@mat3ra/esse 2025.12.16-0 → 2026.1.15-0

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 (51) hide show
  1. package/dist/js/schema/apse/db/third_party_sources.json +2 -1
  2. package/dist/js/schema/job.json +8 -0
  3. package/dist/js/schema/material.json +2 -1
  4. package/dist/js/schema/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.json +18 -9
  5. package/dist/js/schema/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.json +18 -9
  6. package/dist/js/schema/materials_category/defective_structures/two_dimensional/adatom/configuration.json +8 -4
  7. package/dist/js/schema/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.json +18 -9
  8. package/dist/js/schema/materials_category/defective_structures/two_dimensional/island/configuration.json +12 -6
  9. package/dist/js/schema/materials_category/defective_structures/two_dimensional/terrace/configuration.json +12 -6
  10. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/base_configuration.json +2 -1
  11. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.json +4 -2
  12. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.json +4 -2
  13. package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.json +2 -1
  14. package/dist/js/schema/materials_category/pristine_structures/three_dimensional/ideal_crystal.json +2 -1
  15. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanoribbon.json +6 -3
  16. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanotape.json +4 -2
  17. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab.json +4 -2
  18. package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.json +4 -2
  19. package/dist/js/schema/materials_category/processed_structures/two_dimensional/passivation/configuration.json +4 -2
  20. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.json +2 -1
  21. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.json +2 -1
  22. package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/void_region.json +2 -1
  23. package/dist/js/schema/materials_category_components/entities/core/three_dimensional/crystal.json +2 -1
  24. package/dist/js/schema/materials_category_components/entities/core/two_dimensional/vacuum.json +2 -1
  25. package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines.json +2 -1
  26. package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines_unique_repeated.json +2 -1
  27. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/crystal_lattice_base.json +2 -1
  28. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.json +2 -1
  29. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_uniform.json +2 -1
  30. package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/supercell.json +2 -1
  31. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers.json +2 -1
  32. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.json +2 -1
  33. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.json +2 -1
  34. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.json +2 -1
  35. package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.json +6 -3
  36. package/dist/js/schema/materials_category_components/operations/core/modifications/perturb.json +2 -1
  37. package/dist/js/schema/properties_directory/non_scalar/workflow.json +8 -0
  38. package/dist/js/schema/property/holder.json +8 -0
  39. package/dist/js/schema/software/executable.json +4 -0
  40. package/dist/js/schema/software_directory/modeling/unit/execution.json +4 -0
