@mat3ra/esse 2025.5.17-0 → 2025.5.17-2

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 (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/example/materials_category/defects/zero_dimensional/complex/pair/configuration.json ADDED
@@ -0,0 +1,406 @@
1
+ {
2
+ "point_defect_configuration_1": {
3
+ "type": "vacancy",
4
+ "coordinate": [
5
+ 0.25,
6
+ 0.25,
7
+ 0.25
8
+ ],
9
+ "use_cartesian_coordinates": false,
10
+ "placement_method": "coordinate",
11
+ "host": {
12
+ "_id": "LCthJ6E2QabYCZqf3",
13
+ "basis": {
14
+ "coordinates": [
15
+ {
16
+ "id": 1,
17
+ "value": [
18
+ 0,
19
+ 0,
20
+ 0
21
+ ]
22
+ },
23
+ {
24
+ "id": 2,
25
+ "value": [
26
+ 0.25,
27
+ 0.25,
28
+ 0.25
29
+ ]
30
+ }
31
+ ],
32
+ "elements": [
33
+ {
34
+ "id": 1,
35
+ "value": "Si"
36
+ },
37
+ {
38
+ "id": 2,
39
+ "value": "Si"
40
+ }
41
+ ],
42
+ "name": "basis",
43
+ "units": "crystal"
44
+ },
45
+ "createdAt": "2016-04-03T05:25:37.430Z",
46
+ "creator": {
47
+ "_id": "HtxACY2wX4b2hS8Rv",
48
+ "cls": "User",
49
+ "slug": "exadmin"
50
+ },
51
+ "derivedProperties": [
52
+ {
53
+ "name": "volume",
54
+ "units": "angstrom^3",
55
+ "value": 131.1
56
+ },
57
+ {
58
+ "name": "density",
59
+ "units": "g/cm^3",
60
+ "value": 2.33
61
+ },
62
+ {
63
+ "name": "symmetry",
64
+ "spaceGroupSymbol": "Fd-3m",
65
+ "tolerance": {
66
+ "units": "angstrom",
67
+ "value": 0.3
68
+ }
69
+ },
70
+ {
71
+ "degree": 10,
72
+ "name": "p-norm",
73
+ "value": 0.71
74
+ },
75
+ {
76
+ "element": "Si",
77
+ "name": "elemental_ratio",
78
+ "value": 0.71
79
+ },
80
+ {
81
+ "name": "inchi",
82
+ "value": ""
83
+ },
84
+ {
85
+ "name": "inchi_key",
86
+ "value": ""
87
+ }
88
+ ],
89
+ "exabyteId": "RKiswuxHKkF3uvLyA",
90
+ "formula": "Si",
91
+ "hash": "4ac3fa057e3530628eb1295c77110eaa",
92
+ "isDefault": false,
93
+ "isNonPeriodic": false,
94
+ "lattice": {
95
+ "name": "lattice",
96
+ "a": 5.14,
97
+ "alpha": 90,
98
+ "b": 5.14,
99
+ "beta": 90,
100
+ "c": 5.14,
101
+ "gamma": 90,
102
+ "type": "CUB",
103
+ "units": {
104
+ "angle": "degree",
105
+ "length": "angstrom"
106
+ },
107
+ "vectors": {
108
+ "a": [
109
+ 5,
110
+ 0.000121312,
111
+ 0.000131415
112
+ ],
113
+ "alat": 1,
114
+ "b": [
115
+ 0.000121312,
116
+ 5,
117
+ 0.000121314
118
+ ],
119
+ "c": [
120
+ 0.000121313,
121
+ 0.000121312,
122
+ 5
123
+ ],
124
+ "units": "angstrom"
125
+ }
126
+ },
127
+ "name": "Silicon FCC",
128
+ "owner": {
129
+ "_id": "HtxACY2wX4b2hS8Rv",
130
+ "cls": "Account",
131
+ "slug": "exabyte"
132
+ },
133
+ "scaledHash": "5bd4eb168e3530628eb1295d88221cbb",
134
+ "schemaVersion": "0.2.0",
135
+ "slug": "silicon-fcc",
