@mat3ra/esse 2025.12.10-3 → 2025.12.28-0

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 (67) hide show
  1. package/.pre-commit-config.yaml +2 -1
  2. package/dist/js/schema/apse/db/third_party_sources.json +2 -1
  3. package/dist/js/schema/job.json +16 -48
  4. package/dist/js/schema/material.json +2 -1
  5. package/dist/js/schema/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.json +18 -9
  6. package/dist/js/schema/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.json +18 -9
  7. package/dist/js/schema/materials_category/defective_structures/two_dimensional/adatom/configuration.json +8 -4
  8. package/dist/js/schema/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.json +18 -9
  9. package/dist/js/schema/materials_category/defective_structures/two_dimensional/island/configuration.json +12 -6
  10. package/dist/js/schema/materials_category/defective_structures/two_dimensional/terrace/configuration.json +12 -6
  11. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/base_configuration.json +2 -1
  12. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.json +4 -2
  13. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.json +4 -2
  14. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.json +2 -1
  15. package/dist/js/schema/materials_category/pristine_structures/three_dimensional/ideal_crystal.json +2 -1
  16. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanoribbon.json +6 -3
  17. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanotape.json +4 -2
  18. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab.json +4 -2
  19. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.json +4 -2
  20. package/dist/js/schema/materials_category/processed_structures/two_dimensional/passivation/configuration.json +4 -2
  21. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.json +2 -1
  22. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.json +2 -1
  23. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/void_region.json +2 -1
  24. package/dist/js/schema/materials_category_components/entities/core/three_dimensional/crystal.json +2 -1
  25. package/dist/js/schema/materials_category_components/entities/core/two_dimensional/vacuum.json +2 -1
  26. package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines.json +2 -1
  27. package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines_unique_repeated.json +2 -1
  28. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/crystal_lattice_base.json +2 -1
  29. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.json +2 -1
  30. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_uniform.json +2 -1
  31. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/supercell.json +2 -1
  32. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers.json +2 -1
  33. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.json +2 -1
  34. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.json +2 -1
  35. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.json +2 -1
  36. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.json +6 -3
  37. package/dist/js/schema/materials_category_components/operations/core/modifications/perturb.json +2 -1
  38. package/dist/js/schema/properties_directory/non_scalar/workflow.json +16 -48
  39. package/dist/js/schema/property/holder.json +16 -48
  40. package/dist/js/schema/software_directory/modeling/unit/execution.json +1 -3
  41. package/dist/js/schema/software_directory/scripting/unit/execution.json +1 -3
  42. package/dist/js/schema/workflow/subworkflow/unit.json +7 -21
  43. package/dist/js/schema/workflow/subworkflow.json +7 -21
  44. package/dist/js/schema/workflow/unit/assertion.json +1 -3
  45. package/dist/js/schema/workflow/unit/assignment.json +1 -3
  46. package/dist/js/schema/workflow/unit/condition.json +1 -3
  47. package/dist/js/schema/workflow/unit/execution.json +1 -3
  48. package/dist/js/schema/workflow/unit/io.json +1 -3
  49. package/dist/js/schema/workflow/unit/map.json +1 -3
  50. package/dist/js/schema/workflow/unit/processing.json +1 -3
  51. package/dist/js/schema/workflow/unit/reduce.json +1 -3
  52. package/dist/js/schema/workflow/unit/subworkflow.json +1 -3
  53. package/dist/js/schema/workflow/unit.json +9 -27
  54. package/dist/js/schema/workflow.json +16 -48
  55. package/dist/js/schemas.json +1 -1
  56. package/dist/js/types.d.ts +101 -101
  57. package/package.json +1 -1
  58. package/schema/apse/db/third_party_sources.json +2 -1
  59. package/schema/workflow/unit/assertion.json +1 -3
  60. package/schema/workflow/unit/assignment.json +1 -3
  61. package/schema/workflow/unit/condition.json +1 -3
  62. package/schema/workflow/unit/execution.json +1 -3
  63. package/schema/workflow/unit/io.json +1 -3
  64. package/schema/workflow/unit/map.json +1 -3
  65. package/schema/workflow/unit/processing.json +1 -3
  66. package/schema/workflow/unit/reduce.json +1 -3
  67. package/schema/workflow/unit/subworkflow.json +1 -3
package/.pre-commit-config.yaml CHANGED
@@ -25,7 +25,8 @@ repos:
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  --use-title-as-name \
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  --class-name ESSE \
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  --disable-timestamp \
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- --use-default'
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+ --use-default \
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+ --remove-special-field-name-prefix'
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  language: system
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  pass_filenames: false
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  verbose: true
package/dist/js/schema/apse/db/third_party_sources.json CHANGED
@@ -13,7 +13,8 @@
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  "MaterialsProject",
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  "MaterialsProjectLegacy",
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  "ICSD",
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- "2dmatpedia"
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+ "2dmatpedia",
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+ "MaterialsVirtualLab"
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  ]
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  }
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  }
package/dist/js/schema/job.json CHANGED
@@ -55,9 +55,7 @@
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "io"
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- ],
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+ "const": "io",
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  "description": "type of the unit",
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  "type": "string"
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  },
@@ -425,9 +423,7 @@
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "reduce"
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- ],
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+ "const": "reduce",
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  "description": "type of the unit",
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  "type": "string"
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  },
@@ -683,9 +679,7 @@
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "condition"
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- ],
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+ "const": "condition",
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  "description": "type of the unit",
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  "type": "string"
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  },
@@ -953,9 +947,7 @@
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "assertion"
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- ],
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+ "const": "assertion",
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  "description": "type of the unit",
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  "type": "string"
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  },
@@ -1188,9 +1180,7 @@
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "execution"
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- ],
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+ "const": "execution",
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  "description": "type of the unit",
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  "type": "string"
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  },
@@ -1835,9 +1825,7 @@
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "assignment"
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- ],
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+ "const": "assignment",
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  "description": "type of the unit",
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  "type": "string"
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  },
@@ -2107,9 +2095,7 @@
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "processing"
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- ],
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+ "const": "processing",
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  "description": "type of the unit",
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  "type": "string"
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  },
@@ -2669,9 +2655,7 @@
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "io"
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- ],
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+ "const": "io",
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  "description": "type of the unit",
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  "type": "string"
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  },
@@ -3039,9 +3023,7 @@
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "reduce"
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- ],
