@mat3ra/esse 2025.8.20-0 → 2025.11.7-0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/js/example/apse/db/materials_project/2025.9.25/summary.json +1172 -0
- package/dist/js/example/apse/db/materials_project/legacy/material.json +234 -0
- package/dist/js/example/element.json +2 -1
- package/dist/js/example/properties_directory/elemental/ionization_potential.json +2 -1
- package/dist/js/example/properties_directory/workflow/convergence/electronic.json +1 -0
- package/dist/js/example/properties_directory/workflow/convergence/ionic.json +1 -0
- package/dist/js/example/property/{base.json → holder.json} +10 -8
- package/dist/js/example/workflow/unit/io/object_storage.json +2 -1
- package/dist/js/schema/apse/db/materials_project/2025.9.25/summary.json +2803 -0
- package/dist/js/schema/apse/db/materials_project/legacy/material.json +297 -0
- package/dist/js/schema/apse/db/third_party_sources.json +20 -0
- package/dist/js/schema/core/abstract/2d_data.json +15 -5
- package/dist/js/schema/core/abstract/2d_plot.json +15 -10
- package/dist/js/schema/core/primitive/1d_data_series.json +1 -4
- package/dist/js/schema/core/{reusable/axis_enum.json → primitive/axis_3d_names_enum.json} +1 -1
- package/dist/js/schema/core/reference/exabyte.json +4 -4
- package/dist/js/schema/core/reusable/{coordinate_conditions.json → coordinate_conditions/index.json} +1 -1
- package/dist/js/schema/core/reusable/energy.json +1 -1
- package/dist/js/schema/core/{abstract → reusable}/kpoint.json +1 -1
- package/dist/js/schema/definitions/{materials.json → material.json} +1 -1
- package/dist/js/schema/element.json +5 -2
- package/dist/js/schema/job.json +168 -187
- package/dist/js/schema/material.json +9 -3
- package/dist/js/schema/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.json +81 -27
- package/dist/js/schema/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.json +81 -27
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/adatom/configuration.json +36 -12
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.json +81 -27
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/island/configuration.json +54 -18
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/terrace/configuration.json +54 -18
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/base_configuration.json +9 -3
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.json +18 -6
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.json +18 -6
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.json +9 -3
- package/dist/js/schema/materials_category/pristine_structures/three_dimensional/ideal_crystal.json +9 -3
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanoribbon.json +27 -9
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanotape.json +18 -6
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab.json +18 -6
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.json +18 -6
- package/dist/js/schema/materials_category/processed_structures/two_dimensional/passivation/configuration.json +18 -6
- package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.json +9 -3
- package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.json +9 -3
- package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/void_region.json +9 -3
- package/dist/js/schema/materials_category_components/entities/core/three_dimensional/crystal.json +9 -3
- package/dist/js/schema/materials_category_components/entities/core/two_dimensional/vacuum.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines_unique_repeated.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/crystal_lattice_base.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_uniform.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/supercell.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.json +9 -3
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.json +27 -9
- package/dist/js/schema/materials_category_components/operations/core/modifications/perturb.json +9 -3
- package/dist/js/schema/methods_directory/physical/psp/file.json +3 -1
- package/dist/js/schema/methods_directory/physical/psp/file_data_item.json +3 -1
- package/dist/js/schema/methods_directory/physical/psp.json +3 -1
- package/dist/js/schema/properties_directory/elemental/atomic_radius.json +1 -0
- package/dist/js/schema/properties_directory/elemental/electronegativity.json +1 -0
- package/dist/js/schema/properties_directory/elemental/ionization_potential.json +3 -2
- package/dist/js/schema/properties_directory/jupyter_notebook_endpoint.json +28 -0
- package/dist/js/schema/properties_directory/non_scalar/average_potential_profile.json +17 -11
- package/dist/js/schema/properties_directory/non_scalar/band_gaps.json +3 -2
- package/dist/js/schema/properties_directory/non_scalar/band_structure.json +18 -11
