elements
listlengths 1
9
| nsites
int32 1
444
| chemical_formula_anonymous
stringlengths 1
18
| chemical_formula_reduced
stringlengths 1
23
| chemical_formula_descriptive
stringlengths 1
34
| nelements
int8 1
9
| dimension_types
listlengths 3
3
| nperiodic_dimensions
int8 3
3
| lattice_vectors
listlengths 3
3
| immutable_id
stringlengths 5
12
| cartesian_site_positions
listlengths 1
444
| species
stringlengths 138
1.25k
| species_at_sites
listlengths 1
444
| last_modified
stringdate 2011-05-12 00:00:00
2025-04-16 00:00:00
| elements_ratios
listlengths 1
9
| stress_tensor
listlengths 3
3
| energy
float64 -2,420.44
2.57
| energy_corrected
float64 -2,475.88
2.57
⌀ | forces
listlengths 1
444
| functional
stringclasses 1
value | cross_compatibility
bool 1
class | space_group_it_number
int32 1
230
| id
stringlengths 13
21
| relaxation_step
int32 0
741
| relaxation_number
int32 0
2
|
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36627029,
7.55146797,
-0.04096135
],
[
-3.36627029,
7.55146797,
-0.04096135
],
[
0,
4.14497059,
6.1116349
]
] |
agm005266151
|
[
[
1.683135145,
3.775733985,
-0.020480675
],
[
-1.683135145,
5.84821928,
3.035336775
],
[
0.824779679599444,
3.925324547078546,
2.7076418081037943
],
[
0.8247796795994433,
13.250096687921452,
0.2662529418962055
],
[
-0.8247796795994433,
15.322581982921452,
3.322070391896206
],
[
-0.824779679599444,
5.997809842078546,
5.7634592581037944
],
[
-2.5122220347609043,
10.899594714927497,
3.9837642938867326
],
[
-2.512222034760905,
10.420797110072503,
5.101765356113268
],
[
2.512222034760905,
8.348311815072503,
2.0459479061132675
],
[
2.5122220347609043,
8.827109419927497,
0.9279468438867325
],
[
-1.874017784996602,
10.80951764639505,
1.7865437689337609
],
[
-1.8740177849966022,
6.365903588604949,
1.1873509810662395
],
[
1.8740177849966022,
8.438388883604949,
4.24316843106624
],
[
1.874017784996602,
12.88200294139505,
4.84236121893376
],
[
0.19660681431123272,
4.995700918965583,
2.490140602314752
],
[
0.19660681431123272,
12.179720316034416,
0.483754147685248
],
[
-0.19660681431123272,
14.252205611034416,
3.5395715976852484
],
[
-0.19660681431123272,
7.068186213965582,
5.545958052314752
],
[
-0.9217676493138371,
13.920002576236135,
5.821692214543098
],
[
-0.921767649313837,
7.400389248763866,
3.263837435456902
],
[
0.921767649313837,
5.327903953763866,
0.2080199854569025
],
[
0.9217676493138371,
11.847517281236135,
2.7658747645430974
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.11107929,
0,
0
],
[
0,
0.25862348,
0.15268629
],
[
0,
0.15268629,
-0.09803575
]
] | -146.935101 | -158.455101 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00122339,
0.00096383,
-0.00255152
],
[
-0.00122339,
-0.00096383,
0.00255152
],
[
0.00122339,
-0.00096383,
0.00255152
],
[
0.00122339,
0.00096383,
-0.00255152
],
[
-0.00115502,
-0.00401313,
0.01109268
],
[
-0.00115502,
0.00401313,
-0.01109268
],
[
0.00115502,
0.00401313,
-0.01109268
],
[
0.00115502,
-0.00401313,
0.01109268
],
[
0.00101468,
-0.00327298,
0.0015193
],
[
0.00101468,
0.00327298,
-0.0015193
],
[
-0.00101468,
0.00327298,
-0.0015193
],
[
-0.00101468,
-0.00327298,
0.0015193
],
[
-0.00351289,
-0.00100185,
0.00119662
],
[
-0.00351289,
0.00100185,
-0.00119662
],
[
0.00351289,
0.00100185,
-0.00119662
],
[
0.00351289,
-0.00100185,
0.00119662
],
[
0.00585428,
-0.00474784,
-0.00105085
],
[
0.00585428,
0.00474784,
0.00105085
],
[
-0.00585428,
0.00474784,
0.00105085
],
[
-0.00585428,
-0.00474784,
-0.00105085
]
] |
pbe
| true | 15 |
agm005266151-pbe-319
| 319 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.56214932,
7.1297648,
-0.00299005
],
[
-3.56214932,
7.1297648,
-0.00299005
],
[
0,
3.94896741,
6.10916163
]
] |
agm005266151
|
[
[
1.78107466,
3.5648824,
-0.001495025
],
[
-1.78107466,
5.539366105,
3.05308579
],
[
0.7947773522041951,
3.7427913820660064,
2.6918417814659574
],
[
0.7947773522041954,
12.491221922933995,
0.3567589335340427
],
[
-0.7947773522041954,
14.465705627933994,
3.4113397485340426
],
[
-0.7947773522041951,
5.717275087066007,
5.746422596465957
],
[
-2.7403908239863966,
10.330749943076023,
4.02020760548865
],
[
-2.740390823986397,
9.852230771923978,
5.137554739511349
],
[
2.740390823986397,
7.877747066923977,
2.082973924511349
],
[
2.7403908239863966,
8.356266238076024,
0.9656267904886505
],
[
-2.0385734221050207,
