@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.
Files changed (205) hide show
  1. package/dist/js/example/apse/db/materials_project/2025.9.25/summary.json +1172 -0
  2. package/dist/js/example/apse/db/materials_project/legacy/material.json +234 -0
  3. package/dist/js/example/element.json +2 -1
  4. package/dist/js/example/properties_directory/elemental/ionization_potential.json +2 -1
  5. package/dist/js/example/properties_directory/workflow/convergence/electronic.json +1 -0
  6. package/dist/js/example/properties_directory/workflow/convergence/ionic.json +1 -0
  7. package/dist/js/example/property/{base.json → holder.json} +10 -8
  8. package/dist/js/example/workflow/unit/io/object_storage.json +2 -1
  9. package/dist/js/schema/apse/db/materials_project/2025.9.25/summary.json +2803 -0
  10. package/dist/js/schema/apse/db/materials_project/legacy/material.json +297 -0
  11. package/dist/js/schema/apse/db/third_party_sources.json +20 -0
  12. package/dist/js/schema/core/abstract/2d_data.json +15 -5
  13. package/dist/js/schema/core/abstract/2d_plot.json +15 -10
  14. package/dist/js/schema/core/primitive/1d_data_series.json +1 -4
  15. package/dist/js/schema/core/{reusable/axis_enum.json → primitive/axis_3d_names_enum.json} +1 -1
  16. package/dist/js/schema/core/reference/exabyte.json +4 -4
  17. package/dist/js/schema/core/reusable/{coordinate_conditions.json → coordinate_conditions/index.json} +1 -1
  18. package/dist/js/schema/core/reusable/energy.json +1 -1
  19. package/dist/js/schema/core/{abstract → reusable}/kpoint.json +1 -1
  20. package/dist/js/schema/definitions/{materials.json → material.json} +1 -1
  21. package/dist/js/schema/element.json +5 -2
  22. package/dist/js/schema/job.json +168 -187
  23. package/dist/js/schema/material.json +9 -3
  24. package/dist/js/schema/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.json +81 -27
  25. package/dist/js/schema/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.json +81 -27
  26. package/dist/js/schema/materials_category/defective_structures/two_dimensional/adatom/configuration.json +36 -12
  27. package/dist/js/schema/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.json +81 -27
  28. package/dist/js/schema/materials_category/defective_structures/two_dimensional/island/configuration.json +54 -18
  29. package/dist/js/schema/materials_category/defective_structures/two_dimensional/terrace/configuration.json +54 -18
  30. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/base_configuration.json +9 -3
  31. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.json +18 -6
  32. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.json +18 -6
  33. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.json +9 -3
  34. package/dist/js/schema/materials_category/pristine_structures/three_dimensional/ideal_crystal.json +9 -3
  35. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanoribbon.json +27 -9
  36. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanotape.json +18 -6
  37. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab.json +18 -6
  38. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.json +18 -6
  39. package/dist/js/schema/materials_category/processed_structures/two_dimensional/passivation/configuration.json +18 -6
  40. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.json +9 -3
  41. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.json +9 -3
  42. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/void_region.json +9 -3
  43. package/dist/js/schema/materials_category_components/entities/core/three_dimensional/crystal.json +9 -3
  44. package/dist/js/schema/materials_category_components/entities/core/two_dimensional/vacuum.json +9 -3
  45. package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines.json +9 -3
  46. package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines_unique_repeated.json +9 -3
  47. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/crystal_lattice_base.json +9 -3
  48. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.json +9 -3
  49. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_uniform.json +9 -3
  50. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/supercell.json +9 -3
  51. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers.json +9 -3
  52. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.json +9 -3
  53. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.json +9 -3
  54. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.json +9 -3
  55. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.json +27 -9
  56. package/dist/js/schema/materials_category_components/operations/core/modifications/perturb.json +9 -3
  57. package/dist/js/schema/methods_directory/physical/psp/file.json +3 -1
  58. package/dist/js/schema/methods_directory/physical/psp/file_data_item.json +3 -1
  59. package/dist/js/schema/methods_directory/physical/psp.json +3 -1
  60. package/dist/js/schema/properties_directory/elemental/atomic_radius.json +1 -0
  61. package/dist/js/schema/properties_directory/elemental/electronegativity.json +1 -0
