rdfs:subClassOf rdf:resource="#MaterialProperty"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">ChemicalProperty</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#ElectroMagneticProperty"> | |
| <rdfs:subClassOf rdf:resource="#MaterialProperty"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">ElectroMagneticProperty</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#MechanicalProperty"> | |
| <rdfs:subClassOf rdf:resource="#MaterialProperty"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MechanicalProperty</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Simulation"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Simulation</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#ComputationalMethod"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">ComputationalMethod</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Algorithm"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Algorithm</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#MolecularDynamics"> | |
| <rdfs:subClassOf rdf:resource="#Algorithm"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MolecularDynamics</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Optimizer"> | |
| <rdfs:subClassOf rdf:resource="#Algorithm"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Optimizer</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#StructureManipulation"> | |
| <rdfs:subClassOf rdf:resource="#Algorithm"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">StructureManipulation</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#SimulationEnsemble"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">SimulationEnsemble</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#NPT"> | |
| <rdfs:subClassOf rdf:resource="#SimulationEnsemble"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NPT</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#NVT"> | |
| <rdfs:subClassOf rdf:resource="#SimulationEnsemble"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NVT</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#NVE"> | |
| <rdfs:subClassOf rdf:resource="#SimulationEnsemble"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NVE</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#ExternalCoupling"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">ExternalCoupling</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Barostat"> | |
| <rdfs:subClassOf rdf:resource="#ExternalCoupling"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Barostat</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Thermostat"> | |
| <rdfs:subClassOf rdf:resource="#ExternalCoupling"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Thermostat</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Integrator"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Integrator</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Experiment"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Experiment</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Continuant"> | |
| <rdfs:subClassOf rdf:resource="#Experiment"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Continuant</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#ContinuantFiatBoundary"> | |
| <rdfs:subClassOf rdf:resource="#Experiment"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">ContinuantFiatBoundary</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Process"> | |
| <rdfs:subClassOf rdf:resource="#Experiment"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Process</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#ExperimentalMethod"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">ExperimentalMethod</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#ElectricalMethod"> | |
| <rdfs:subClassOf rdf:resource="#ExperimentalMethod"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">ElectricalMethod</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#TOF"> | |
| <rdfs:subClassOf rdf:resource="#ElectricalMethod"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">TOF</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#OpticalMethod"> | |
| <rdfs:subClassOf rdf:resource="#ExperimentalMethod"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">OpticalMethod</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Coordinates"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Coordinates</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#CartesianCoordinates"> | |
| <rdfs:subClassOf rdf:resource="#Coordinates"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">CartesianCoordinates</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#SphericalCoordinates"> | |
| <rdfs:subClassOf rdf:resource="#Coordinates"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">SphericalCoordinates</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Orientation"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Orientation</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Quaternion"> | |
| <rdfs:subClassOf rdf:resource="#Orientation"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Quaternion</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#RotationMatrix"> | |
| <rdfs:subClassOf rdf:resource="#Orientation"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">RotationMatrix</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#TopologicalEntities"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">TopologicalEntities</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Bond"> | |
| <rdfs:subClassOf rdf:resource="#TopologicalEntities"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Bond</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Angle"> | |
| <rdfs:subClassOf rdf:resource="#TopologicalEntities"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Angle</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#Dihedral"> | |
| <rdfs:subClassOf rdf:resource="#TopologicalEntities"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Dihedral</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#LatticeParameter"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">LatticeParameter</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#InteractionPotential"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">InteractionPotential</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#MolecularMechanics"> | |
| <rdfs:subClassOf rdf:resource="#InteractionPotential"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MolecularMechanics</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#BondedPotential"> | |
| <rdfs:subClassOf rdf:resource="#MolecularMechanics"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">BondedPotential</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#NonBondedPotential"> | |
| <rdfs:subClassOf rdf:resource="#MolecularMechanics"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NonBondedPotential</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#QuantumMechanics"> | |
| <rdfs:subClassOf rdf:resource="#InteractionPotential"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">QuantumMechanics</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#DFT"> | |
| <rdfs:subClassOf rdf:resource="#QuantumMechanics"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">DFT</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#HartreeFock"> | |
| <rdfs:subClassOf rdf:resource="#QuantumMechanics"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">HartreeFock</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#PotentialComponent"> | |
| <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">PotentialComponent</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#FourBody"> | |
| <rdfs:subClassOf rdf:resource="#PotentialComponent"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">FourBody</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#ThreeBody"> | |
| <rdfs:subClassOf rdf:resource="#PotentialComponent"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">ThreeBody</rdfs:label> | |
| </owl:Class> | |
| <owl:Class rdf:about="#TwoBody"> | |
| <rdfs:subClassOf rdf:resource="#PotentialComponent"/> | |
| <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">TwoBody</rdfs:label> | |
| </owl:Class> | |
| </rdf:RDF> | |