@mat3ra/esse 2025.8.6-1 → 2025.8.8-0
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/schema/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.json +30 -25
- package/dist/js/schema/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.json +30 -25
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/adatom/configuration.json +12 -10
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.json +30 -25
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/island/configuration.json +18 -15
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/terrace/configuration.json +18 -15
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanoribbon.json +12 -10
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanotape.json +6 -5
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab.json +6 -5
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.json +6 -5
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.json +12 -10
- package/dist/js/schema/materials_category_components/operations/core/combinations/stack.json +6 -5
- package/dist/js/schemas.json +1 -1
- package/dist/js/types.d.ts +195 -78
- package/package.json +1 -1
- package/schema/materials_category/manifest.yaml +3 -0
- package/schema/materials_category_components/operations/core/combinations/stack.json +3 -4
package/dist/js/types.d.ts
CHANGED
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@@ -7097,10 +7097,13 @@ export interface InterfaceConfigurationSchema {
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*/
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direction: "x" | "y" | "z";
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/**
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* Gap distances between stack components as array of objects with id and value
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*/
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gaps?: {
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/**
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* value of this entry
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*/
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value: number;
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/**
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* integer id of this entry
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*/
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@@ -7688,10 +7691,13 @@ export interface InterfaceConfigurationSchema {
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*/
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direction: "x" | "y" | "z";
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/**
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* Gap distances between stack components as array of objects with id and value
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gaps?: {
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* value of this entry
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value: number;
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/**
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* integer id of this entry
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*/
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*/
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direction: "x" | "y" | "z";
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/**
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* Gap distances between stack components as array of objects with id and value
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gaps?: {
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* value of this entry
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value: number;
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/**
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* integer id of this entry
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*/
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*/
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direction: "x" | "y" | "z";
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/**
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* Gap distances between stack components as
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* Gap distances between stack components as array of objects with id and value
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gaps?: {
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* value of this entry
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value: number;
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* integer id of this entry
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*/