- package/dist/js/schema/properties_directory/non_scalar/charge_density_profile.json +17 -11
- package/dist/js/schema/properties_directory/non_scalar/density_of_states.json +18 -8
- package/dist/js/schema/properties_directory/non_scalar/dielectric_tensor.json +3 -2
- package/dist/js/schema/properties_directory/non_scalar/file_content.json +2 -1
- package/dist/js/schema/properties_directory/non_scalar/final_structure.json +25 -0
- package/dist/js/schema/properties_directory/non_scalar/hubbard_u.json +4 -2
- package/dist/js/schema/properties_directory/non_scalar/hubbard_v.json +5 -4
- package/dist/js/schema/properties_directory/non_scalar/hubbard_v_nn.json +4 -3
- package/dist/js/schema/properties_directory/non_scalar/is_relaxed.json +25 -0
- package/dist/js/schema/properties_directory/non_scalar/phonon_dispersions.json +17 -11
- package/dist/js/schema/properties_directory/non_scalar/phonon_dos.json +17 -11
- package/dist/js/schema/properties_directory/non_scalar/potential_profile.json +17 -11
- package/dist/js/schema/properties_directory/non_scalar/reaction_energy_profile.json +17 -11
- package/dist/js/schema/properties_directory/non_scalar/stress_tensor.json +6 -1
- package/dist/js/schema/properties_directory/non_scalar/total_energy_contributions.json +26 -4
- package/dist/js/schema/properties_directory/non_scalar/vibrational_spectrum.json +17 -11
- package/dist/js/schema/properties_directory/non_scalar/workflow.json +5503 -0
- package/dist/js/schema/properties_directory/reusable/hubbard_parameters.json +70 -0
- package/dist/js/schema/properties_directory/scalar/electron_affinity.json +2 -2
- package/dist/js/schema/properties_directory/scalar/fermi_energy.json +2 -2
- package/dist/js/schema/properties_directory/scalar/formation_energy.json +2 -2
- package/dist/js/schema/properties_directory/scalar/ionization_potential.json +2 -2
- package/dist/js/schema/properties_directory/scalar/pressure.json +3 -1
- package/dist/js/schema/properties_directory/scalar/reaction_energy_barrier.json +2 -2
- package/dist/js/schema/properties_directory/scalar/surface_energy.json +2 -2
- package/dist/js/schema/properties_directory/scalar/total_energy.json +2 -2
- package/dist/js/schema/properties_directory/scalar/total_force.json +3 -1
- package/dist/js/schema/properties_directory/scalar/valence_band_offset.json +2 -2
- package/dist/js/schema/properties_directory/scalar/zero_point_energy.json +2 -2
- package/dist/js/schema/properties_directory/structural/atomic_forces.json +6 -1
- package/dist/js/schema/properties_directory/structural/basis/atomic_constraints_property.json +4 -0
- package/dist/js/schema/properties_directory/structural/basis/boundary_conditions.json +33 -0
- package/dist/js/schema/properties_directory/structural/lattice/{lattice_vectors.json → units.json} +1 -1
- package/dist/js/schema/properties_directory/structural/magnetic_moments.json +6 -1
- package/dist/js/schema/properties_directory/structural/molecular_pattern.json +12 -3
- package/dist/js/schema/properties_directory/structural/patterns/functional_group.json +3 -0
- package/dist/js/schema/properties_directory/structural/patterns/ring.json +3 -0
- package/dist/js/schema/properties_directory/structural/patterns/special_bond.json +3 -0
- package/dist/js/schema/properties_directory/workflow/convergence/electronic.json +4 -2
- package/dist/js/schema/properties_directory/workflow/convergence/ionic.json +7 -2
- package/dist/js/schema/property/holder.json +7886 -0
- package/dist/js/schema/property/meta_holder.json +244 -0
- package/dist/js/schema/property/proto_holder.json +143 -0
- package/dist/js/schema/property/source.json +9 -6
- package/dist/js/schema/workflow/base_flow.json +162 -177
- package/dist/js/schema/workflow/subworkflow/unit.json +3 -5
- package/dist/js/schema/workflow/subworkflow.json +165 -182
- package/dist/js/schema/workflow/unit/io/db.json +1 -2
- package/dist/js/schema/workflow/unit/io/object_storage.json +1 -2
- package/dist/js/schema/workflow/unit/io.json +3 -5
- package/dist/js/schema/workflow/unit.json +3 -5
- package/dist/js/schema/workflow.json +168 -187
- package/dist/js/schemas.json +1 -1
- package/dist/js/types.d.ts +8514 -1874
- package/dist/js/types.js +1 -1
- package/example/apse/db/materials_project/2025.9.25/summary.json +1172 -0
- package/example/apse/db/materials_project/legacy/material.json +234 -0
- package/example/properties_directory/elemental/ionization_potential.json +2 -1
- package/example/properties_directory/non-scalar/hubbard_v.json +3 -3
- package/example/properties_directory/non-scalar/hubbard_v_nn.json +3 -3
- package/example/properties_directory/workflow/convergence/electronic.json +1 -0
- package/example/properties_directory/workflow/convergence/ionic.json +1 -0
- package/example/property/{base.json → holder.json} +11 -2