  62. package/dist/js/schema/properties_directory/elemental/ionization_potential.json +3 -2
  63. package/dist/js/schema/properties_directory/jupyter_notebook_endpoint.json +28 -0
  64. package/dist/js/schema/properties_directory/non_scalar/average_potential_profile.json +17 -11
  65. package/dist/js/schema/properties_directory/non_scalar/band_gaps.json +3 -2
  66. package/dist/js/schema/properties_directory/non_scalar/band_structure.json +18 -11
  67. package/dist/js/schema/properties_directory/non_scalar/charge_density_profile.json +17 -11
  68. package/dist/js/schema/properties_directory/non_scalar/density_of_states.json +18 -8
  69. package/dist/js/schema/properties_directory/non_scalar/dielectric_tensor.json +3 -2
  70. package/dist/js/schema/properties_directory/non_scalar/file_content.json +2 -1
  71. package/dist/js/schema/properties_directory/non_scalar/final_structure.json +25 -0
  72. package/dist/js/schema/properties_directory/non_scalar/hubbard_u.json +4 -2
  73. package/dist/js/schema/properties_directory/non_scalar/hubbard_v.json +5 -4
  74. package/dist/js/schema/properties_directory/non_scalar/hubbard_v_nn.json +4 -3
  75. package/dist/js/schema/properties_directory/non_scalar/is_relaxed.json +25 -0
  76. package/dist/js/schema/properties_directory/non_scalar/phonon_dispersions.json +17 -11
  77. package/dist/js/schema/properties_directory/non_scalar/phonon_dos.json +17 -11
  78. package/dist/js/schema/properties_directory/non_scalar/potential_profile.json +17 -11
  79. package/dist/js/schema/properties_directory/non_scalar/reaction_energy_profile.json +17 -11
  80. package/dist/js/schema/properties_directory/non_scalar/stress_tensor.json +6 -1
  81. package/dist/js/schema/properties_directory/non_scalar/total_energy_contributions.json +26 -4
  82. package/dist/js/schema/properties_directory/non_scalar/vibrational_spectrum.json +17 -11
  83. package/dist/js/schema/properties_directory/non_scalar/workflow.json +5503 -0
  84. package/dist/js/schema/properties_directory/reusable/hubbard_parameters.json +70 -0
  85. package/dist/js/schema/properties_directory/scalar/electron_affinity.json +2 -2
  86. package/dist/js/schema/properties_directory/scalar/fermi_energy.json +2 -2
  87. package/dist/js/schema/properties_directory/scalar/formation_energy.json +2 -2
  88. package/dist/js/schema/properties_directory/scalar/ionization_potential.json +2 -2
  89. package/dist/js/schema/properties_directory/scalar/pressure.json +3 -1
  90. package/dist/js/schema/properties_directory/scalar/reaction_energy_barrier.json +2 -2
  91. package/dist/js/schema/properties_directory/scalar/surface_energy.json +2 -2
  92. package/dist/js/schema/properties_directory/scalar/total_energy.json +2 -2
  93. package/dist/js/schema/properties_directory/scalar/total_force.json +3 -1
  94. package/dist/js/schema/properties_directory/scalar/valence_band_offset.json +2 -2
  95. package/dist/js/schema/properties_directory/scalar/zero_point_energy.json +2 -2
  96. package/dist/js/schema/properties_directory/structural/atomic_forces.json +6 -1
  97. package/dist/js/schema/properties_directory/structural/basis/atomic_constraints_property.json +4 -0
  98. package/dist/js/schema/properties_directory/structural/basis/boundary_conditions.json +33 -0
  99. package/dist/js/schema/properties_directory/structural/lattice/{lattice_vectors.json → units.json} +1 -1
  100. package/dist/js/schema/properties_directory/structural/magnetic_moments.json +6 -1
  101. package/dist/js/schema/properties_directory/structural/molecular_pattern.json +12 -3
  102. package/dist/js/schema/properties_directory/structural/patterns/functional_group.json +3 -0
  103. package/dist/js/schema/properties_directory/structural/patterns/ring.json +3 -0
  104. package/dist/js/schema/properties_directory/structural/patterns/special_bond.json +3 -0
  105. package/dist/js/schema/properties_directory/workflow/convergence/electronic.json +4 -2
  106. package/dist/js/schema/properties_directory/workflow/convergence/ionic.json +7 -2
  107. package/dist/js/schema/property/holder.json +7886 -0
  108. package/dist/js/schema/property/meta_holder.json +244 -0
  109. package/dist/js/schema/property/proto_holder.json +143 -0
  110. package/dist/js/schema/property/source.json +9 -6
  111. package/dist/js/schema/workflow/base_flow.json +162 -177
  112. package/dist/js/schema/workflow/subworkflow/unit.json +3 -5
  113. package/dist/js/schema/workflow/subworkflow.json +165 -182
  114. package/dist/js/schema/workflow/unit/io/db.json +1 -2
  115. package/dist/js/schema/workflow/unit/io/object_storage.json +1 -2
  116. package/dist/js/schema/workflow/unit/io.json +3 -5
  117. package/dist/js/schema/workflow/unit.json +3 -5
  118. package/dist/js/schema/workflow.json +168 -187
  119. package/dist/js/schemas.json +1 -1
  120. package/dist/js/types.d.ts +8514 -1874
  121. package/dist/js/types.js +1 -1
  122. package/example/apse/db/materials_project/2025.9.25/summary.json +1172 -0
  123. package/example/apse/db/materials_project/legacy/material.json +234 -0
