@mat3ra/esse 2025.5.17-2 → 2025.6.14-0
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.
- package/dist/js/example/apse/materials/builders/slab/pymatgen/parameters.json +1 -1
- package/dist/js/example/materials_category/pristine_structures/two_dimensional/slab.json +288 -0
- package/dist/js/example/{material/reusable/supercell → materials_category_components/entities/auxiliary/three_dimensional}/supercell_matrix_3d.json +2 -2
- package/dist/js/example/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.json +7 -0
- package/dist/js/example/materials_category_components/entities/core/three_dimensional/crystal.json +128 -0
- package/dist/js/example/materials_category_components/entities/core/three_dimensional/void.json +20 -0
- package/dist/js/example/{materials_category/defects/configuration.json → materials_category_components/entities/core/two_dimensional/vacuum.json} +3 -1
- package/dist/js/example/materials_category_components/entities/core/zero_dimensional/atom.json +3 -0
- package/dist/js/example/materials_category_components/entities/reusable/repetitions.json +5 -0
- package/dist/js/example/materials_category_components/operations/core/combinations/merge.json +265 -0
- package/dist/js/example/materials_category_components/operations/core/combinations/stack.json +265 -0
- package/dist/js/example/materials_category_components/operations/core/combinations/stack_component.json +128 -0
- package/dist/js/example/materials_category_components/operations/core/modifications/repeat.json +19 -0
- package/dist/js/example/materials_category_components/operations/core/modifications/strain.json +19 -0
- package/dist/js/schema/apse/materials/builders/slab/pymatgen/parameters.json +3 -3
- package/dist/js/schema/core/primitive/array_of_3_integers.json +11 -0
- package/dist/js/schema/{materials_category/defects/two_dimensional/island/condition.json.json → core/reusable/coordinate_conditions.json} +4 -2
- package/dist/js/schema/materials_category/pristine_structures/three_dimensional/ideal_crystal.json +757 -0
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab.json +1792 -0
- package/dist/js/schema/{material/reusable/supercell → materials_category_components/entities/auxiliary/three_dimensional}/supercell_matrix_3d.json +3 -1
- package/dist/js/schema/{material/reusable/slab → materials_category_components/entities/auxiliary/two_dimensional}/miller_indices.json +5 -5
- package/dist/js/schema/{material/reusable/supercell → materials_category_components/entities/auxiliary/two_dimensional}/supercell_matrix_2d.json +1 -1
- package/dist/js/schema/{material/reusable/slab → materials_category_components/entities/auxiliary/two_dimensional}/termination.json +2 -2
- package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.json +22 -0
- package/dist/js/schema/materials_category_components/entities/core/three_dimensional/crystal.json +757 -0
- package/dist/js/schema/materials_category_components/entities/core/three_dimensional/void.json +76 -0
- package/dist/js/schema/materials_category_components/entities/core/two_dimensional/vacuum.json +787 -0
- package/dist/js/schema/materials_category_components/entities/core/zero_dimensional/atom.json +134 -0
- package/dist/js/schema/{material → materials_category_components/entities}/reusable/repetitions.json +1 -1
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.json +786 -0
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_uniform.json +773 -0
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/supercell.json +786 -0
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers.json +947 -0
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.json +947 -0
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.json +948 -0
- package/dist/js/schema/{materials_category/single_material/two_dimensional/slab/configuration.json → materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.json} +16 -59
- package/dist/js/schema/{materials_category/defects/two_dimensional/grain_boundary_plane/configuration.json → materials_category_components/entities/reusable/two_dimensional/slab_unit_cell.json} +921 -1174
- package/dist/js/schema/{materials_category/multi_material/interfaces/configuration.json → materials_category_components/operations/core/combinations/merge.json} +859 -252
- package/dist/js/schema/{material/reusable/stack/stack_of_slabs.json → materials_category_components/operations/core/combinations/stack.json} +796 -253
