@mat3ra/esse 2025.10.8-0 → 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 (49) 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/schema/apse/db/materials_project/2025.9.25/summary.json +2803 -0
  4. package/dist/js/schema/apse/db/materials_project/legacy/material.json +297 -0
  5. package/dist/js/schema/apse/db/third_party_sources.json +20 -0
  6. package/dist/js/schema/material.json +9 -3
  7. package/dist/js/schema/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.json +81 -27
  8. package/dist/js/schema/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.json +81 -27
  9. package/dist/js/schema/materials_category/defective_structures/two_dimensional/adatom/configuration.json +36 -12
  10. package/dist/js/schema/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.json +81 -27
  11. package/dist/js/schema/materials_category/defective_structures/two_dimensional/island/configuration.json +54 -18
  12. package/dist/js/schema/materials_category/defective_structures/two_dimensional/terrace/configuration.json +54 -18
  13. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/base_configuration.json +9 -3
  14. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.json +18 -6
  15. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.json +18 -6
  16. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.json +9 -3
  17. package/dist/js/schema/materials_category/pristine_structures/three_dimensional/ideal_crystal.json +9 -3
  18. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanoribbon.json +27 -9
  19. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanotape.json +18 -6
  20. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab.json +18 -6
  21. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.json +18 -6
  22. package/dist/js/schema/materials_category/processed_structures/two_dimensional/passivation/configuration.json +18 -6
  23. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.json +9 -3
  24. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.json +9 -3
  25. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/void_region.json +9 -3
  26. package/dist/js/schema/materials_category_components/entities/core/three_dimensional/crystal.json +9 -3
  27. package/dist/js/schema/materials_category_components/entities/core/two_dimensional/vacuum.json +9 -3
  28. package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines.json +9 -3
  29. package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines_unique_repeated.json +9 -3
  30. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/crystal_lattice_base.json +9 -3
  31. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.json +9 -3
  32. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_uniform.json +9 -3
  33. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/supercell.json +9 -3
  34. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers.json +9 -3
  35. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.json +9 -3
  36. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.json +9 -3
  37. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.json +9 -3
  38. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.json +27 -9
  39. package/dist/js/schema/materials_category_components/operations/core/modifications/perturb.json +9 -3
  40. package/dist/js/schemas.json +1 -1
  41. package/dist/js/types.d.ts +1372 -100
  42. package/dist/js/types.js +1 -1
  43. package/example/apse/db/materials_project/2025.9.25/summary.json +1172 -0
  44. package/example/apse/db/materials_project/legacy/material.json +234 -0
  45. package/package.json +1 -1
  46. package/schema/apse/db/materials_project/2025.9.25/summary.json +1265 -0
  47. package/schema/apse/db/materials_project/legacy/material.json +297 -0
  48. package/schema/apse/db/third_party_sources.json +20 -0
  49. package/schema/material.json +8 -2
package/dist/js/schema/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.json CHANGED
@@ -822,8 +822,8 @@
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  "type": "object",
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  "required": [
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  "id",
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- "source",
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- "origin"
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+ "origin",
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+ "source"
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  ],
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  "properties": {
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  "id": {
@@ -839,7 +839,13 @@
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  },
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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- "type": "string"
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+ "type": "string",
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+ "enum": [
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+ "MaterialsProject",
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+ "MaterialsProjectLegacy",
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+ "ICSD",
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+ "2dmatpedia"
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
@@ -1613,8 +1619,8 @@
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  "type": "object",
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+ "origin",
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  "properties": {
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  "id": {
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  },
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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+ "type": "string",
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+ "enum": [
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+ "MaterialsProject",
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+ "MaterialsProjectLegacy",
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+ "ICSD",
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+ "2dmatpedia"
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
@@ -2655,8 +2667,8 @@
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  "type": "object",
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  "required": [
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  "id",
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+ "origin",
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  ],
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  "properties": {
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  "id": {
@@ -2672,7 +2684,13 @@
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  },
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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- "type": "string"
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+ "type": "string",
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+ "enum": [
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+ "MaterialsProject",
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+ "MaterialsProjectLegacy",
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+ "ICSD",
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+ "2dmatpedia"
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
@@ -3446,8 +3464,8 @@
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  "type": "object",
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  "required": [
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  "id",
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- "source",
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+ "origin",
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  ],
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  "properties": {
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  "id": {
@@ -3463,7 +3481,13 @@
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  },
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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+ "type": "string",
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+ "enum": [
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+ "MaterialsProject",
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+ "MaterialsProjectLegacy",
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+ "ICSD",
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+ "2dmatpedia"
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
@@ -4447,8 +4471,8 @@
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  "required": [
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  "id",
