@mat3ra/esse 2025.5.17-0 → 2025.5.17-2

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Files changed (70) hide show
  1. package/dist/js/example/core/reusable/coordinate_conditions/box.json +13 -0
  2. package/dist/js/example/material/reusable/slab_configuration_with_termination.json +156 -0
  3. package/dist/js/example/materials_category/defects/one_dimensional/terrace/configuration.json +144 -0
  4. package/dist/js/example/materials_category/defects/two_dimensional/grain_boundary_plane/configuration.json +475 -0
  5. package/dist/js/example/materials_category/defects/zero_dimensional/complex/pair/configuration.json +406 -0
  6. package/dist/js/example/materials_category/defects/zero_dimensional/point/configuration.json +1 -1
  7. package/dist/js/example/materials_category/defects/zero_dimensional/point/interstitial/configuration.json +139 -0
  8. package/dist/js/example/materials_category/defects/zero_dimensional/point/substitution/configuration.json +138 -0
  9. package/dist/js/example/materials_category/defects/zero_dimensional/point/vacancy/configuration.json +137 -0
  10. package/dist/js/json_include/index.js +1 -0
  11. package/dist/js/schema/core/reusable/axis_enum.json +12 -0
  12. package/dist/js/schema/core/reusable/coordinate_conditions/base.json +24 -0
  13. package/dist/js/schema/core/reusable/coordinate_conditions/box.json +47 -0
  14. package/dist/js/schema/core/reusable/coordinate_conditions/enum.json +13 -0
  15. package/dist/js/schema/material/reusable/slab_configuration_with_termination.json +996 -0
  16. package/dist/js/schema/material/reusable/stack/slab_in_stack.json +1005 -0
  17. package/dist/js/schema/material/reusable/stack/stack_of_slabs.json +1032 -0
  18. package/dist/js/schema/material/reusable/stack/stack_of_two_slabs.json +1033 -0
  19. package/dist/js/schema/material/reusable/{supercell_matrix_2d.json → supercell/supercell_matrix_2d.json} +1 -1
  20. package/dist/js/schema/material/reusable/{supercell_matrix_3d.json → supercell/supercell_matrix_3d.json} +1 -1
  21. package/dist/js/schema/materials_category/defects/by_host/two_dimensional/layered/configuration.json +794 -0
  22. package/dist/js/schema/materials_category/defects/by_host/two_dimensional/{configuration.json → point/configuration.json} +6 -1
  23. package/dist/js/schema/materials_category/defects/configuration.json +5 -0
  24. package/dist/js/schema/materials_category/defects/one_dimensional/terrace/configuration.json +831 -0
  25. package/dist/js/schema/materials_category/defects/two_dimensional/grain_boundary_plane/configuration.json +2019 -0
  26. package/dist/js/schema/materials_category/defects/two_dimensional/island/condition.json.json +52 -0
  27. package/dist/js/schema/materials_category/defects/two_dimensional/island/configuration.json +845 -0
  28. package/dist/js/schema/materials_category/defects/zero_dimensional/complex/{pair.json → pair/configuration.json} +6 -1
  29. package/dist/js/schema/materials_category/multi_material/interfaces/configuration.json +1034 -0
  30. package/dist/js/schema/materials_category/single_material/two_dimensional/slab/configuration.json +3 -9
  31. package/dist/js/schemas.json +1 -1
  32. package/dist/js/types.d.ts +5716 -972
  33. package/example/core/reusable/coordinate_conditions/box.json +13 -0
  34. package/example/material/reusable/slab_configuration_with_termination.json +8 -0
  35. package/example/material/reusable/supercell/supercell_matrix_3d.json +11 -0
  36. package/example/materials_category/defects/by_host/two-dimensional/{configuration.json → point/configuration.json} +1 -1
  37. package/example/materials_category/defects/one-dimensional/terrace/configuration.json +19 -0
  38. package/example/materials_category/defects/two-dimensional/grain_boundary_plane/configuration.json +21 -0
  39. package/example/materials_category/defects/zero-dimensional/complex/pair/configuration.json +9 -0
  40. package/example/materials_category/defects/zero-dimensional/point/configuration.json +1 -1
  41. package/example/materials_category/defects/zero-dimensional/point/interstitial/configuration.json +14 -0
  42. package/example/materials_category/defects/zero-dimensional/point/substitution/configuration.json +13 -0
  43. package/example/materials_category/defects/zero-dimensional/point/vacancy/configuration.json +12 -0
  44. package/package.json +1 -1
  45. package/schema/core/primitive/axis_3d_names_enum.json +12 -0