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direction: "x" | "y" | "z";
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/**
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* Gap distances between stack components as array of objects with id and value
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gaps?: {
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value: number;
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* integer id of this entry
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*/
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direction: "x" | "y" | "z";
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* Gap distances between stack components as array of objects with id and value
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gaps?: {
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* value of this entry
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value: number;
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direction: "x" | "y" | "z";
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* Gap distances between stack components as array of objects with id and value
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gaps?: {
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* value of this entry
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value: number;
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*/
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direction: "x" | "y" | "z";
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* Gap distances between stack components as array of objects with id and value
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gaps?: {
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value: number;
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xy_shift?: [number, number];
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/**
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* Gap distances between stack components as array of objects with id and value
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gaps?: {
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value: number;
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direction: "x" | "y" | "z";
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gaps?: {
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value: number;
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direction: "x" | "y" | "z";
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/**
|
|
18030
|
+
* value of this entry
|
|
18031
|
+
*/
|
|
18032
|
+
value: number;
|
|
17970
18033
|
/**
|
|
17971
18034
|
* integer id of this entry
|
|
17972
18035
|
*/
|
|
@@ -18554,10 +18617,13 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
18554
18617
|
*/
|
|
18555
18618
|
direction: "x" | "y" | "z";
|
|
18556
18619
|
/**
|
|
18557
|
-
* Gap distances between stack components as
|
|
18620
|
+
* Gap distances between stack components as array of objects with id and value
|
|
18558
18621
|
*/
|
|
18559
18622
|
gaps?: {
|
|
18560
|
-
|
|
18623
|
+
/**
|
|
18624
|
+
* value of this entry
|
|
18625
|
+
*/
|
|
18626
|
+
value: number;
|
|
18561
18627
|
/**
|
|
18562
18628
|
* integer id of this entry
|
|
18563
18629
|
*/
|
|
@@ -19134,10 +19200,13 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
19134
19200
|
*/
|
|
19135
19201
|
direction: "x" | "y" | "z";
|
|
19136
19202
|
/**
|
|
19137
|
-
* Gap distances between stack components as
|
|
19203
|
+
* Gap distances between stack components as array of objects with id and value
|
|
19138
19204
|
*/
|
|
19139
19205
|
gaps?: {
|
|
19140
|
-
|
|
19206
|
+
/**
|
|
19207
|
+
* value of this entry
|
|
19208
|
+
*/
|
|
19209
|
+
value: number;
|
|
19141
19210
|
/**
|
|
19142
19211
|
* integer id of this entry
|
|
19143
19212
|
*/
|
|
@@ -19725,10 +19794,13 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
19725
19794
|
*/
|
|
19726
19795
|
direction: "x" | "y" | "z";
|
|
19727
19796
|
/**
|
|
19728
|
-
* Gap distances between stack components as
|
|
19797
|
+
* Gap distances between stack components as array of objects with id and value
|
|
19729
19798
|
*/
|
|
19730
19799
|
gaps?: {
|
|
19731
|
-
|
|
19800
|
+
/**
|
|
19801
|
+
* value of this entry
|
|
19802
|
+
*/
|
|
19803
|
+
value: number;
|
|
19732
19804
|
/**
|
|
19733
19805
|
* integer id of this entry
|
|
19734
19806
|
*/
|
|
@@ -20013,10 +20085,13 @@ export interface GrainBoundaryPlanarConfigurationSchema {
|
|
|
20013
20085
|
*/
|
|
20014
20086
|
xy_shift?: [number, number];
|
|
20015
20087
|
/**
|
|
20016
|
-
* Gap distances between stack components as
|
|
20088
|
+
* Gap distances between stack components as array of objects with id and value
|
|
20017
20089
|
*/
|
|
20018