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  "properties": {
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  "id": {
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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+ "type": "string",
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+ "enum": [
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+ "MaterialsProject",
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+ "ICSD",
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
@@ -5238,8 +5268,8 @@
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  "id",
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  ],
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  "properties": {
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  "id": {
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  },
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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+ "enum": [
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
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  "properties": {
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  "id": {
@@ -6297,7 +6333,13 @@
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  },
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
@@ -7071,8 +7113,8 @@
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  "properties": {
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  "id": {
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
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  "properties": {
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
package/dist/js/schema/materials_category/defective_structures/two_dimensional/adatom/configuration.json CHANGED
@@ -819,8 +819,8 @@
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  "type": "object",
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  "required": [
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  "properties": {
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  },
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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+ "enum": [
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+ "MaterialsProject",
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+ "MaterialsProjectLegacy",
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+ "ICSD",
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+ "2dmatpedia"
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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+ "enum": [
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+ "MaterialsProject",
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+ "ICSD",
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+ "2dmatpedia"
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
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  "properties": {
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  "id": {
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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+ "enum": [
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+ "MaterialsProject",
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+ "2dmatpedia"
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
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  "properties": {
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  "source": {
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
package/dist/js/schema/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.json CHANGED
@@ -834,8 +834,8 @@
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  "type": "object",
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  "required": [
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  "properties": {
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
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  "properties": {
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  "source": {
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  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
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+ "enum": [
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+ "ICSD",
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
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  "properties": {
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  "id": {
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  "source": {
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+ "MaterialsProject",
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+ ]
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  },
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  "origin": {
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  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
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  ],
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  "properties": {
3465
3483
  "id": {
@@ -3475,7 +3493,13 @@
3475
3493
  },
3476
3494
  "source": {
3477
3495
  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
3478
- "type": "string"
3496
+ "type": "string",
3497
+ "enum": [
3498
+ "MaterialsProject",
3499
+ "MaterialsProjectLegacy",
3500
+ "ICSD",
3501
+ "2dmatpedia"
3502
+ ]
3479
3503
  },
3480
3504
  "origin": {
3481
3505
  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
@@ -4459,8 +4483,8 @@
4459
4483
  "type": "object",
4460
4484
  "required": [
4461
4485
  "id",
4462
- "source",
4463
- "origin"
4486
+ "origin",
4487
+ "source"
4464
4488
  ],
4465
4489
  "properties": {
4466
4490
  "id": {
@@ -4476,7 +4500,13 @@
4476
4500
  },
4477
4501
  "source": {
4478
4502
  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
4479
- "type": "string"
4503
+ "type": "string",
4504
+ "enum": [
4505
+ "MaterialsProject",
4506
+ "MaterialsProjectLegacy",
4507
+ "ICSD",
4508
+ "2dmatpedia"
4509
+ ]
4480
4510
  },
4481
4511
  "origin": {
4482
4512
  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
@@ -5250,8 +5280,8 @@
5250
5280
  "type": "object",
5251
5281
  "required": [
5252
5282
  "id",
5253
- "source",
5254
- "origin"
5283
+ "origin",
5284
+ "source"
5255
5285
  ],
5256
5286
  "properties": {
5257
5287
  "id": {
@@ -5267,7 +5297,13 @@
5267
5297
  },
5268
5298
  "source": {
5269
5299
  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
5270
- "type": "string"
5300
+ "type": "string",
5301
+ "enum": [
5302
+ "MaterialsProject",
5303
+ "MaterialsProjectLegacy",
5304
+ "ICSD",
5305
+ "2dmatpedia"
5306
+ ]
5271
5307
  },
5272
5308
  "origin": {
5273
5309
  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
@@ -6292,8 +6328,8 @@
6292
6328
  "type": "object",
6293
6329
  "required": [
6294
6330
  "id",
6295
- "source",
6296
- "origin"
6331
+ "origin",
6332
+ "source"
6297
6333
  ],
6298
6334
  "properties": {
6299
6335
  "id": {
@@ -6309,7 +6345,13 @@
6309
6345
  },
6310
6346
  "source": {
6311
6347
  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
6312
- "type": "string"
6348
+ "type": "string",
6349
+ "enum": [
6350
+ "MaterialsProject",
6351
+ "MaterialsProjectLegacy",
6352
+ "ICSD",
6353
+ "2dmatpedia"
6354
+ ]
6313
6355
  },
6314
6356
  "origin": {
6315
6357
  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
@@ -7083,8 +7125,8 @@
7083
7125
  "type": "object",
7084
7126
  "required": [
7085
7127
  "id",
7086
- "source",
7087
- "origin"
7128
+ "origin",
7129
+ "source"
7088
7130
  ],
7089
7131
  "properties": {
7090
7132
  "id": {
@@ -7100,7 +7142,13 @@
7100
7142
  },
7101
7143
  "source": {
7102
7144
  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
7103
- "type": "string"
7145
+ "type": "string",
7146
+ "enum": [
7147
+ "MaterialsProject",
7148
+ "MaterialsProjectLegacy",
7149
+ "ICSD",
7150
+ "2dmatpedia"
7151
+ ]
7104
7152
  },
7105
7153
  "origin": {
7106
7154
  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",
@@ -7911,8 +7959,8 @@
7911
7959
  "type": "object",
7912
7960
  "required": [
7913
7961
  "id",
7914
- "source",
7915
- "origin"
7962
+ "origin",
7963
+ "source"
7916
7964
  ],
7917
7965
  "properties": {
7918
7966
  "id": {
@@ -7928,7 +7976,13 @@
7928
7976
  },
7929
7977
  "source": {
7930
7978
  "description": "Third party source name, e.g. materials project, 2dmatpedia, ICSD, etc.",
7931
- "type": "string"
7979
+ "type": "string",
7980
+ "enum": [
7981
+ "MaterialsProject",
7982
+ "MaterialsProjectLegacy",
7983
+ "ICSD",
7984
+ "2dmatpedia"
7985
+ ]
7932
7986
  },
7933
7987
  "origin": {
7934
7988
  "description": "Deprecated. To be removed. A flag that is true when material is initially imported from a third party * (as opposed to being independently designed from scratch).",