  41. package/dist/js/schema/software_directory/scripting/unit/execution.json +4 -0
  42. package/dist/js/schema/workflow/subworkflow/unit.json +4 -0
  43. package/dist/js/schema/workflow/subworkflow.json +4 -0
  44. package/dist/js/schema/workflow/unit/execution.json +4 -0
  45. package/dist/js/schema/workflow/unit.json +4 -0
  46. package/dist/js/schema/workflow.json +8 -0
  47. package/dist/js/schemas.json +1 -1
  48. package/dist/js/types.d.ts +161 -101
  49. package/package.json +1 -1
  50. package/schema/apse/db/third_party_sources.json +2 -1
  51. package/schema/software/executable.json +4 -0
@@ -871,7 +871,8 @@
871
871
  "MaterialsProject",
872
872
  "MaterialsProjectLegacy",
873
873
  "ICSD",
874
- "2dmatpedia"
874
+ "2dmatpedia",
875
+ "MaterialsVirtualLab"
875
876
  ]
876
877
  },
877
878
  "origin": {
@@ -1668,7 +1669,8 @@
1668
1669
  "MaterialsProject",
1669
1670
  "MaterialsProjectLegacy",
1670
1671
  "ICSD",
1671
- "2dmatpedia"
1672
+ "2dmatpedia",
1673
+ "MaterialsVirtualLab"
1672
1674
  ]
1673
1675
  },
1674
1676
  "origin": {
@@ -642,7 +642,8 @@
642
642
  "MaterialsProject",
643
643
  "MaterialsProjectLegacy",
644
644
  "ICSD",
645
- "2dmatpedia"
645
+ "2dmatpedia",
646
+ "MaterialsVirtualLab"
646
647
  ]
647
648
  },
648
649
  "origin": {
@@ -1415,7 +1416,8 @@
1415
1416
  "MaterialsProject",
1416
1417
  "MaterialsProjectLegacy",
1417
1418
  "ICSD",
1418
- "2dmatpedia"
1419
+ "2dmatpedia",
1420
+ "MaterialsVirtualLab"
1419
1421
  ]
1420
1422
  },
1421
1423
  "origin": {
@@ -637,7 +637,8 @@
637
637
  "MaterialsProject",
638
638
  "MaterialsProjectLegacy",
639
639
  "ICSD",
640
- "2dmatpedia"
640
+ "2dmatpedia",
641
+ "MaterialsVirtualLab"
641
642
  ]
642
643
  },
643
644
  "origin": {
@@ -638,7 +638,8 @@
638
638
  "MaterialsProject",
639
639
  "MaterialsProjectLegacy",
640
640
  "ICSD",
641
- "2dmatpedia"
641
+ "2dmatpedia",
642
+ "MaterialsVirtualLab"
642
643
  ]
643
644
  },
644
645
  "origin": {
@@ -636,7 +636,8 @@
636
636
  "MaterialsProject",
637
637
  "MaterialsProjectLegacy",
638
638
  "ICSD",
639
- "2dmatpedia"
639
+ "2dmatpedia",
640
+ "MaterialsVirtualLab"
640
641
  ]
641
642
  },
642
643
  "origin": {
@@ -627,7 +627,8 @@
627
627
  "MaterialsProject",
628
628
  "MaterialsProjectLegacy",
629
629
  "ICSD",
630
- "2dmatpedia"
630
+ "2dmatpedia",
631
+ "MaterialsVirtualLab"
631
632
  ]
632
633
  },
633
634
  "origin": {
@@ -655,7 +655,8 @@
655
655
  "MaterialsProject",
656
656
  "MaterialsProjectLegacy",
657
657
  "ICSD",
658
- "2dmatpedia"
658
+ "2dmatpedia",
659
+ "MaterialsVirtualLab"
659
660
  ]
660
661
  },
661
662
  "origin": {
@@ -648,7 +648,8 @@
648
648
  "MaterialsProject",
649
649
  "MaterialsProjectLegacy",
650
650
  "ICSD",
651
- "2dmatpedia"
651
+ "2dmatpedia",
652
+ "MaterialsVirtualLab"
652
653
  ]
653
654
  },
654
655
  "origin": {
@@ -963,7 +963,8 @@
963
963
  "MaterialsProject",
964
964
  "MaterialsProjectLegacy",
965
965
  "ICSD",
966
- "2dmatpedia"
966
+ "2dmatpedia",
967
+ "MaterialsVirtualLab"
967
968
  ]
968
969
  },
969
970
  "origin": {
@@ -636,7 +636,8 @@
636
636
  "MaterialsProject",
637
637
  "MaterialsProjectLegacy",
638
638
  "ICSD",
639
- "2dmatpedia"
639
+ "2dmatpedia",
640
+ "MaterialsVirtualLab"
640
641
  ]
641
642
  },
642
643
  "origin": {
@@ -637,7 +637,8 @@
637
637
  "MaterialsProject",
638
638
  "MaterialsProjectLegacy",
639
639
  "ICSD",
640
- "2dmatpedia"
640
+ "2dmatpedia",
641
+ "MaterialsVirtualLab"
641
642