136
+ "unitCellFormula": "Si2",
137
+ "updatedAt": "2016-04-04T17:58:42.867Z"
138
+ }
139
+ },
140
+ "point_defect_configuration_2": {
141
+ "type": "vacancy",
142
+ "coordinate": [
143
+ 0.25,
144
+ 0.25,
145
+ 0.25
146
+ ],
147
+ "use_cartesian_coordinates": false,
148
+ "placement_method": "coordinate",
149
+ "host": {
150
+ "_id": "LCthJ6E2QabYCZqf3",
151
+ "basis": {
152
+ "coordinates": [
153
+ {
154
+ "id": 1,
155
+ "value": [
156
+ 0,
157
+ 0,
158
+ 0
159
+ ]
160
+ },
161
+ {
162
+ "id": 2,
163
+ "value": [
164
+ 0.25,
165
+ 0.25,
166
+ 0.25
167
+ ]
168
+ }
169
+ ],
170
+ "elements": [
171
+ {
172
+ "id": 1,
173
+ "value": "Si"
174
+ },
175
+ {
176
+ "id": 2,
177
+ "value": "Si"
178
+ }
179
+ ],
180
+ "name": "basis",
181
+ "units": "crystal"
182
+ },
183
+ "createdAt": "2016-04-03T05:25:37.430Z",
184
+ "creator": {
185
+ "_id": "HtxACY2wX4b2hS8Rv",
186
+ "cls": "User",
187
+ "slug": "exadmin"
188
+ },
189
+ "derivedProperties": [
190
+ {
191
+ "name": "volume",
192
+ "units": "angstrom^3",
193
+ "value": 131.1
194
+ },
195
+ {
196
+ "name": "density",
197
+ "units": "g/cm^3",
198
+ "value": 2.33
199
+ },
200
+ {
201
+ "name": "symmetry",
202
+ "spaceGroupSymbol": "Fd-3m",
203
+ "tolerance": {
204
+ "units": "angstrom",
205
+ "value": 0.3
206
+ }
207
+ },
208
+ {
209
+ "degree": 10,
210
+ "name": "p-norm",
211
+ "value": 0.71
212
+ },
213
+ {
214
+ "element": "Si",
215
+ "name": "elemental_ratio",
216
+ "value": 0.71
217
+ },
218
+ {
219
+ "name": "inchi",
220
+ "value": ""
221
+ },
222
+ {
223
+ "name": "inchi_key",
224
+ "value": ""
225
+ }
226
+ ],
227
+ "exabyteId": "RKiswuxHKkF3uvLyA",
228
+ "formula": "Si",
229
+ "hash": "4ac3fa057e3530628eb1295c77110eaa",
230
+ "isDefault": false,
231
+ "isNonPeriodic": false,
232
+ "lattice": {
233
+ "name": "lattice",
234
+ "a": 5.14,
235
+ "alpha": 90,
236
+ "b": 5.14,
237
+ "beta": 90,
238
+ "c": 5.14,
239
+ "gamma": 90,
240
+ "type": "CUB",
241
+ "units": {
242
+ "angle": "degree",
243
+ "length": "angstrom"
244
+ },
245
+ "vectors": {
246
+ "a": [
247
+ 5,
248
+ 0.000121312,
249
+ 0.000131415
250
+ ],
251
+ "alat": 1,
252
+ "b": [
253
+ 0.000121312,
254
+ 5,
255
+ 0.000121314
256
+ ],
257
+ "c": [
258
+ 0.000121313,
259
+ 0.000121312,
260
+ 5
261
+ ],
262
+ "units": "angstrom"
263
+ }
264
+ },
265
+ "name": "Silicon FCC",
266
+ "owner": {
267
+ "_id": "HtxACY2wX4b2hS8Rv",
268
+ "cls": "Account",
269
+ "slug": "exabyte"
270
+ },
271
+ "scaledHash": "5bd4eb168e3530628eb1295d88221cbb",
272
+ "schemaVersion": "0.2.0",
273
+ "slug": "silicon-fcc",
274
+ "unitCellFormula": "Si2",
275