- package/example/workflow/unit/io/object_storage.json +2 -1
- package/package.json +3 -3
- package/schema/apse/db/materials_project/2025.9.25/summary.json +1265 -0
- package/schema/apse/db/materials_project/legacy/material.json +297 -0
- package/schema/apse/db/third_party_sources.json +20 -0
- package/schema/core/abstract/2d_data.json +14 -1
- package/schema/core/abstract/2d_plot.json +0 -5
- package/schema/core/primitive/1d_data_series.json +1 -4
- package/schema/core/primitive/axis_3d_names_enum.json +1 -1
- package/schema/core/reference/exabyte.json +5 -5
- package/schema/core/reusable/coordinate_conditions/index.json +2 -2
- package/schema/core/reusable/energy.json +1 -1
- package/schema/core/reusable/kpoint.json +1 -1
- package/schema/definitions/material.json +1 -1
- package/schema/material.json +8 -2
- package/schema/methods_directory/physical/psp/file_data_item.json +3 -1
- package/schema/properties_directory/elemental/atomic_radius.json +4 -1
- package/schema/properties_directory/elemental/electronegativity.json +4 -1
- package/schema/properties_directory/elemental/ionization_potential.json +6 -3
- package/schema/properties_directory/jupyter_notebook_endpoint.json +28 -0
- package/schema/properties_directory/non-scalar/average_potential_profile.json +5 -2
- package/schema/properties_directory/non-scalar/band_gaps.json +4 -2
- package/schema/properties_directory/non-scalar/band_structure.json +8 -2
- package/schema/properties_directory/non-scalar/charge_density_profile.json +5 -2
- package/schema/properties_directory/non-scalar/density_of_states.json +6 -2
- package/schema/properties_directory/non-scalar/dielectric_tensor.json +4 -2
- package/schema/properties_directory/non-scalar/file_content.json +2 -1
- package/schema/properties_directory/non-scalar/final_structure.json +25 -0
- package/schema/properties_directory/non-scalar/hubbard_u.json +5 -2
- package/schema/properties_directory/non-scalar/hubbard_v.json +7 -26
- package/schema/properties_directory/non-scalar/hubbard_v_nn.json +12 -2
- package/schema/properties_directory/non-scalar/is_relaxed.json +25 -0
- package/schema/properties_directory/non-scalar/phonon_dispersions.json +5 -2
- package/schema/properties_directory/non-scalar/phonon_dos.json +5 -2
- package/schema/properties_directory/non-scalar/potential_profile.json +5 -2
- package/schema/properties_directory/non-scalar/reaction_energy_profile.json +5 -2
- package/schema/properties_directory/non-scalar/stress_tensor.json +8 -2
- package/schema/properties_directory/non-scalar/total_energy_contributions.json +25 -5
- package/schema/properties_directory/non-scalar/vibrational_spectrum.json +5 -2
- package/schema/properties_directory/non-scalar/workflow.json +21 -0
- package/schema/properties_directory/reusable/hubbard_parameters.json +36 -0
- package/schema/properties_directory/scalar/electron_affinity.json +5 -2
- package/schema/properties_directory/scalar/fermi_energy.json +5 -2
- package/schema/properties_directory/scalar/formation_energy.json +5 -2
- package/schema/properties_directory/scalar/ionization_potential.json +5 -2
- package/schema/properties_directory/scalar/pressure.json +6 -2
- package/schema/properties_directory/scalar/reaction_energy_barrier.json +5 -2
- package/schema/properties_directory/scalar/surface_energy.json +5 -2
- package/schema/properties_directory/scalar/total_energy.json +6 -2
- package/schema/properties_directory/scalar/total_force.json +6 -2
- package/schema/properties_directory/scalar/valence_band_offset.json +5 -2
- package/schema/properties_directory/scalar/zero_point_energy.json +5 -2
- package/schema/properties_directory/structural/atomic_forces.json +7 -2
- package/schema/properties_directory/structural/basis/atomic_constraints_property.json +5 -1
- package/schema/properties_directory/structural/basis/boundary_conditions.json +25 -0
- package/schema/properties_directory/structural/lattice/units.json +1 -1
- package/schema/properties_directory/structural/magnetic_moments.json +7 -2
- package/schema/properties_directory/structural/patterns/functional_group.json +4 -1
- package/schema/properties_directory/structural/patterns/ring.json +4 -1
- package/schema/properties_directory/structural/patterns/special_bond.json +4 -1
- package/schema/properties_directory/workflow/convergence/electronic.json +4 -2
- package/schema/properties_directory/workflow/convergence/ionic.json +8 -3
- package/schema/property/holder.json +180 -0
- package/schema/property/meta_holder.json +42 -0
- package/schema/property/proto_holder.json +51 -0
- package/schema/property/source.json +5 -2
- package/schema/workflow/base_flow.json +2 -16
- package/schema/workflow/unit/io/db.json +1 -2
- package/schema/workflow/unit/io/object_storage.json +1 -2