  ]
642
643
  },
643
644
  "origin": {
@@ -637,7 +637,8 @@
637
637
  "MaterialsProject",
638
638
  "MaterialsProjectLegacy",
639
639
  "ICSD",
640
- "2dmatpedia"
640
+ "2dmatpedia",
641
+ "MaterialsVirtualLab"
641
642
  ]
642
643
  },
643
644
  "origin": {
@@ -637,7 +637,8 @@
637
637
  "MaterialsProject",
638
638
  "MaterialsProjectLegacy",
639
639
  "ICSD",
640
- "2dmatpedia"
640
+ "2dmatpedia",
641
+ "MaterialsVirtualLab"
641
642
  ]
642
643
  },
643
644
  "origin": {
@@ -810,7 +810,8 @@
810
810
  "MaterialsProject",
811
811
  "MaterialsProjectLegacy",
812
812
  "ICSD",
813
- "2dmatpedia"
813
+ "2dmatpedia",
814
+ "MaterialsVirtualLab"
814
815
  ]
815
816
  },
816
817
  "origin": {
@@ -810,7 +810,8 @@
810
810
  "MaterialsProject",
811
811
  "MaterialsProjectLegacy",
812
812
  "ICSD",
813
- "2dmatpedia"
813
+ "2dmatpedia",
814
+ "MaterialsVirtualLab"
814
815
  ]
815
816
  },
816
817
  "origin": {
@@ -811,7 +811,8 @@
811
811
  "MaterialsProject",
812
812
  "MaterialsProjectLegacy",
813
813
  "ICSD",
814
- "2dmatpedia"
814
+ "2dmatpedia",
815
+ "MaterialsVirtualLab"
815
816
  ]
816
817
  },
817
818
  "origin": {
@@ -653,7 +653,8 @@
653
653
  "MaterialsProject",
654
654
  "MaterialsProjectLegacy",
655
655
  "ICSD",
656
- "2dmatpedia"
656
+ "2dmatpedia",
657
+ "MaterialsVirtualLab"
657
658
  ]
658
659
  },
659
660
  "origin": {
@@ -841,7 +841,8 @@
841
841
  "MaterialsProject",
842
842
  "MaterialsProjectLegacy",
843
843
  "ICSD",
844
- "2dmatpedia"
844
+ "2dmatpedia",
845
+ "MaterialsVirtualLab"
845
846
  ]
846
847
  },
847
848
  "origin": {
@@ -1638,7 +1639,8 @@
1638
1639
  "MaterialsProject",
1639
1640
  "MaterialsProjectLegacy",
1640
1641
  "ICSD",
1641
- "2dmatpedia"
1642
+ "2dmatpedia",
1643
+ "MaterialsVirtualLab"
1642
1644
  ]
1643
1645
  },
1644
1646
  "origin": {
@@ -2473,7 +2475,8 @@
2473
2475
  "MaterialsProject",
2474
2476
  "MaterialsProjectLegacy",
2475
2477
  "ICSD",
2476
- "2dmatpedia"
2478
+ "2dmatpedia",
2479
+ "MaterialsVirtualLab"
2477
2480
  ]
2478
2481
  },
2479
2482
  "origin": {
@@ -632,7 +632,8 @@
632
632
  "MaterialsProject",
633
633
  "MaterialsProjectLegacy",
634
634
  "ICSD",
635
- "2dmatpedia"
635
+ "2dmatpedia",
636
+ "MaterialsVirtualLab"
636
637
  ]
637
638
  },
638
639
  "origin": {
@@ -1257,6 +1257,10 @@
1257
1257
  "type": "string"
1258
1258
  }
1259
1259
  },
1260
+ "applicationName": {
1261
+ "description": "name of the application this executable belongs to",
1262
+ "type": "string"
1263
+ },
1260
1264
  "hasAdvancedComputeOptions": {
1261
1265
  "description": "Whether advanced compute options are present",
1262
1266
  "type": "boolean"
@@ -3857,6 +3861,10 @@
3857
3861
  "type": "string"
3858
3862
  }
3859
3863
  },
3864
+ "applicationName": {
3865
+ "description": "name of the application this executable belongs to",
3866
+ "type": "string"
3867
+ },
3860
3868
  "hasAdvancedComputeOptions": {
3861
3869
  "description": "Whether advanced compute options are present",
3862
3870
  "type": "boolean"
@@ -3265,6 +3265,10 @@
3265
3265
  "type": "string"
3266
3266
  }
3267
3267
  },
3268
+ "applicationName": {
3269
+ "description": "name of the application this executable belongs to",
3270
+ "type": "string"
3271
+ },
3268
3272
  "hasAdvancedComputeOptions": {
3269
3273
  "description": "Whether advanced compute options are present",
3270
3274
  "type": "boolean"
@@ -5865,6 +5869,10 @@
5865
5869
  "type": "string"
5866
5870
  }
5867
5871
  },
5872