- package/dist/js/schema/{material/reusable/slab_configuration_with_termination.json → materials_category_components/operations/core/combinations/stack_component.json} +789 -235
- package/dist/js/schema/materials_category_components/operations/core/modifications/repeat.json +42 -0
- package/dist/js/schema/materials_category_components/operations/core/modifications/strain.json +24 -0
- package/dist/js/schemas.json +1 -1
- package/dist/js/types.d.ts +4698 -4703
- package/example/apse/materials/builders/slab/pymatgen/parameters.json +1 -1
- package/example/materials_category/pristine_structures/two-dimensional/slab.json +38 -0
- package/example/materials_category_components/entities/auxiliary/three-dimensional/supercell_matrix_3d.json +5 -0
- package/example/materials_category_components/entities/auxiliary/two-dimensional/miller_indices.json +1 -0
- package/example/materials_category_components/entities/auxiliary/two-dimensional/supercell_matrix_2d.json +4 -0
- package/example/{material/reusable/slab → materials_category_components/entities/auxiliary/two-dimensional}/termination.json +1 -1
- package/example/materials_category_components/entities/auxiliary/zero-dimensional/crystal_site.json +3 -0
- package/example/materials_category_components/entities/core/three-dimensional/crystal.json +3 -0
- package/example/materials_category_components/entities/core/three-dimensional/void.json +8 -0
- package/example/materials_category_components/entities/core/two-dimensional/vacuum.json +7 -0
- package/example/materials_category_components/entities/core/zero-dimensional/atom.json +3 -0
- package/example/materials_category_components/entities/reusable/repetitions.json +1 -0
- package/example/materials_category_components/operations/core/combinations/merge.json +11 -0
- package/example/materials_category_components/operations/core/combinations/stack.json +11 -0
- package/example/materials_category_components/operations/core/combinations/stack_component.json +3 -0
- package/example/materials_category_components/operations/core/modifications/repeat.json +13 -0
- package/example/materials_category_components/operations/core/modifications/strain.json +7 -0
- package/package.json +1 -1
- package/schema/apse/materials/builders/slab/pymatgen/parameters.json +3 -3
- package/schema/core/primitive/array_of_3_integers.json +11 -0
- package/schema/core/reusable/coordinate_conditions/index.json +11 -0
- package/schema/materials_category/manifest.yaml +268 -0
- package/schema/materials_category/pristine_structures/three-dimensional/ideal_crystal.json +11 -0
- package/schema/materials_category/pristine_structures/two-dimensional/slab.json +17 -0
- package/schema/{material/reusable/supercell → materials_category_components/entities/auxiliary/three-dimensional}/supercell_matrix_3d.json +2 -7
- package/schema/materials_category_components/entities/auxiliary/two-dimensional/miller_indices.json +16 -0
- package/schema/{material/reusable/supercell → materials_category_components/entities/auxiliary/two-dimensional}/supercell_matrix_2d.json +1 -1
- package/schema/{material/reusable/slab → materials_category_components/entities/auxiliary/two-dimensional}/termination.json +3 -3
- package/schema/materials_category_components/entities/auxiliary/zero-dimensional/crystal_site.json +15 -0
- package/schema/materials_category_components/entities/core/three-dimensional/crystal.json +11 -0
- package/schema/materials_category_components/entities/core/three-dimensional/void.json +19 -0
- package/schema/materials_category_components/entities/core/two-dimensional/vacuum.json +27 -0
- package/schema/materials_category_components/entities/core/zero-dimensional/atom.json +15 -0
- package/schema/{material → materials_category_components/entities}/reusable/repetitions.json +1 -1
- package/schema/materials_category_components/entities/reusable/three-dimensional/strained_non_uniform.json +20 -0
- package/schema/materials_category_components/entities/reusable/three-dimensional/strained_uniform.json +20 -0
- package/schema/materials_category_components/entities/reusable/three-dimensional/supercell.json +20 -0
- package/schema/materials_category_components/entities/reusable/two-dimensional/atomic_layers.json +12 -0
- package/schema/materials_category_components/entities/reusable/two-dimensional/atomic_layers_unique.json +25 -0
- package/schema/materials_category_components/entities/reusable/two-dimensional/atomic_layers_unique_repeated.json +27 -0