- package/schema/workflow/unit/io.json +1 -1
- package/dist/js/schema/property/base.json +0 -346
- package/dist/js/schema/property/meta.json +0 -346
- package/dist/js/schema/property/raw.json +0 -346
- package/schema/property/base.json +0 -58
- package/schema/property/meta.json +0 -11
- package/schema/property/raw.json +0 -58
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"scalar": {
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116
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"description": "array of condition values",
|
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117
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"type": "array",
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"items": {
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"type": "object",
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"properties": {
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"value": {
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"type": "string"
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}
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}
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}
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},
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"name": {
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"description": "human-readable name of the condition",
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"type": "string"
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}
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}
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}
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},
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"location": {
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "location schema",
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"type": "object",
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"required": [
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"latitude",
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"longitude"
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],
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"properties": {
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"latitude": {
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"description": "location latitude",
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"type": "number"
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},
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"longitude": {
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"description": "location longitude",
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"type": "number"
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}
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}
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},
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"timestamp": {
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"description": "epoch time.",
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"type": "number"
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},
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"note": {
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"description": "Note about experiment",
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"type": "string"
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},
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"references": {
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"type": "array",
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"description": "references to literature articles",
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"items": {
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "literature reference schema",
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"type": "object",
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"properties": {
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"type": {
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"enum": [
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"literature"
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]
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},
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"doi": {
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"type": "string",
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"description": "Digital Object Identifier of the reference."
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},
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"isbn": {
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"description": "International Standard Book Number of the reference."