+ "applicationName": {
5873
+ "description": "name of the application this executable belongs to",
5874
+ "type": "string"
5875
+ },
5868
5876
  "hasAdvancedComputeOptions": {
5869
5877
  "description": "Whether advanced compute options are present",
5870
5878
  "type": "boolean"
@@ -18,6 +18,10 @@
18
18
  "type": "string"
19
19
  }
20
20
  },
21
+ "applicationName": {
22
+ "description": "name of the application this executable belongs to",
23
+ "type": "string"
24
+ },
21
25
  "hasAdvancedComputeOptions": {
22
26
  "description": "Whether advanced compute options are present",
23
27
  "type": "boolean"
@@ -92,6 +92,10 @@
92
92
  "type": "string"
93
93
  }
94
94
  },
95
+ "applicationName": {
96
+ "description": "name of the application this executable belongs to",
97
+ "type": "string"
98
+ },
95
99
  "hasAdvancedComputeOptions": {
96
100
  "description": "Whether advanced compute options are present",
97
101
  "type": "boolean"
@@ -92,6 +92,10 @@
92
92
  "type": "string"
93
93
  }
94
94
  },
95
+ "applicationName": {
96
+ "description": "name of the application this executable belongs to",
97
+ "type": "string"
98
+ },
95
99
  "hasAdvancedComputeOptions": {
96
100
  "description": "Whether advanced compute options are present",
97
101
  "type": "boolean"
@@ -1223,6 +1223,10 @@
1223
1223
  "type": "string"
1224
1224
  }
1225
1225
  },
1226
+ "applicationName": {
1227
+ "description": "name of the application this executable belongs to",
1228
+ "type": "string"
1229
+ },
1226
1230
  "hasAdvancedComputeOptions": {
1227
1231
  "description": "Whether advanced compute options are present",
1228
1232
  "type": "boolean"
@@ -1237,6 +1237,10 @@
1237
1237
  "type": "string"
1238
1238
  }
1239
1239
  },
1240
+ "applicationName": {
1241
+ "description": "name of the application this executable belongs to",
1242
+ "type": "string"
1243
+ },
1240
1244
  "hasAdvancedComputeOptions": {
1241
1245
  "description": "Whether advanced compute options are present",
1242
1246
  "type": "boolean"
@@ -92,6 +92,10 @@
92
92
  "type": "string"
93
93
  }
94
94
  },
95
+ "applicationName": {
96
+ "description": "name of the application this executable belongs to",
97
+ "type": "string"
98
+ },
95
99
  "hasAdvancedComputeOptions": {
96
100
  "description": "Whether advanced compute options are present",
97
101
  "type": "boolean"
@@ -1223,6 +1223,10 @@
1223
1223
  "type": "string"
1224
1224
  }
1225
1225
  },
1226
+ "applicationName": {
1227
+ "description": "name of the application this executable belongs to",
1228
+ "type": "string"
1229
+ },
1226
1230
  "hasAdvancedComputeOptions": {
1227
1231
  "description": "Whether advanced compute options are present",
1228
1232
  "type": "boolean"
@@ -1249,6 +1249,10 @@
1249
1249
  "type": "string"
1250
1250
  }
1251
1251
  },
1252
+ "applicationName": {
1253
+ "description": "name of the application this executable belongs to",
1254
+ "type": "string"
1255
+ },
1252
1256
  "hasAdvancedComputeOptions": {
1253
1257
  "description": "Whether advanced compute options are present",
1254
1258
  "type": "boolean"
@@ -3849,6 +3853,10 @@
3849
3853
  "type": "string"
3850
3854
  }
3851
3855
  },
3856
+ "applicationName": {
3857
+ "description": "name of the application this executable belongs to",
3858
+ "type": "string"
3859
+ },
3852
3860
  "hasAdvancedComputeOptions": {
3853
3861
  "description": "Whether advanced compute options are present",
3854
3862
  "type": "boolean"