+ "updatedAt": "2016-04-04T17:58:42.867Z"
276
+ }
277
+ },
278
+ "host": {
279
+ "_id": "LCthJ6E2QabYCZqf3",
280
+ "basis": {
281
+ "coordinates": [
282
+ {
283
+ "id": 1,
284
+ "value": [
285
+ 0,
286
+ 0,
287
+ 0
288
+ ]
289
+ },
290
+ {
291
+ "id": 2,
292
+ "value": [
293
+ 0.25,
294
+ 0.25,
295
+ 0.25
296
+ ]
297
+ }
298
+ ],
299
+ "elements": [
300
+ {
301
+ "id": 1,
302
+ "value": "Si"
303
+ },
304
+ {
305
+ "id": 2,
306
+ "value": "Si"
307
+ }
308
+ ],
309
+ "name": "basis",
310
+ "units": "crystal"
311
+ },
312
+ "createdAt": "2016-04-03T05:25:37.430Z",
313
+ "creator": {
314
+ "_id": "HtxACY2wX4b2hS8Rv",
315
+ "cls": "User",
316
+ "slug": "exadmin"
317
+ },
318
+ "derivedProperties": [
319
+ {
320
+ "name": "volume",
321
+ "units": "angstrom^3",
322
+ "value": 131.1
323
+ },
324
+ {
325
+ "name": "density",
326
+ "units": "g/cm^3",
327
+ "value": 2.33
328
+ },
329
+ {
330
+ "name": "symmetry",
331
+ "spaceGroupSymbol": "Fd-3m",
332
+ "tolerance": {
333
+ "units": "angstrom",
334
+ "value": 0.3
335
+ }
336
+ },
337
+ {
338
+ "degree": 10,
339
+ "name": "p-norm",
340
+ "value": 0.71
341
+ },
342
+ {
343
+ "element": "Si",
344
+ "name": "elemental_ratio",
345
+ "value": 0.71
346
+ },
347
+ {
348
+ "name": "inchi",
349
+ "value": ""
350
+ },
351
+ {
352
+ "name": "inchi_key",
353
+ "value": ""
354
+ }
355
+ ],
356
+ "exabyteId": "RKiswuxHKkF3uvLyA",
357
+ "formula": "Si",
358
+ "hash": "4ac3fa057e3530628eb1295c77110eaa",
359
+ "isDefault": false,
360
+ "isNonPeriodic": false,
361
+ "lattice": {
362
+ "name": "lattice",
363
+ "a": 5.14,
364
+ "alpha": 90,
365
+ "b": 5.14,
366
+ "beta": 90,
367
+ "c": 5.14,
368
+ "gamma": 90,
369
+ "type": "CUB",
370
+ "units": {
371
+ "angle": "degree",
372
+ "length": "angstrom"
373
+ },
374
+ "vectors": {
375
+ "a": [
376
+ 5,
377
+ 0.000121312,
378
+ 0.000131415
379
+ ],
380
+ "alat": 1,
381
+ "b": [
382
+ 0.000121312,
383
+ 5,
384
+ 0.000121314
385
+ ],
386
+ "c": [
387
+ 0.000121313,
388
+ 0.000121312,
389
+ 5
390
+ ],
391
+ "units": "angstrom"
392
+ }
393
+ },
394
+ "name": "Silicon FCC",
395
+ "owner": {
396
+ "_id": "HtxACY2wX4b2hS8Rv",
397
+ "cls": "Account",
398
+ "slug": "exabyte"
399
+ },
400
+ "scaledHash": "5bd4eb168e3530628eb1295d88221cbb",
401
+ "schemaVersion": "0.2.0",
402
+ "slug": "silicon-fcc",
403
+ "unitCellFormula": "Si2",
404
+ "updatedAt": "2016-04-04T17:58:42.867Z"
405
+ }
406
+ }
package/dist/js/example/materials_category/defects/zero_dimensional/point/configuration.json CHANGED
@@ -6,7 +6,7 @@
6
6
  0.25
7
7
  ],
8
8
  "use_cartesian_coordinates": false,
9
- "placement_method": "crystal_site",