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},
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"issn": {
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|
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"type": "string",
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"description": "International Standard Serial Number of the reference."
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},
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"url": {
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"type": "string",
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"description": "Internet address of the reference."
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},
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|
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"title": {
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"type": "string",
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"description": "Title of the work."
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},
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"publisher": {
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|
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"type": "string",
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|
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"description": "Publisher of the work."
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|
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},
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|
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"journal": {
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|
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"type": "string",
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|
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"description": "Journal in which the work appeared."
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|
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},
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|
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"volume": {
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|
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"type": "string",
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|
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"description": "Volume of the series in which the work appeared."
|
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|
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},
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|
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"year": {
|
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|
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"type": "string",
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|
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"description": "Year in which the reference was published."
|
|
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|
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},
|
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|
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"issue": {
|
|
211
|
-
"type": "string",
|
|
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|
-
"description": "Issue of the collection in which the work appeared."
|
|
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|
-
},
|
|
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|
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"pages": {
|
|
215
|
-
"type": "object",
|
|
216
|
-
"description": "Start and end pages of the work.",
|
|
217
|
-
"$schema": "http://json-schema.org/draft-07/schema#",
|
|
218
|
-
"title": "pages schema",
|
|
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|
-
"required": [
|
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|
-
"start"
|
|
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|
-
],
|
|
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|
-
"properties": {
|
|
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|
-
"start": {
|
|
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|
-
"type": "string"
|
|