20090
|
gaps?: {
|
|
20019
|
-
|
|
20091
|
+
/**
|
|
20092
|
+
* value of this entry
|
|
20093
|
+
*/
|
|
20094
|
+
value: number;
|
|
20020
20095
|
/**
|
|
20021
20096
|
* integer id of this entry
|
|
20022
20097
|
*/
|
|
@@ -20603,10 +20678,13 @@ export interface IslandDefectConfigurationSchema {
|
|
|
20603
20678
|
*/
|
|
20604
20679
|
direction: "x" | "y" | "z";
|
|
20605
20680
|
/**
|
|
20606
|
-
* Gap distances between stack components as
|
|
20681
|
+
* Gap distances between stack components as array of objects with id and value
|
|
20607
20682
|
*/
|
|
20608
20683
|
gaps?: {
|
|
20609
|
-
|
|
20684
|
+
/**
|
|
20685
|
+
* value of this entry
|
|
20686
|
+
*/
|
|
20687
|
+
value: number;
|
|
20610
20688
|
/**
|
|
20611
20689
|
* integer id of this entry
|
|
20612
20690
|
*/
|
|
@@ -21189,10 +21267,13 @@ export interface IslandDefectConfigurationSchema {
|
|
|
21189
21267
|
*/
|
|
21190
21268
|
direction: "x" | "y" | "z";
|
|
21191
21269
|
/**
|
|
21192
|
-
* Gap distances between stack components as
|
|
21270
|
+
* Gap distances between stack components as array of objects with id and value
|
|
21193
21271
|
*/
|
|
21194
21272
|
gaps?: {
|
|
21195
|
-
|
|
21273
|
+
/**
|
|
21274
|
+
* value of this entry
|
|
21275
|
+
*/
|
|
21276
|
+
value: number;
|
|
21196
21277
|
/**
|
|
21197
21278
|
* integer id of this entry
|
|
21198
21279
|
*/
|
|
@@ -21757,10 +21838,13 @@ export interface IslandDefectConfigurationSchema {
|
|
|
21757
21838
|
*/
|
|
21758
21839
|
direction: "x" | "y" | "z";
|
|
21759
21840
|
/**
|
|
21760
|
-
* Gap distances between stack components as
|
|
21841
|
+
* Gap distances between stack components as array of objects with id and value
|
|
21761
21842
|
*/
|
|
21762
21843
|
gaps?: {
|
|
21763
|
-
|
|
21844
|
+
/**
|
|
21845
|
+
* value of this entry
|
|
21846
|
+
*/
|
|
21847
|
+
value: number;
|
|
21764
21848
|
/**
|
|
21765
21849
|
* integer id of this entry
|
|
21766
21850
|
*/
|
|
@@ -22347,10 +22431,13 @@ export interface TerraceDefectConfigurationSchema {
|
|
|
22347
22431
|
*/
|
|
22348
22432
|
direction: "x" | "y" | "z";
|
|
22349
22433
|
/**
|
|
22350
|
-
* Gap distances between stack components as
|
|
22434
|
+
* Gap distances between stack components as array of objects with id and value
|
|
22351
22435
|
*/
|
|
22352
22436
|
gaps?: {
|
|
22353
|
-
|
|
22437
|
+
/**
|
|
22438
|
+
* value of this entry
|
|
22439
|
+
*/
|
|
22440
|
+
value: number;
|
|
22354
22441
|
/**
|
|
22355
22442
|
* integer id of this entry
|
|
22356
22443
|
*/
|
|
@@ -22933,10 +23020,13 @@ export interface TerraceDefectConfigurationSchema {
|
|
|
22933
23020
|
*/
|
|
22934
23021
|
direction: "x" | "y" | "z";
|
|
22935
23022
|
/**
|
|
22936
|
-
* Gap distances between stack components as
|
|
23023
|
+
* Gap distances between stack components as array of objects with id and value
|
|
22937
23024
|
*/
|
|
22938
23025
|
gaps?: {
|
|
22939
|
-
|
|
23026
|
+
/**
|
|
23027
|
+
* value of this entry
|
|
23028
|
+
*/
|
|
23029
|
+
value: number;
|
|
22940
23030
|
/**
|
|
22941
23031
|
* integer id of this entry
|
|
22942
23032
|
*/
|
|
@@ -23508,10 +23598,13 @@ export interface TerraceDefectConfigurationSchema {
|
|
|
23508
23598
|
*/
|
|
23509
23599
|
direction: "x" | "y" | "z";
|
|
23510
23600
|
/**
|
|
23511
|
-
* Gap distances between stack components as
|
|
23601
|
+
* Gap distances between stack components as array of objects with id and value
|
|
23512
23602
|
*/
|
|
23513
23603
|
gaps?: {
|
|
23514
|
-
|
|
23604
|
+
/**
|
|
23605
|
+
* value of this entry
|
|
23606
|
+
*/
|
|
23607
|
+
value: number;
|
|
23515
23608
|
/**
|
|
23516
23609
|
* integer id of this entry
|
|
23517
23610
|
*/
|
|
@@ -26018,10 +26111,13 @@ export interface NanoribbonConfigurationSchema {
|
|
|
26018
26111
|
*/
|
|
26019
26112
|
direction: "x" | "y" | "z";
|
|
26020
26113
|
/**
|
|
26021
|
-
* Gap distances between stack components as
|
|
26114
|
+
* Gap distances between stack components as array of objects with id and value
|
|
26022
26115
|
*/
|
|
26023
26116
|
gaps?: {
|
|
26024
|
-
|
|
26117
|
+
/**
|
|
26118
|
+
* value of this entry
|
|
26119
|
+
*/
|
|
26120
|
+
value: number;
|
|
26025
26121
|
/**
|
|
26026
26122
|
* integer id of this entry
|
|
26027
26123
|
*/
|
|
@@ -26303,10 +26399,13 @@ export interface NanoribbonConfigurationSchema {
|
|
|
26303
26399
|
*/
|
|
26304
26400
|
direction: "x" | "y" | "z";
|
|
26305
26401
|
/**
|
|
26306
|
-
* Gap distances between stack components as
|
|
26402
|
+
* Gap distances between stack components as array of objects with id and value
|
|
26307
26403
|
*/
|
|
26308
26404
|
gaps?: {
|
|
26309
|
-
|
|
26405
|
+
/**
|
|
26406
|
+
* value of this entry
|
|
26407
|
+
*/
|
|
26408
|
+
value: number;
|
|