9
+ "placement_method": "coordinate",
10
10
  "host": {
11
11
  "_id": "LCthJ6E2QabYCZqf3",
12
12
  "basis": {
package/dist/js/example/materials_category/defects/zero_dimensional/point/interstitial/configuration.json ADDED
@@ -0,0 +1,139 @@
1
+ {
2
+ "type": "interstitial",
3
+ "isExternal": true,
4
+ "chemical_element": "P",
5
+ "coordinate": [
6
+ 0,
7
+ 0,
8
+ 0
9
+ ],
10
+ "use_cartesian_coordinates": false,
11
+ "host": {
12
+ "_id": "LCthJ6E2QabYCZqf3",
13
+ "basis": {
14
+ "coordinates": [
15
+ {
16
+ "id": 1,
17
+ "value": [
18
+ 0,
19
+ 0,
20
+ 0
21
+ ]
22
+ },
23
+ {
24
+ "id": 2,
25
+ "value": [
26
+ 0.25,
27
+ 0.25,
28
+ 0.25
29
+ ]
30
+ }
31
+ ],
32
+ "elements": [
33
+ {
34
+ "id": 1,
35
+ "value": "Si"
36
+ },
37
+ {
38
+ "id": 2,
39
+ "value": "Si"
40
+ }
41
+ ],
42
+ "name": "basis",
43
+ "units": "crystal"
44
+ },
45
+ "createdAt": "2016-04-03T05:25:37.430Z",
46
+ "creator": {
47
+ "_id": "HtxACY2wX4b2hS8Rv",
48
+ "cls": "User",
49
+ "slug": "exadmin"
50
+ },
51
+ "derivedProperties": [
52
+ {
53
+ "name": "volume",
54
+ "units": "angstrom^3",
55
+ "value": 131.1
56
+ },
57
+ {
58
+ "name": "density",
59
+ "units": "g/cm^3",
60
+ "value": 2.33
61
+ },
62
+ {
63
+ "name": "symmetry",
64
+ "spaceGroupSymbol": "Fd-3m",
65
+ "tolerance": {
66
+ "units": "angstrom",
67
+ "value": 0.3
68
+ }
69
+ },
70
+ {
71
+ "degree": 10,
72
+ "name": "p-norm",
73
+ "value": 0.71
74
+ },
75
+ {
76
+ "element": "Si",
77
+ "name": "elemental_ratio",
78
+ "value": 0.71
79
+ },
80
+ {
81
+ "name": "inchi",
82
+ "value": ""
83
+ },
84
+ {
85
+ "name": "inchi_key",
86
+ "value": ""
87
+ }
88
+ ],
89
+ "exabyteId": "RKiswuxHKkF3uvLyA",
90
+ "formula": "Si",
91
+ "hash": "4ac3fa057e3530628eb1295c77110eaa",
92
+ "isDefault": false,
93
+ "isNonPeriodic": false,
94
+ "lattice": {
95
+ "name": "lattice",
96
+ "a": 5.14,
97
+ "alpha": 90,
98
+ "b": 5.14,
99
+ "beta": 90,
100
+ "c": 5.14,
101
+ "gamma": 90,
102
+ "type": "CUB",
103
+ "units": {
104
+ "angle": "degree",
105
+ "length": "angstrom"
106
+ },
107
+ "vectors": {
108
+ "a": [
109
+ 5,
110
+ 0.000121312,
111
+ 0.000131415
112
+ ],
113
+ "alat": 1,
114
+ "b": [
115
+ 0.000121312,
116
+ 5,
117
+ 0.000121314
118
+ ],
119
+ "c": [
120
+ 0.000121313,
121
+ 0.000121312,
122
+ 5
123
+ ],
124
+ "units": "angstrom"
125
+ }
126
+ },
127
+ "name": "Silicon FCC",
128
+ "owner": {
129
+ "_id": "HtxACY2wX4b2hS8Rv",
130
+ "cls": "Account",
131
+ "slug": "exabyte"
132
+ },
133
+ "scaledHash": "5bd4eb168e3530628eb1295d88221cbb",
134
+ "schemaVersion": "0.2.0",
135
+ "slug": "silicon-fcc",
136
+ "unitCellFormula": "Si2",