  124. package/example/properties_directory/elemental/ionization_potential.json +2 -1
  125. package/example/properties_directory/non-scalar/hubbard_v.json +3 -3
  126. package/example/properties_directory/non-scalar/hubbard_v_nn.json +3 -3
  127. package/example/properties_directory/workflow/convergence/electronic.json +1 -0
  128. package/example/properties_directory/workflow/convergence/ionic.json +1 -0
  129. package/example/property/{base.json → holder.json} +11 -2
  130. package/example/workflow/unit/io/object_storage.json +2 -1
  131. package/package.json +3 -3
  132. package/schema/apse/db/materials_project/2025.9.25/summary.json +1265 -0
  133. package/schema/apse/db/materials_project/legacy/material.json +297 -0
  134. package/schema/apse/db/third_party_sources.json +20 -0
  135. package/schema/core/abstract/2d_data.json +14 -1
  136. package/schema/core/abstract/2d_plot.json +0 -5
  137. package/schema/core/primitive/1d_data_series.json +1 -4
  138. package/schema/core/primitive/axis_3d_names_enum.json +1 -1
  139. package/schema/core/reference/exabyte.json +5 -5
  140. package/schema/core/reusable/coordinate_conditions/index.json +2 -2
  141. package/schema/core/reusable/energy.json +1 -1
  142. package/schema/core/reusable/kpoint.json +1 -1
  143. package/schema/definitions/material.json +1 -1
  144. package/schema/material.json +8 -2
  145. package/schema/methods_directory/physical/psp/file_data_item.json +3 -1
  146. package/schema/properties_directory/elemental/atomic_radius.json +4 -1
  147. package/schema/properties_directory/elemental/electronegativity.json +4 -1
  148. package/schema/properties_directory/elemental/ionization_potential.json +6 -3
  149. package/schema/properties_directory/jupyter_notebook_endpoint.json +28 -0
  150. package/schema/properties_directory/non-scalar/average_potential_profile.json +5 -2
  151. package/schema/properties_directory/non-scalar/band_gaps.json +4 -2
  152. package/schema/properties_directory/non-scalar/band_structure.json +8 -2
  153. package/schema/properties_directory/non-scalar/charge_density_profile.json +5 -2
  154. package/schema/properties_directory/non-scalar/density_of_states.json +6 -2
  155. package/schema/properties_directory/non-scalar/dielectric_tensor.json +4 -2
  156. package/schema/properties_directory/non-scalar/file_content.json +2 -1
  157. package/schema/properties_directory/non-scalar/final_structure.json +25 -0
  158. package/schema/properties_directory/non-scalar/hubbard_u.json +5 -2
  159. package/schema/properties_directory/non-scalar/hubbard_v.json +7 -26
  160. package/schema/properties_directory/non-scalar/hubbard_v_nn.json +12 -2
  161. package/schema/properties_directory/non-scalar/is_relaxed.json +25 -0
  162. package/schema/properties_directory/non-scalar/phonon_dispersions.json +5 -2
  163. package/schema/properties_directory/non-scalar/phonon_dos.json +5 -2
  164. package/schema/properties_directory/non-scalar/potential_profile.json +5 -2
  165. package/schema/properties_directory/non-scalar/reaction_energy_profile.json +5 -2
  166. package/schema/properties_directory/non-scalar/stress_tensor.json +8 -2
  167. package/schema/properties_directory/non-scalar/total_energy_contributions.json +25 -5
  168. package/schema/properties_directory/non-scalar/vibrational_spectrum.json +5 -2
  169. package/schema/properties_directory/non-scalar/workflow.json +21 -0
  170. package/schema/properties_directory/reusable/hubbard_parameters.json +36 -0
  171. package/schema/properties_directory/scalar/electron_affinity.json +5 -2
  172. package/schema/properties_directory/scalar/fermi_energy.json +5 -2
  173. package/schema/properties_directory/scalar/formation_energy.json +5 -2
  174. package/schema/properties_directory/scalar/ionization_potential.json +5 -2
  175. package/schema/properties_directory/scalar/pressure.json +6 -2
  176. package/schema/properties_directory/scalar/reaction_energy_barrier.json +5 -2
  177. package/schema/properties_directory/scalar/surface_energy.json +5 -2
  178. package/schema/properties_directory/scalar/total_energy.json +6 -2
  179. package/schema/properties_directory/scalar/total_force.json +6 -2
  180. package/schema/properties_directory/scalar/valence_band_offset.json +5 -2
  181. package/schema/properties_directory/scalar/zero_point_energy.json +5 -2
  182. package/schema/properties_directory/structural/atomic_forces.json +7 -2
  183. package/schema/properties_directory/structural/basis/atomic_constraints_property.json +5 -1
  184. package/schema/properties_directory/structural/basis/boundary_conditions.json +25 -0
  185. package/schema/properties_directory/structural/lattice/units.json +1 -1
  186. package/schema/properties_directory/structural/magnetic_moments.json +7 -2
  187. package/schema/properties_directory/structural/patterns/functional_group.json +4 -1
  188. package/schema/properties_directory/structural/patterns/ring.json +4 -1
  189. package/schema/properties_directory/structural/patterns/special_bond.json +4 -1
  190. package/schema/properties_directory/workflow/convergence/electronic.json +4 -2
