@mat3ra/esse 2025.5.16-0 → 2025.5.17-0

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Files changed (52) hide show
  1. package/dist/js/example/materials_category/defects/by_host/two_dimensional/adatom/configuration.json +138 -0
  2. package/dist/js/example/materials_category/defects/by_host/two_dimensional/configuration.json +135 -0
  3. package/dist/js/example/materials_category/defects/configuration.json +130 -0
  4. package/dist/js/example/materials_category/defects/zero_dimensional/point/configuration.json +138 -0
  5. package/dist/js/schema/definitions/chemical_elements.json +267 -0
  6. package/dist/js/schema/definitions/materials.json +22 -0
  7. package/dist/js/schema/element.json +120 -2
  8. package/dist/js/schema/material/builders/single_material/two_dimensional/slab/selector_parameters.json +130 -2
  9. package/dist/js/schema/material/reusable/slab/enums/exposed_face.json +11 -0
  10. package/dist/js/schema/material/reusable/slab/number_of_layers.json +1 -1
  11. package/dist/js/schema/material/reusable/slab/termination.json +130 -2
  12. package/dist/js/schema/material/reusable/slab/vacuum.json +1 -1
  13. package/dist/js/schema/material.json +133 -2
  14. package/dist/js/schema/materials_category/defects/by_host/two_dimensional/adatom/configuration.json +926 -0
  15. package/dist/js/schema/materials_category/defects/by_host/two_dimensional/configuration.json +798 -0
  16. package/dist/js/schema/materials_category/defects/configuration.json +781 -0
  17. package/dist/js/schema/materials_category/defects/enums/point_defect_type.json +11 -0
  18. package/dist/js/schema/materials_category/defects/zero_dimensional/complex/pair.json +2629 -0
  19. package/dist/js/schema/materials_category/defects/zero_dimensional/point/configuration.json +925 -0
  20. package/dist/js/schema/materials_category/defects/zero_dimensional/point/interstitial/configuration.json +926 -0
  21. package/dist/js/schema/materials_category/defects/zero_dimensional/point/substitution/configuration.json +926 -0
  22. package/dist/js/schema/materials_category/defects/zero_dimensional/point/vacancy/configuration.json +926 -0
  23. package/dist/js/schema/materials_category/single_material/two_dimensional/slab/configuration.json +135 -4
  24. package/dist/js/schema/properties_directory/structural/basis/atomic_element.json +133 -2
  25. package/dist/js/schema/properties_directory/structural/basis/atomic_elements.json +133 -2
  26. package/dist/js/schema/properties_directory/structural/basis.json +133 -2
  27. package/dist/js/schemas.json +1 -1
  28. package/dist/js/types.d.ts +3022 -220
  29. package/example/materials_category/defects/by_host/two-dimensional/adatom/configuration.json +11 -0
  30. package/example/materials_category/defects/by_host/two-dimensional/configuration.json +8 -0
  31. package/example/materials_category/defects/configuration.json +5 -0
  32. package/example/materials_category/defects/zero-dimensional/point/configuration.json +11 -0
  33. package/package.json +1 -1
  34. package/schema/definitions/chemical_elements.json +144 -0
  35. package/schema/definitions/material.json +22 -0
  36. package/schema/element.json +1 -2
  37. package/schema/material/reusable/slab/enums/exposed_face.json +11 -0
  38. package/schema/material/reusable/slab/number_of_layers.json +1 -1
  39. package/schema/material/reusable/slab/termination.json +11 -2
  40. package/schema/material/reusable/slab/vacuum.json +1 -1
  41. package/schema/materials_category/defects/by_host/two-dimensional/adatom/configuration.json +16 -0
  42. package/schema/materials_category/defects/by_host/two-dimensional/configuration.json +26 -0
  43. package/schema/materials_category/defects/configuration.json +29 -0
  44. package/schema/materials_category/defects/zero-dimensional/complex/pair.json +20 -0
  45. package/schema/materials_category/defects/zero-dimensional/point/configuration.json +34 -0
  46. package/schema/materials_category/defects/zero-dimensional/point/enums/type.json +11 -0
  47. package/schema/materials_category/defects/zero-dimensional/point/interstitial/configuration.json +16 -0
  48. package/schema/materials_category/defects/zero-dimensional/point/substitution/configuration.json +16 -0
  49. package/schema/materials_category/defects/zero-dimensional/point/vacancy/configuration.json +16 -0
  50. package/schema/properties_directory/structural/basis/atomic_element.json +6 -1
  51. package/dist/js/schema/material/reusable/slab/enums.json +0 -11
  52. package/schema/material/reusable/slab/enums.json +0 -11
package/dist/js/schema/materials_category/defects/enums/point_defect_type.json ADDED
@@ -0,0 +1,11 @@
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+ {
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+ "$id": "materials-category/defects/enums/point-defect-type",
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+ "$schema": "http://json-schema.org/draft-07/schema#",
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+ "title": "Point Defect Type Enum",
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+ "type": "string",
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+ "enum": [
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+ "vacancy",
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+ "substitution",
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+ "interstitial"
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+ ]
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+ }