@mat3ra/esse 2026.7.21-0 → 2026.8.13-0

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Files changed (92) hide show
  1. package/.cursor/rules/resolve-generated-merge-conflicts.mdc +36 -0
  2. package/dist/js/esse/JSONSchemasInterface.d.ts +4 -0
  3. package/dist/js/esse/JSONSchemasInterface.js +10 -0
  4. package/dist/js/schema/job.json +147 -176
  5. package/dist/js/schema/material/material_properties.json +0 -4
  6. package/dist/js/schema/material.json +0 -4
  7. package/dist/js/schema/material_enhanced.json +889 -0
  8. package/dist/js/schema/material_enhanced_hashed.json +898 -0
  9. package/dist/js/schema/material_hashed.json +858 -0
  10. package/dist/js/schema/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.json +0 -36
  11. package/dist/js/schema/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.json +0 -36
  12. package/dist/js/schema/materials_category/defective_structures/three_dimensional/solid_solution/configuration.json +0 -12
  13. package/dist/js/schema/materials_category/defective_structures/two_dimensional/adatom/configuration.json +0 -16
  14. package/dist/js/schema/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.json +0 -36
  15. package/dist/js/schema/materials_category/defective_structures/two_dimensional/island/configuration.json +0 -24
  16. package/dist/js/schema/materials_category/defective_structures/two_dimensional/terrace/configuration.json +0 -24
  17. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/base_configuration.json +0 -4
  18. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.json +0 -8
  19. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.json +0 -8
  20. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.json +0 -4
  21. package/dist/js/schema/materials_category/pristine_structures/three_dimensional/ideal_crystal.json +0 -4
  22. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanoribbon.json +0 -12
  23. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanotape.json +0 -8
  24. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab.json +0 -8
  25. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.json +0 -8
  26. package/dist/js/schema/materials_category/processed_structures/two_dimensional/passivation/configuration.json +0 -8
  27. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.json +0 -4
  28. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.json +0 -4
  29. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/void_region.json +0 -4
  30. package/dist/js/schema/materials_category_components/entities/core/three_dimensional/crystal.json +0 -4
  31. package/dist/js/schema/materials_category_components/entities/core/two_dimensional/vacuum.json +0 -4
  32. package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines.json +0 -4
  33. package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines_unique_repeated.json +0 -4
  34. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/crystal_lattice_base.json +0 -4
  35. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.json +0 -4
  36. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_uniform.json +0 -4
  37. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/supercell.json +0 -4
  38. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers.json +0 -4
  39. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.json +0 -4
  40. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.json +0 -4
  41. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.json +0 -4
  42. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.json +0 -12
  43. package/dist/js/schema/materials_category_components/operations/core/modifications/perturb.json +0 -4
  44. package/dist/js/schema/properties_directory/non_scalar/workflow.json +147 -176
  45. package/dist/js/schema/properties_directory/structural/basis_constrained.json +292 -0
  46. package/dist/js/schema/property/holder.json +147 -176
  47. package/dist/js/schema/software_directory/modeling/unit/execution.json +14 -16
  48. package/dist/js/schema/software_directory/scripting/unit/execution.json +14 -16
  49. package/dist/js/schema/system/bankable.json +1 -6
  50. package/dist/js/schema/system/hashed.json +15 -0
  51. package/dist/js/schema/system/status_track.json +29 -0
  52. package/dist/js/schema/workflow/base.json +147 -176
  53. package/dist/js/schema/workflow/subworkflow/mixin.json +88 -105
  54. package/dist/js/schema/workflow/subworkflow/unit.json +88 -105
  55. package/dist/js/schema/workflow/subworkflow.json +88 -105
  56. package/dist/js/schema/workflow/unit/assertion.json +15 -18
  57. package/dist/js/schema/workflow/unit/assignment.json +14 -17
  58. package/dist/js/schema/workflow/unit/base.json +12 -17
  59. package/dist/js/schema/workflow/unit/condition.json +15 -18
  60. package/dist/js/schema/workflow/unit/error.json +15 -18
  61. package/dist/js/schema/workflow/unit/execution.json +14 -16
  62. package/dist/js/schema/workflow/unit/io.json +15 -18
  63. package/dist/js/schema/workflow/unit/map.json +14 -17
