@mat3ra/esse 2025.7.29-0 → 2025.8.6-0

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 (29) hide show
  1. package/dist/js/example/materials_category_components/operations/core/combinations/stack.json +11 -1
  2. package/dist/js/schema/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.json +174 -3687
  3. package/dist/js/schema/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.json +174 -3687
  4. package/dist/js/schema/materials_category/defective_structures/two_dimensional/adatom/configuration.json +46 -0
  5. package/dist/js/schema/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.json +174 -3687
  6. package/dist/js/schema/materials_category/defective_structures/two_dimensional/island/configuration.json +69 -0
  7. package/dist/js/schema/materials_category/defective_structures/two_dimensional/terrace/configuration.json +69 -0
  8. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanoribbon.json +46 -0
  9. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanotape.json +23 -0
  10. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab.json +23 -0
  11. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.json +23 -0
  12. package/dist/js/schema/materials_category_components/entities/reusable/{repetitions.json → three_dimensional/repetitions.json} +1 -1
  13. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.json +46 -0
  14. package/dist/js/schema/materials_category_components/operations/core/combinations/stack.json +23 -0
  15. package/dist/js/schemas.json +1 -1
  16. package/dist/js/types.d.ts +6289 -12339
  17. package/example/materials_category_components/entities/reusable/three-dimensional/repetitions.json +3 -0
  18. package/example/materials_category_components/operations/core/combinations/stack.json +12 -2
  19. package/package.json +1 -1
  20. package/schema/materials_category/compound_pristine_structures/two-dimensional/interface/configuration.json +0 -6
  21. package/schema/materials_category/manifest.yaml +55 -133
  22. package/schema/materials_category_components/entities/reusable/{repetitions.json → three-dimensional/repetitions.json} +1 -1
  23. package/schema/materials_category_components/operations/core/combinations/stack.json +17 -0
  24. package/dist/js/example/materials_category/pristine_structures/two_dimensional/slab_strained_supercell_with_gap.json +0 -306
  25. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab_strained_supercell_with_gap.json +0 -1815
  26. package/example/materials_category/pristine_structures/two-dimensional/slab_strained_supercell_with_gap.json +0 -56
  27. package/example/materials_category_components/entities/reusable/repetitions.json +0 -1
  28. package/schema/materials_category/pristine_structures/two-dimensional/slab_strained_supercell_with_gap.json +0 -18
  29. /package/dist/js/example/materials_category_components/entities/reusable/{repetitions.json → three_dimensional/repetitions.json} +0 -0
package/example/materials_category/pristine_structures/two-dimensional/slab_strained_supercell_with_gap.json DELETED
@@ -1,56 +0,0 @@
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- {
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- "stack_components": [
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- {
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- "crystal": {
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- "...": "include(../../../material.json)"
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- },
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- "miller_indices": [
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- 0,
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- 0,
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- 1
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- ],
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- "use_conventional_cell": true,
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- "termination_top": {
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- "chemical_elements": "Si",
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- "space_group_symmetry_label": "P4/mmm_2"
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- },
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- "number_of_repetitions": 5
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- },
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- {
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- "direction": "z",
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- "size": 10,
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- "crystal": {
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- "...": "include(../../../material.json)"
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- }
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- }
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- ],
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- "direction": "z",
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- "xy_supercell_matrix": [
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- [
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- 2,
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- 0
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- ],
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- [
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- 0,
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- 2
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- ]
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- ],
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- "strain_matrix": [
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- [
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- 1.02,
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- 0,
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- 0
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- ],
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- [
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- 0,
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- 1.02,
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- 0
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- ],
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- [
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- 0,
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- 0,
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- 1
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- ]
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- ],
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- "gap": 2.5
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- }
package/schema/materials_category/pristine_structures/two-dimensional/slab_strained_supercell_with_gap.json DELETED
@@ -1,18 +0,0 @@
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- {
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- "$id": "materials-category/pristine-structures/two-dimensional/slab-strained-supercell-with-gap",
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- "$schema": "http://json-schema.org/draft-07/schema#",
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- "title": "Slab Strained Supercell with Gap Configuration Schema",
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- "description": "A slab structure configuration with supercell transformation, strain matrix, and optional gap for film positioning",
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- "allOf": [
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- {
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- "$ref": "slab_strained_supercell.json"
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- }
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- ],
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- "properties": {
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- "gap": {
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- "type": "number",
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- "description": "If provided, the film is shifted to have it as smallest distance to the substrate",
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- "minimum": 0
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- }
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- }
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- }