137
+ "updatedAt": "2016-04-04T17:58:42.867Z"
138
+ }
139
+ }
package/dist/js/example/materials_category/defects/zero_dimensional/point/substitution/configuration.json ADDED
@@ -0,0 +1,138 @@
1
+ {
2
+ "type": "substitution",
3
+ "chemical_element": "C",
4
+ "coordinate": [
5
+ 0,
6
+ 0,
7
+ 0
8
+ ],
9
+ "use_cartesian_coordinates": false,
10
+ "host": {
11
+ "_id": "LCthJ6E2QabYCZqf3",
12
+ "basis": {
13
+ "coordinates": [
14
+ {
15
+ "id": 1,
16
+ "value": [
17
+ 0,
18
+ 0,
19
+ 0
20
+ ]
21
+ },
22
+ {
23
+ "id": 2,
24
+ "value": [
25
+ 0.25,
26
+ 0.25,
27
+ 0.25
28
+ ]
29
+ }
30
+ ],
31
+ "elements": [
32
+ {
33
+ "id": 1,
34
+ "value": "Si"
35
+ },
36
+ {
37
+ "id": 2,
38
+ "value": "Si"
39
+ }
40
+ ],
41
+ "name": "basis",
42
+ "units": "crystal"
43
+ },
44
+ "createdAt": "2016-04-03T05:25:37.430Z",
45
+ "creator": {
46
+ "_id": "HtxACY2wX4b2hS8Rv",
47
+ "cls": "User",
48
+ "slug": "exadmin"
49
+ },
50
+ "derivedProperties": [
51
+ {
52
+ "name": "volume",
53
+ "units": "angstrom^3",
54
+ "value": 131.1
55
+ },
56
+ {
57
+ "name": "density",
58
+ "units": "g/cm^3",
59
+ "value": 2.33
60
+ },
61
+ {
62
+ "name": "symmetry",
63
+ "spaceGroupSymbol": "Fd-3m",
64
+ "tolerance": {
65
+ "units": "angstrom",
66
+ "value": 0.3
67
+ }
68
+ },
69
+ {
70
+ "degree": 10,
71
+ "name": "p-norm",
72
+ "value": 0.71
73
+ },
74
+ {
75
+ "element": "Si",
76
+ "name": "elemental_ratio",
77
+ "value": 0.71
78
+ },
79
+ {
80
+ "name": "inchi",
81
+ "value": ""
82
+ },
83
+ {
84
+ "name": "inchi_key",
85
+ "value": ""
86
+ }
87
+ ],
88
+ "exabyteId": "RKiswuxHKkF3uvLyA",
89
+ "formula": "Si",
90
+ "hash": "4ac3fa057e3530628eb1295c77110eaa",
91
+ "isDefault": false,
92
+ "isNonPeriodic": false,
93
+ "lattice": {
94
+ "name": "lattice",
95
+ "a": 5.14,
96
+ "alpha": 90,
97
+ "b": 5.14,
98
+ "beta": 90,
99
+ "c": 5.14,
100
+ "gamma": 90,
101
+ "type": "CUB",
102
+ "units": {
103
+ "angle": "degree",
104
+ "length": "angstrom"
105
+ },
106
+ "vectors": {
107
+ "a": [
108
+ 5,
109
+ 0.000121312,
110
+ 0.000131415
111
+ ],
112
+ "alat": 1,
113
+ "b": [
114
+ 0.000121312,
115
+ 5,
116
+ 0.000121314
117
+ ],
118
+ "c": [
119
+ 0.000121313,
120
+ 0.000121312,
121
+ 5
122
+ ],
123
+ "units": "angstrom"
124
+ }
125
+ },
126
+ "name": "Silicon FCC",
127
+ "owner": {
128
+ "_id": "HtxACY2wX4b2hS8Rv",
129
+ "cls": "Account",
130
+ "slug": "exabyte"
131
+ },
132
+ "scaledHash": "5bd4eb168e3530628eb1295d88221cbb",
133
+ "schemaVersion": "0.2.0",
134
+ "slug": "silicon-fcc",
135
+ "unitCellFormula": "Si2",
136
+ "updatedAt": "2016-04-04T17:58:42.867Z"
137
+ }
138
+ }