- package/schema/materials_category_components/entities/reusable/two-dimensional/crystal_lattice_planes.json +25 -0
- package/schema/materials_category_components/entities/reusable/two-dimensional/slab_unit_cell.json +33 -0
- package/schema/materials_category_components/operations/core/combinations/merge.json +33 -0
- package/schema/materials_category_components/operations/core/combinations/stack.json +21 -0
- package/schema/materials_category_components/operations/core/combinations/stack_component.json +14 -0
- package/schema/materials_category_components/operations/core/modifications/repeat.json +10 -0
- package/schema/materials_category_components/operations/core/modifications/strain.json +10 -0
- package/dist/js/example/material/builders/base/selector_parameters.json +0 -3
- package/dist/js/example/material/builders/single_material/two_dimensional/slab/selector_parameters.json +0 -6
- package/dist/js/example/material/reusable/repetitions.json +0 -5
- package/dist/js/example/material/reusable/slab/number_of_layers.json +0 -1
- package/dist/js/example/material/reusable/slab/vacuum.json +0 -1
- package/dist/js/example/material/reusable/slab_configuration_with_termination.json +0 -156
- package/dist/js/example/materials_category/defects/by_host/two_dimensional/adatom/configuration.json +0 -138
- package/dist/js/example/materials_category/defects/by_host/two_dimensional/point/configuration.json +0 -135
- package/dist/js/example/materials_category/defects/one_dimensional/terrace/configuration.json +0 -144
- package/dist/js/example/materials_category/defects/two_dimensional/grain_boundary_plane/configuration.json +0 -475
- package/dist/js/example/materials_category/defects/zero_dimensional/complex/pair/configuration.json +0 -406
- package/dist/js/example/materials_category/defects/zero_dimensional/point/configuration.json +0 -138
- package/dist/js/example/materials_category/defects/zero_dimensional/point/interstitial/configuration.json +0 -139
- package/dist/js/example/materials_category/defects/zero_dimensional/point/substitution/configuration.json +0 -138
- package/dist/js/example/materials_category/defects/zero_dimensional/point/vacancy/configuration.json +0 -137
- package/dist/js/example/materials_category/single_material/two_dimensional/slab/configuration.json +0 -150
- package/dist/js/schema/material/builders/base/selector_parameters.json +0 -15
- package/dist/js/schema/material/builders/single_material/two_dimensional/slab/builder_parameters.json +0 -33
- package/dist/js/schema/material/builders/single_material/two_dimensional/slab/selector_parameters.json +0 -159
- package/dist/js/schema/material/reusable/slab/enums/exposed_face.json +0 -11
- package/dist/js/schema/material/reusable/slab/number_of_layers.json +0 -9
- package/dist/js/schema/material/reusable/slab/vacuum.json +0 -9
- package/dist/js/schema/material/reusable/stack/slab_in_stack.json +0 -1005
- package/dist/js/schema/material/reusable/stack/stack_of_two_slabs.json +0 -1033
- package/dist/js/schema/materials_category/defects/by_host/two_dimensional/adatom/configuration.json +0 -926
- package/dist/js/schema/materials_category/defects/by_host/two_dimensional/layered/configuration.json +0 -794
- package/dist/js/schema/materials_category/defects/by_host/two_dimensional/point/configuration.json +0 -803
- package/dist/js/schema/materials_category/defects/configuration.json +0 -786
- package/dist/js/schema/materials_category/defects/enums/point_defect_type.json +0 -11
- package/dist/js/schema/materials_category/defects/one_dimensional/terrace/configuration.json +0 -831
- package/dist/js/schema/materials_category/defects/two_dimensional/island/configuration.json +0 -845
- package/dist/js/schema/materials_category/defects/zero_dimensional/complex/pair/configuration.json +0 -2634
- package/dist/js/schema/materials_category/defects/zero_dimensional/point/configuration.json +0 -925
- package/dist/js/schema/materials_category/defects/zero_dimensional/point/interstitial/configuration.json +0 -926
- package/dist/js/schema/materials_category/defects/zero_dimensional/point/substitution/configuration.json +0 -926
- package/dist/js/schema/materials_category/defects/zero_dimensional/point/vacancy/configuration.json +0 -926
- package/example/material/builders/base/selector_parameters.json +0 -3
- package/example/material/builders/single_material/two_dimensional/slab/selector_parameters.json +0 -6
- package/example/material/reusable/repetitions.json +0 -1
- package/example/material/reusable/slab/miller_indices.json +0 -5