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|
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},
|
|
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|
-
"end": {
|
|
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|
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"type": "string"
|
|
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|
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}
|
|
229
|
-
}
|
|
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|
-
},
|
|
231
|
-
"authors": {
|
|
232
|
-
"type": "array",
|
|
233
|
-
"description": "List of authors of the work.",
|
|
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|
-
"items": {
|
|
235
|
-
"$schema": "http://json-schema.org/draft-07/schema#",
|
|
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|
-
"title": "experiment author schema",
|
|
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|
-
"type": "object",
|
|
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|
-
"required": [
|
|
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|
-
"first",
|
|
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|
-
"last"
|
|
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|
-
],
|
|
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|
-
"properties": {
|
|
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|
-
"first": {
|
|
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|
-
"type": "string"
|
|
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|
-
},
|
|
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|
-
"middle": {
|
|
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|
-
"type": "string"
|
|
248
|
-
},
|
|
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|
-
"last": {
|
|
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|
-
"type": "string"
|
|
251
|
-
},
|
|
252
|
-
"affiliation": {
|
|
253
|
-
"type": "string"
|
|
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|
-
}
|
|
255
|
-
}
|
|
256
|
-
}
|
|
257
|
-
},
|
|
258
|
-
"editors": {
|
|
259
|
-
"type": "array",
|
|
260
|
-
"description": "List of editors of the work.",
|
|
261
|
-
"items": {
|
|
262
|
-
"$schema": "http://json-schema.org/draft-07/schema#",
|
|
263
|
-
"title": "experiment author schema",
|
|
264
|
-
"type": "object",
|
|
265
|
-
"required": [
|
|
266
|
-
"first",
|
|
267
|
-
"last"
|
|
268
|
-
],
|
|
269
|
-
"properties": {
|
|
270
|
-
"first": {
|
|
271
|
-
"type": "string"
|
|
272
|
-
},
|
|
273
|
-
"middle": {
|
|
274
|
-
"type": "string"
|
|
275
|
-
},
|
|
276
|
-
"last": {
|
|
277
|
-
"type": "string"
|
|
278
|
-
},
|
|
279
|
-
"affiliation": {
|
|
280
|
-
"type": "string"
|
|
281
|
-
}
|
|
282
|
-
}
|
|
283
|
-
}
|
|
284
|
-
},
|
|
285
|
-
"reference": {
|
|
286
|
-
"type": "array",
|
|
287
|
-
"description": "References cited by the work. Reference objects can nest as deeply as needed. This is useful, for example, when tracking the history of a value referenced in a scholarly article; the top level reference would contain information about where the data was accessed while the nested reference would contain information about where it was originally published.",
|
|
288
|
-
"items": {
|
|
289
|
-
"type": "object"
|
|
290
|
-
}
|
|
291
|
-
}
|
|
292
|
-
}
|
|
293
|
-
}
|
|
294
|
-
}
|
|
295
|
-
},
|
|
296
|
-
"required": [
|
|
297
|
-
"conditions",
|
|
298
|
-
"authors",
|
|
299
|
-
"title",
|
|
300
|
-
"method",
|
|
301
|
-
"timestamp"
|
|
302
|
-
]
|
|
303
|
-
}
|
|
304
|
-
]
|
|
305
|
-
}
|
|
306
|
-
}
|
|
307
|
-
},
|
|
308
|
-
"exabyteId": {
|
|
309
|
-
"description": "Id of the corresponding item in the entity bank that this property is obtained for",
|
|
310
|
-
"type": "array",
|
|
311
|
-
"items": {
|
|
312
|
-
"type": "string"
|
|
313
|
-
}
|
|
314
|
-
},
|
|
315
|
-
"precision": {
|
|
316
|
-
"type": "object"
|
|
317
|
-
},
|
|
318
|
-
"count": {
|
|
319
|
-
"description": "total number of properties among which this property is the best.",
|
|
320
|
-
"type": "number"
|
|
321
|
-
},
|
|
322
|
-
"systemTags": {
|
|
323
|
-
"description": "property system tags, marks property system characteristics, values refined or best (could be both)",
|
|
324
|
-
"type": "array",
|
|
325
|
-