  46. package/schema/core/reusable/coordinate_conditions/base.json +15 -0
  47. package/schema/core/reusable/coordinate_conditions/box.json +25 -0
  48. package/schema/core/reusable/coordinate_conditions/enum.json +13 -0
  49. package/schema/material/reusable/slab_configuration_with_termination.json +19 -0
  50. package/schema/material/reusable/stack/slab_in_stack.json +26 -0
  51. package/schema/material/reusable/stack/stack_of_slabs.json +31 -0
  52. package/schema/material/reusable/stack/stack_of_two_slabs.json +17 -0
  53. package/schema/material/reusable/{supercell_matrix_2d.json → supercell/supercell_matrix_2d.json} +1 -1
  54. package/schema/material/reusable/{supercell_matrix_3d.json → supercell/supercell_matrix_3d.json} +1 -1
  55. package/schema/materials_category/defects/by_host/two-dimensional/layered/configuration.json +16 -0
  56. package/schema/materials_category/defects/by_host/two-dimensional/{configuration.json → point/configuration.json} +3 -3
  57. package/schema/materials_category/defects/configuration.json +5 -0
  58. package/schema/materials_category/defects/one-dimensional/terrace/configuration.json +44 -0
  59. package/schema/materials_category/defects/two-dimensional/grain_boundary_plane/configuration.json +20 -0
  60. package/schema/materials_category/defects/two-dimensional/island/condition.json +9 -0
  61. package/schema/materials_category/defects/two-dimensional/island/configuration.json +18 -0
  62. package/schema/materials_category/defects/zero-dimensional/complex/{pair.json → pair/configuration.json} +4 -4
  63. package/schema/materials_category/multi-material/interfaces/configuration.json +12 -0
  64. package/schema/materials_category/single_material/two_dimensional/slab/configuration.json +4 -10
  65. package/src/js/json_include/index.ts +1 -0
  66. package/example/material/reusable/supercell_matrix_3d.json +0 -5
  67. /package/dist/js/example/material/reusable/{supercell_matrix_2d.json → supercell/supercell_matrix_2d.json} +0 -0
  68. /package/dist/js/example/material/reusable/{supercell_matrix_3d.json → supercell/supercell_matrix_3d.json} +0 -0
  69. /package/dist/js/example/materials_category/defects/by_host/two_dimensional/{configuration.json → point/configuration.json} +0 -0
  70. /package/example/material/reusable/{supercell_matrix_2d.json → supercell/supercell_matrix_2d.json} +0 -0
package/dist/js/schema/materials_category/single_material/two_dimensional/slab/configuration.json CHANGED
@@ -820,21 +820,15 @@
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  },
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  "use_conventional_cell": {
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  "title": "Use Conventional Cell",
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- "description": "Whether to use conventional cell",
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+ "description": "Whether to use conventional cell when generating the slab.",
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  "type": "boolean",
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  "default": true
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  },
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  "use_orthogonal_z": {
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  "title": "Use Orthogonal Z",
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- "description": "Whether to make z-axis orthogonal",
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+ "description": "Whether to make vector c orthogonal to ab plane for the slab cell.",
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  "type": "boolean",
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- "default": false
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- },
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- "make_primitive": {
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- "title": "Make Primitive",
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- "description": "Whether to make the slab primitive",
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- "type": "boolean",
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- "default": false
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+ "default": true
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  }
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  }
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  }