26310
26409
|
/**
|
|
26311
26410
|
* integer id of this entry
|
|
26312
26411
|
*/
|
|
@@ -26904,10 +27003,13 @@ export interface NanoTapeConfigurationSchema {
|
|
|
26904
27003
|
*/
|
|
26905
27004
|
direction: "x" | "y" | "z";
|
|
26906
27005
|
/**
|
|
26907
|
-
* Gap distances between stack components as
|
|
27006
|
+
* Gap distances between stack components as array of objects with id and value
|
|
26908
27007
|
*/
|
|
26909
27008
|
gaps?: {
|
|
26910
|
-
|
|
27009
|
+
/**
|
|
27010
|
+
* value of this entry
|
|
27011
|
+
*/
|
|
27012
|
+
value: number;
|
|
26911
27013
|
/**
|
|
26912
27014
|
* integer id of this entry
|
|
26913
27015
|
*/
|
|
@@ -27488,10 +27590,13 @@ export interface SlabConfigurationSchema {
|
|
|
27488
27590
|
*/
|
|
27489
27591
|
direction: "x" | "y" | "z";
|
|
27490
27592
|
/**
|
|
27491
|
-
* Gap distances between stack components as
|
|
27593
|
+
* Gap distances between stack components as array of objects with id and value
|
|
27492
27594
|
*/
|
|
27493
27595
|
gaps?: {
|
|
27494
|
-
|
|
27596
|
+
/**
|
|
27597
|
+
* value of this entry
|
|
27598
|
+
*/
|
|
27599
|
+
value: number;
|
|
27495
27600
|
/**
|
|
27496
27601
|
* integer id of this entry
|
|
27497
27602
|
*/
|
|
@@ -28084,10 +28189,13 @@ export interface SlabStrainedSupercellConfigurationSchema {
|
|
|
28084
28189
|
*/
|
|
28085
28190
|
direction: "x" | "y" | "z";
|
|
28086
28191
|
/**
|
|
28087
|
-
* Gap distances between stack components as
|
|
28192
|
+
* Gap distances between stack components as array of objects with id and value
|
|
28088
28193
|
*/
|
|
28089
28194
|
gaps?: {
|
|
28090
|
-
|
|
28195
|
+
/**
|
|
28196
|
+
* value of this entry
|
|
28197
|
+
*/
|
|
28198
|
+
value: number;
|
|
28091
28199
|
/**
|
|
28092
28200
|
* integer id of this entry
|
|
28093
28201
|
*/
|
|
@@ -34585,10 +34693,13 @@ export interface SlabStackConfigurationSchema {
|
|
|
34585
34693
|
*/
|
|
34586
34694
|
direction: "x" | "y" | "z";
|
|
34587
34695
|
/**
|
|
34588
|
-
* Gap distances between stack components as
|
|
34696
|
+
* Gap distances between stack components as array of objects with id and value
|
|
34589
34697
|
*/
|
|
34590
34698
|
gaps?: {
|
|
34591
|
-
|
|
34699
|
+
/**
|
|
34700
|
+
* value of this entry
|
|
34701
|
+
*/
|
|
34702
|
+
value: number;
|
|
34592
34703
|
/**
|
|
34593
34704
|
* integer id of this entry
|
|
34594
34705
|
*/
|
|
@@ -34871,10 +34982,13 @@ export interface SlabStackConfigurationSchema {
|
|
|
34871
34982
|
*/
|
|
34872
34983
|
direction: "x" | "y" | "z";
|
|
34873
34984
|
/**
|
|
34874
|
-
* Gap distances between stack components as
|
|
34985
|
+
* Gap distances between stack components as array of objects with id and value
|
|
34875
34986
|
*/
|
|
34876
34987
|
gaps?: {
|
|
34877
|
-
|
|
34988
|
+
/**
|
|
34989
|
+
* value of this entry
|
|
34990
|
+
*/
|
|
34991
|
+
value: number;
|
|
34878
34992
|
/**
|
|
34879
34993
|
* integer id of this entry
|
|
34880
34994
|
*/
|
|
@@ -34908,10 +35022,13 @@ export interface StackSchema {
|
|
|
34908
35022
|
*/
|
|
34909
35023
|
direction: "x" | "y" | "z";
|
|
34910
35024
|
/**
|
|
34911
|
-
* Gap distances between stack components as
|
|
35025
|
+
* Gap distances between stack components as array of objects with id and value
|
|
34912
35026
|
*/
|
|
34913
35027
|
gaps?: {
|
|
34914
|
-
|
|
35028
|
+
/**
|
|
35029
|
+
* value of this entry
|
|
35030
|
+
*/
|
|
35031
|
+
value: number;
|
|
34915
35032
|
/**
|
|
34916
35033
|
* integer id of this entry
|
|
34917
35034
|
*/
|
package/package.json
CHANGED
|
@@ -63,6 +63,8 @@ materials_category:
|
|
|
63
63
|
- nanotape
|
|
64
64
|
- slab
|
|
65
65
|
- slab_strained_supercell
|
|
66
|
+
zero-dimensional:
|
|
67
|
+
- nanoparticle
|
|
66
68
|
|
|
67
69
|
compound_pristine_structures:
|
|
68
70
|
two-dimensional:
|
|
@@ -81,6 +83,7 @@ materials_category:
|
|
|
81
83
|
- interstitial
|
|
82
84
|
- substitutional
|
|
83
85
|
- vacancy
|
|
86
|
+
|
|
84
87
|
|
|
85
88
|
processed_structures:
|
|
86
89
|
two-dimensional:
|
|
@@ -12,18 +12,17 @@
|
|
|
12
12
|
"$ref": "../../../../core/primitive/axis_3d_names_enum.json"
|
|
13
13
|
},
|
|
14
14
|
"gaps": {
|
|
15
|
-
"description": "Gap distances between stack components as
|
|
15
|
+
"description": "Gap distances between stack components as array of objects with id and value",
|
|
16
16
|
"type": "array",
|
|
17
17
|
"items": {
|
|
18
18
|
"allOf": [
|
|
19
19
|
{
|
|
20
|
-
"$ref": "../../../../core/primitive/
|
|
20
|
+
"$ref": "../../../../core/primitive/object_with_id_and_value.json"
|
|
21
21
|
}
|
|
22
22
|
],
|
|
23
23
|
"properties": {
|
|
24
24
|
"value": {
|
|
25
|
-
"type": "number"
|
|
26
|
-
"minimum": 0
|
|
25
|
+
"type": "number"
|
|
27
26
|
}
|
|
28
27
|
}
|
|
29
28
|
}
|