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+ "const": "reduce",
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  "description": "type of the unit",
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  "type": "string"
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  },
@@ -3297,9 +3279,7 @@
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "condition"
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- ],
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+ "const": "condition",
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  "description": "type of the unit",
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  "type": "string"
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  },
@@ -3567,9 +3547,7 @@
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "assertion"
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- ],
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+ "const": "assertion",
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  "description": "type of the unit",
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  "type": "string"
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  },
@@ -3802,9 +3780,7 @@
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "execution"
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- ],
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+ "const": "execution",
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  "description": "type of the unit",
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  "type": "string"
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  },
@@ -4449,9 +4425,7 @@
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "assignment"
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- ],
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+ "const": "assignment",
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  "description": "type of the unit",
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  "type": "string"
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  },
@@ -4721,9 +4695,7 @@
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "processing"
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- ],
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+ "const": "processing",
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  "description": "type of the unit",
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  "type": "string"
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  },
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "map"
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- ],
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+ "const": "map",
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  "description": "type of the unit",
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  "type": "string"
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  },
@@ -5229,9 +5199,7 @@
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  "additionalProperties": true,
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  "properties": {
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  "type": {
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- "enum": [
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- "subworkflow"
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- ],
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+ "const": "subworkflow",
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  "description": "type of the unit",
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  "type": "string"
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  },
package/dist/js/schema/material.json CHANGED
@@ -626,7 +626,8 @@
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  "MaterialsProject",
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  "MaterialsProjectLegacy",
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  "ICSD",
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- "2dmatpedia"
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+ "2dmatpedia",
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+ "MaterialsVirtualLab"
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  ]
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  },
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  "origin": {
package/dist/js/schema/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.json CHANGED
@@ -844,7 +844,8 @@
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  "MaterialsProject",
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  "MaterialsProjectLegacy",
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  "ICSD",
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- "2dmatpedia"
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+ "2dmatpedia",
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+ "MaterialsVirtualLab"
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  "origin": {
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  "MaterialsProject",
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  "MaterialsProjectLegacy",
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  "ICSD",
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- "2dmatpedia"
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+ "2dmatpedia",
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+ "MaterialsVirtualLab"
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  "origin": {
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  "MaterialsProject",
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  "MaterialsProjectLegacy",
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  "ICSD",
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- "2dmatpedia"
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+ "2dmatpedia",
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+ "MaterialsVirtualLab"
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  "origin": {
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  "MaterialsProjectLegacy",
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  "ICSD",
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- "2dmatpedia"
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  "origin": {
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  "MaterialsProjectLegacy",
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  "ICSD",
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+ "2dmatpedia",
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  "origin": {
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  "MaterialsProjectLegacy",
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  "ICSD",
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+ "MaterialsVirtualLab"
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  },
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  "origin": {
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  "ICSD",
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  ]
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  "origin": {
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  ]
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  },
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  "origin": {
package/dist/js/schema/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.json CHANGED
@@ -844,7 +844,8 @@
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  "MaterialsProject",
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  "MaterialsProjectLegacy",
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  "ICSD",
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- "2dmatpedia"
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+ "MaterialsVirtualLab"
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  "origin": {
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  "MaterialsProject",
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  "MaterialsProjectLegacy",
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  "ICSD",
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  "origin": {
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  "MaterialsProjectLegacy",
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  "origin": {
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  "ICSD",
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  "MaterialsProject",
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  "origin": {
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  },
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  "origin": {
package/dist/js/schema/materials_category/defective_structures/two_dimensional/adatom/configuration.json CHANGED
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  "MaterialsProject",
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  "MaterialsProjectLegacy",
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  "ICSD",
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  ]
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  "origin": {
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  ]
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  "origin": {
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  "MaterialsProjectLegacy",
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  "ICSD",
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  },
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  "origin": {
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  ]
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  },
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  "origin": {
package/dist/js/schema/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.json CHANGED
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package/dist/js/schema/materials_category/defective_structures/two_dimensional/island/configuration.json CHANGED
@@ -841,7 +841,8 @@
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package/dist/js/schema/materials_category/defective_structures/two_dimensional/terrace/configuration.json CHANGED
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