  191. package/schema/properties_directory/workflow/convergence/ionic.json +8 -3
  192. package/schema/property/holder.json +180 -0
  193. package/schema/property/meta_holder.json +42 -0
  194. package/schema/property/proto_holder.json +51 -0
  195. package/schema/property/source.json +5 -2
  196. package/schema/workflow/base_flow.json +2 -16
  197. package/schema/workflow/unit/io/db.json +1 -2
  198. package/schema/workflow/unit/io/object_storage.json +1 -2
  199. package/schema/workflow/unit/io.json +1 -1
  200. package/dist/js/schema/property/base.json +0 -346
  201. package/dist/js/schema/property/meta.json +0 -346
  202. package/dist/js/schema/property/raw.json +0 -346
  203. package/schema/property/base.json +0 -58
  204. package/schema/property/meta.json +0 -11
  205. package/schema/property/raw.json +0 -58
@@ -1,346 +0,0 @@
1
- {
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- "$id": "property/raw",
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "Schema of material's preliminary property",
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- "type": "object",
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- "required": [
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- "data",
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- "source"
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- ],
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- "properties": {
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- "slug": {
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- "description": "property slug, e.g. total_energy",
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- "type": "string"
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- },
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- "group": {
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- "description": "property group, e.g. qe:dft:gga:pbe",
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- "type": "string"
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- },
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- "data": {
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- "description": "container of the information, specific to each property",
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- "type": "object"
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- },
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- "source": {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "The source of a property. This could be an article, a simulation on Exabyte, an external simulation, etc.",
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- "type": "object",
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- "properties": {
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- "type": {
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- "description": "Type of the material property's source.",
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- "type": "string"
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- },
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- "url": {
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- "description": "Internet address of the reference.",
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- "type": "string"
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- },
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- "info": {
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- "oneOf": [
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- {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "type": "object",
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- "properties": {
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- "materialId": {
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- "description": "Material's identity. Used for protoProperties.",
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- "type": "string"
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- },
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- "jobId": {
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- "description": "Job's identity",
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- "type": "string"
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- },
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- "unitId": {
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- "description": "Id of the unit that extracted the result",
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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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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "info for characteristic obtained by experiment",
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- "type": "object",
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- "properties": {
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- "type": {
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- "enum": [
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- "experiment"