  64. package/dist/js/schema/workflow/unit/mixins/base.json +11 -20
  65. package/dist/js/schema/workflow/unit/reduce.json +15 -18
  66. package/dist/js/schema/workflow/unit/subworkflow.json +15 -18
  67. package/dist/js/schema/workflow/unit.json +59 -71
  68. package/dist/js/schema/workflow.json +147 -176
  69. package/dist/js/schemas.json +1 -1
  70. package/dist/js/types.d.ts +1592 -1246
  71. package/dist/js/utils/ajv.d.ts +6 -5
  72. package/dist/js/utils/ajv.js +22 -9
  73. package/dist/js/utils/ajvKeywords/jsonSchemaToTypescriptKeywords.d.ts +7 -0
  74. package/dist/js/utils/ajvKeywords/jsonSchemaToTypescriptKeywords.js +21 -0
  75. package/dist/js/utils/removeEmptyAndNullProperties.d.ts +9 -0
  76. package/dist/js/utils/removeEmptyAndNullProperties.js +29 -0
  77. package/package.json +1 -1
  78. package/schema/material/material_properties.json +0 -4
  79. package/schema/material_enhanced.json +18 -0
  80. package/schema/material_enhanced_hashed.json +14 -0
  81. package/schema/material_hashed.json +22 -0
  82. package/schema/properties_directory/structural/basis_constrained.json +19 -0
  83. package/schema/system/bankable.json +1 -6
  84. package/schema/system/hashed.json +15 -0
  85. package/schema/system/status.json +5 -21
  86. package/schema/system/status_track.json +29 -0
  87. package/schema/workflow/unit/base.json +1 -1
  88. package/schema/workflow/unit/mixins/base.json +11 -20
  89. package/src/js/esse/JSONSchemasInterface.ts +11 -0
  90. package/src/js/utils/ajv.ts +22 -9
  91. package/src/js/utils/ajvKeywords/jsonSchemaToTypescriptKeywords.ts +22 -0
  92. package/src/js/utils/removeEmptyAndNullProperties.ts +32 -0
package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanotape.json CHANGED
@@ -1056,10 +1056,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
@@ -1943,10 +1939,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab.json CHANGED
@@ -904,10 +904,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
@@ -1791,10 +1787,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.json CHANGED
@@ -949,10 +949,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
@@ -1836,10 +1832,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category/processed_structures/two_dimensional/passivation/configuration.json CHANGED
@@ -721,10 +721,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
@@ -1584,10 +1580,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.json CHANGED
@@ -715,10 +715,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.json CHANGED
@@ -716,10 +716,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/void_region.json CHANGED
@@ -714,10 +714,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/core/three_dimensional/crystal.json CHANGED
@@ -705,10 +705,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/core/two_dimensional/vacuum.json CHANGED
@@ -733,10 +733,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines.json CHANGED
@@ -726,10 +726,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines_unique_repeated.json CHANGED
@@ -1041,10 +1041,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/crystal_lattice_base.json CHANGED
@@ -714,10 +714,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.json CHANGED
@@ -715,10 +715,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_uniform.json CHANGED
@@ -715,10 +715,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/supercell.json CHANGED
@@ -715,10 +715,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers.json CHANGED
@@ -888,10 +888,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.json CHANGED
@@ -888,10 +888,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.json CHANGED
@@ -889,10 +889,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.json CHANGED
@@ -731,10 +731,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.json CHANGED
@@ -919,10 +919,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
@@ -1806,10 +1802,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
@@ -2731,10 +2723,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"
package/dist/js/schema/materials_category_components/operations/core/modifications/perturb.json CHANGED
@@ -711,10 +711,6 @@
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  }
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  }
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  },
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- "scaledHash": {
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- "description": "Hash string for a scaled structure with lattice vector a set to 1 (eg. for materials under pressure).",
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- "type": "string"
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- },
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  "icsdId": {
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  "description": "Corresponding ICSD id of the material",
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  "type": "integer"