"items": {
|
|
326
|
-
"type": "string",
|
|
327
|
-
"enum": [
|
|
328
|
-
"isRefined",
|
|
329
|
-
"isBest"
|
|
330
|
-
]
|
|
331
|
-
}
|
|
332
|
-
},
|
|
333
|
-
"_id": {
|
|
334
|
-
"description": "entity identity",
|
|
335
|
-
"type": "string"
|
|
336
|
-
},
|
|
337
|
-
"systemName": {
|
|
338
|
-
"type": "string"
|
|
339
|
-
},
|
|
340
|
-
"schemaVersion": {
|
|
341
|
-
"description": "entity's schema version. Used to distinct between different schemas.",
|
|
342
|
-
"type": "string",
|
|
343
|
-
"default": "2022.8.16"
|
|
344
|
-
}
|
|
345
|
-
}
|
|
346
|
-
}
|
|
@@ -1,58 +0,0 @@
|
|
|
1
|
-
{
|
|
2
|
-
"$id": "property/base",
|
|
3
|
-
"$schema": "http://json-schema.org/draft-07/schema#",
|
|
4
|
-
"title": "Schema of base material's preliminary property",
|
|
5
|
-
"type": "object",
|
|
6
|
-
"allOf": [
|
|
7
|
-
{
|
|
8
|
-
"description": "entity schema",
|
|
9
|
-
"$ref": "../in_memory_entity/base.json"
|
|
10
|
-
}
|
|
11
|
-
],
|
|
12
|
-
"properties": {
|
|
13
|
-
"slug": {
|
|
14
|
-
"description": "property slug, e.g. total_energy",
|
|
15
|
-
"type": "string"
|
|
16
|
-
},
|
|
17
|
-
"group": {
|
|
18
|
-
"description": "property group, e.g. qe:dft:gga:pbe",
|
|
19
|
-
"type": "string"
|
|
20
|
-
},
|
|
21
|
-
"data": {
|
|
22
|
-
"description": "container of the information, specific to each property",
|
|
23
|
-
"type": "object"
|
|
24
|
-
},
|
|
25
|
-
"source": {
|
|
26
|
-
"$ref": "source.json"
|
|
27
|
-
},
|
|
28
|
-
"exabyteId": {
|
|
29
|
-
"description": "Id of the corresponding item in the entity bank that this property is obtained for",
|
|
30
|
-
"type": "array",
|
|
31
|
-
"items": {
|
|
32
|
-
"type": "string"
|
|
33
|
-
}
|
|
34
|
-
},
|
|
35
|
-
"precision": {
|
|
36
|
-
"type": "object"
|
|
37
|
-
},
|
|
38
|
-
"count": {
|
|
39
|
-
"description": "total number of properties among which this property is the best.",
|
|
40
|
-
"type": "number"
|
|
41
|
-
},
|
|
42
|
-
"systemTags": {
|
|
43
|
-
"description": "property system tags, marks property system characteristics, values refined or best (could be both)",
|
|
44
|
-
"type": "array",
|
|
45
|
-
"items": {
|
|
46
|
-
"type": "string",
|
|
47
|
-
"enum": [
|
|
48
|
-
"isRefined",
|
|
49
|
-
"isBest"
|
|
50
|
-
]
|
|
51
|
-
}
|
|
52
|
-
}
|
|
53
|
-
},
|
|
54
|
-
"required": [
|
|
55
|
-
"data",
|
|
56
|
-
"source"
|
|
57
|
-
]
|
|
58
|
-
}
|
package/schema/property/raw.json
DELETED
|
@@ -1,58 +0,0 @@
|
|
|
1
|
-
{
|
|
2
|
-
"$id": "property/raw",
|
|
3
|
-
"$schema": "http://json-schema.org/draft-07/schema#",
|
|
4
|
-
"title": "Schema of material's preliminary property",
|
|
5
|
-
"type": "object",
|
|
6
|
-
"allOf": [
|
|
7
|
-
{
|
|
8
|
-
"description": "entity schema",
|
|
9
|
-
"$ref": "../in_memory_entity/base.json"
|
|
10
|
-
}
|
|
11
|
-
],
|
|
12
|
-
"properties": {
|
|
13
|
-
"slug": {
|
|
14
|
-
"description": "property slug, e.g. total_energy",
|
|
15
|
-
"type": "string"
|
|
16
|
-
},
|
|
17
|
-
"group": {
|
|
18
|
-
"description": "property group, e.g. qe:dft:gga:pbe",
|
|
19
|
-
"type": "string"
|
|
20
|
-
},
|
|
21
|
-
"data": {
|
|
22
|
-
"description": "container of the information, specific to each property",
|
|
23
|
-
"type": "object"
|
|
24
|
-
},
|
|
25
|
-
"source": {
|
|
26
|
-
"$ref": "source.json"
|
|
27
|
-
},
|
|
28
|
-
"exabyteId": {
|
|
29
|
-
"description": "Id of the corresponding item in the entity bank that this property is obtained for",
|
|
30
|
-
"type": "array",
|
|
31
|
-
"items": {
|
|
32
|
-
"type": "string"
|
|
33
|
-
}
|
|
34
|
-
},
|
|
35
|
-
"precision": {
|
|
36
|
-
"type": "object"
|
|
37
|
-
},
|
|
38
|
-
"count": {
|
|
39
|
-
"description": "total number of properties among which this property is the best.",
|
|
40
|
-
"type": "number"
|
|
41
|
-
},
|
|
42
|
-
"systemTags": {
|
|
43
|
-
"description": "property system tags, marks property system characteristics, values refined or best (could be both)",
|
|
44
|
-
"type": "array",
|
|
45
|
-
"items": {
|
|
46
|
-
"type": "string",
|
|
47
|
-
"enum": [
|
|
48
|
-
"isRefined",
|
|
49
|
-
"isBest"
|
|
50
|
-
]
|
|
51
|
-
}
|
|
52
|
-
}
|
|
53
|
-
},
|
|
54
|
-
"required": [
|
|
55
|
-
"data",
|
|
56
|
-
"source"
|
|
57
|
-
]
|
|
58
|
-
}
|