- package/example/material/reusable/slab/number_of_layers.json +0 -1
- package/example/material/reusable/slab/vacuum.json +0 -1
- package/example/material/reusable/slab_configuration_with_termination.json +0 -8
- package/example/material/reusable/supercell/supercell_matrix_2d.json +0 -10
- package/example/material/reusable/supercell/supercell_matrix_3d.json +0 -11
- package/example/materials_category/defects/by_host/two-dimensional/adatom/configuration.json +0 -11
- package/example/materials_category/defects/by_host/two-dimensional/point/configuration.json +0 -8
- package/example/materials_category/defects/configuration.json +0 -5
- package/example/materials_category/defects/one-dimensional/terrace/configuration.json +0 -19
- package/example/materials_category/defects/two-dimensional/grain_boundary_plane/configuration.json +0 -21
- package/example/materials_category/defects/zero-dimensional/complex/pair/configuration.json +0 -9
- package/example/materials_category/defects/zero-dimensional/point/configuration.json +0 -11
- package/example/materials_category/defects/zero-dimensional/point/interstitial/configuration.json +0 -14
- package/example/materials_category/defects/zero-dimensional/point/substitution/configuration.json +0 -13
- package/example/materials_category/defects/zero-dimensional/point/vacancy/configuration.json +0 -12
- package/example/materials_category/single_material/two_dimensional/slab/configuration.json +0 -25
- package/schema/material/builders/base/selector_parameters.json +0 -15
- package/schema/material/builders/single_material/two_dimensional/slab/builder_parameters.json +0 -12
- package/schema/material/builders/single_material/two_dimensional/slab/selector_parameters.json +0 -12
- package/schema/material/reusable/slab/enums/exposed_face.json +0 -11
- package/schema/material/reusable/slab/miller_indices.json +0 -17
- package/schema/material/reusable/slab/number_of_layers.json +0 -9
- package/schema/material/reusable/slab/vacuum.json +0 -9
- package/schema/material/reusable/slab_configuration_with_termination.json +0 -19
- package/schema/material/reusable/stack/slab_in_stack.json +0 -26
- package/schema/material/reusable/stack/stack_of_slabs.json +0 -31
- package/schema/material/reusable/stack/stack_of_two_slabs.json +0 -17
- package/schema/materials_category/defects/by_host/two-dimensional/adatom/configuration.json +0 -16
- package/schema/materials_category/defects/by_host/two-dimensional/layered/configuration.json +0 -16
- package/schema/materials_category/defects/by_host/two-dimensional/point/configuration.json +0 -26
- package/schema/materials_category/defects/configuration.json +0 -34
- package/schema/materials_category/defects/one-dimensional/terrace/configuration.json +0 -44
- package/schema/materials_category/defects/two-dimensional/grain_boundary_plane/configuration.json +0 -20
- package/schema/materials_category/defects/two-dimensional/island/condition.json +0 -9
- package/schema/materials_category/defects/two-dimensional/island/configuration.json +0 -18
- package/schema/materials_category/defects/zero-dimensional/complex/pair/configuration.json +0 -20
- package/schema/materials_category/defects/zero-dimensional/point/configuration.json +0 -34
- package/schema/materials_category/defects/zero-dimensional/point/enums/type.json +0 -11
- package/schema/materials_category/defects/zero-dimensional/point/interstitial/configuration.json +0 -16
- package/schema/materials_category/defects/zero-dimensional/point/substitution/configuration.json +0 -16
- package/schema/materials_category/defects/zero-dimensional/point/vacancy/configuration.json +0 -16
- package/schema/materials_category/multi-material/interfaces/configuration.json +0 -12
- package/schema/materials_category/single_material/two_dimensional/slab/configuration.json +0 -36
- /package/dist/js/example/{material/reusable/slab → materials_category_components/entities/auxiliary/two_dimensional}/miller_indices.json +0 -0
- /package/dist/js/example/{material/reusable/supercell → materials_category_components/entities/auxiliary/two_dimensional}/supercell_matrix_2d.json +0 -0
- /package/dist/js/example/{material/reusable/slab → materials_category_components/entities/auxiliary/two_dimensional}/termination.json +0 -0
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"description": "Use the conventional cell for the crystal structure",
|
|
831
788
|
"default": true
|
|
832
789
|
}
|
|
833
790
|
}
|