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- ]
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- },
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- "authors": {
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- "description": "experiment authors",
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- "type": "array",
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- "items": {
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- "$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"
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- },
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- "last": {
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- "type": "string"
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- },
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- "affiliation": {
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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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- "title": {
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- "type": "string",
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- "description": "experiment title"
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- },
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- "method": {
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- "type": "string",
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- "description": "method used in experiment"
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- },
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- "conditions": {
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- "type": "array",
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- "items": {
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "condition schema",
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- "type": "object",
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- "required": [
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- "name"
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- ],
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- "properties": {
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- "units": {
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- "description": "condition unit",
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- "type": "string"
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- },
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- "scalar": {
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- "description": "array of condition values",
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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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- "type": "string",
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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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- "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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- "title": {
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- "type": "string",
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- "description": "Title of the work."
193
- },
194
- "publisher": {
195
- "type": "string",
196
- "description": "Publisher of the work."
197
- },
198
- "journal": {
199
- "type": "string",
200
- "description": "Journal in which the work appeared."
201
- },
202
- "volume": {
203
- "type": "string",
204
- "description": "Volume of the series in which the work appeared."
205
- },
206
- "year": {
207
- "type": "string",
208
- "description": "Year in which the reference was published."
209
- },
210
- "issue": {
211
- "type": "string",
212
- "description": "Issue of the collection in which the work appeared."
213
- },
214
- "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",
219
- "required": [
220
- "start"
221
- ],
222
- "properties": {
223
- "start": {
224
- "type": "string"
225
- },
226
- "end": {
227
- "type": "string"
228
- }
229
- }
230
- },
231
- "authors": {
232
- "type": "array",
233
- "description": "List of authors of the work.",
234
- "items": {
235
- "$schema": "http://json-schema.org/draft-07/schema#",
236
- "title": "experiment author schema",
237
- "type": "object",
238
- "required": [
239
- "first",
240
- "last"
241
- ],
242
- "properties": {
243
- "first": {
244
- "type": "string"
245
- },
246
- "middle": {
247
- "type": "string"
248
- },
249
- "last": {
250
- "type": "string"
251
- },
252
- "affiliation": {
253
- "type": "string"
254
- }
255
- }
256
- }
257
- },
258
- "editors": {
259
- "type": "array",
260
- "description": "List of editors of the work.",
261
- "items": {
262
- "$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
- }
@@ -1,11 +0,0 @@
1
- {
2
- "$id": "property/meta",
3
- "$schema": "http://json-schema.org/draft-07/schema#",
4
- "title": "Schema of material's meta properties",
5
- "type": "object",
6
- "allOf": [
7
- {
8
- "$ref": "raw.json"
9
- }
10
- ]
11
- }
@@ -1,58 +0,0 @@
1
- {
2
- "$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
- }