10.218620058527597,
1.8488149641297966
],
[
-2.0385734221050202,
6.015393246472402,
1.1997857508702034
],
[
2.0385734221050202,
7.989876951472402,
4.254366565870203
],
[
2.0385734221050207,
12.193103763527597,
4.903395779129796
],
[
0.10598299012927281,
4.766420879494836,
2.426117516282103
],
[
0.10598299012927281,
11.467592425505165,
0.6224831987178974
],
[
-0.10598299012927281,
13.442076130505164,
3.677064013717897
],
[
-0.10598299012927281,
6.740904584494836,
5.4806983312821025
],
[
-1.1017568974900327,
13.051667720565634,
5.909008677102374
],
[
-1.101756897490033,
7.131312994434367,
3.2487536678976263
],
[
1.101756897490033,
5.156829289434366,
0.1941728528976261
],
[
1.1017568974900327,
11.077184015565635,
2.854427862102374
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-3.04809599,
0,
0
],
[
0,
-1.74524456,
-1.3930455
],
[
0,
-1.39304555,
-0.29882485
]
] | -146.815885 | -158.335885 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.07911446,
0.08926589,
0.00988295
],
[
-0.07911446,
-0.08926589,
-0.00988295
],
[
0.07911446,
-0.08926589,
-0.00988295
],
[
0.07911446,
0.08926589,
0.00988295
],
[
0.03254537,
-0.03642082,
-0.06174685
],
[
0.03254537,
0.03642082,
0.06174685
],
[
-0.03254537,
0.03642082,
0.06174685
],
[
-0.03254537,
-0.03642082,
-0.06174685
],
[
-0.00159943,
0.03928399,
0.00140164
],
[
-0.00159943,
-0.03928399,
-0.00140164
],
[
0.00159943,
-0.03928399,
-0.00140164
],
[
0.00159943,
0.03928399,
0.00140164
],
[
0.10756042,
-0.07641401,
0.0227011
],
[
0.10756042,
0.07641401,
-0.0227011
],
[
-0.10756042,
0.07641401,
-0.0227011
],
[
-0.10756042,
-0.07641401,
0.0227011
],
[
0.06631949,
-0.0032959,
-0.01948169
],
[
0.06631949,
0.0032959,
0.01948169
],
[
-0.06631949,
0.0032959,
0.01948169
],
[
-0.06631949,
-0.0032959,
-0.01948169
]
] |
pbe
| true | 15 |
agm005266151-pbe-32
| 32 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.3663295,
7.55181117,
-0.04082758
],
[
-3.3663295,
7.55181117,
-0.04082758
],
[
0,
4.14526677,
6.11154954
]
] |
agm005266151
|
[
[
1.68316475,
3.775905585,
-0.02041379
],
[
-1.68316475,
5.84853897,
3.03536098
],
[
0.824770555180755,
3.925512457236974,
2.707550495987148
],
[
0.8247705551807551,
13.250743267763024,
0.26656911401285244
],
[
-0.8247705551807551,
15.323376652763026,
3.3223438840128527
],
[
-0.824770555180755,
5.998145842236974,
5.763325265987147
],
[
-2.5123027474107595,
10.900152205712123,
3.983890186596554
],
[
-2.5123027474107604,
10.421370289287875,
5.101778963403446
],
[
2.5123027474107604,
8.348736904287875,
2.046004193403446
],
[
2.5123027474107595,
8.827518820712124,
0.9281154165965539
],
[
-1.87409117708675,
10.810008985033122,
1.7867415822299817
],
[
-1.87409117708675,
6.366246739966878,
1.1873780277700186
],
[
1.87409117708675,
8.438880124966879,
4.243152797770018
],
[
1.87409117708675,
12.882642370033121,
4.842516352229982
],
[
0.19650800337751995,
4.99588584405598,
2.49009852605135
],
[
0.19650800337752017,
12.180369880944019,
0.4840210839486502
],
[
-0.19650800337752017,
14.253003265944018,
3.5397958539486507
],
[
-0.19650800337751995,
7.06851922905598,
5.54587329605135
],
[
-0.9216192152931504,
13.920756148870518,
5.821787402508829
],
[
-0.9216192152931499,
7.4007663461294815,
3.263881747491171
],
[
0.9216192152931499,
5.328132961129482,
0.2081069774911714
],
[
0.9216192152931504,
11.848122763870517,
2.766012632508829
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.08294695,
0,
0
],
[
0,
0.14990169,
0.13663753
],
[
0,
0.13663743,
0.05172292
]
] | -146.93511 | -158.45511 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00406025,
0.00251866,
0.0025437
],
[
-0.00406025,
-0.00251866,
-0.0025437
],
[
0.00406025,
-0.00251866,
-0.0025437
],
[
0.00406025,
0.00251866,
0.0025437
],
[
-0.00138174,
0.00074728,
0.00040792
],
[
-0.00138174,
-0.00074728,
-0.00040792
],
[
0.00138174,
-0.00074728,
-0.00040792
],
[
0.00138174,
0.00074728,
0.00040792
],
[
0.00230635,
-0.00375009,
-0.00149025
],
[
0.00230635,
0.00375009,
0.00149025
],
[
-0.00230635,
0.00375009,
0.00149025
],
[
-0.00230635,
-0.00375009,
-0.00149025
],
[
-0.00196477,
-0.0024506,
0.0007905
],
[
-0.00196477,
0.0024506,
-0.0007905
],
[
0.00196477,
0.0024506,
-0.0007905
],
[
0.00196477,
-0.0024506,
0.0007905
],
[
0.00460213,
-0.00268275,
-0.00087004
],
[
0.00460213,
0.00268275,
0.00087004
],
[
-0.00460213,
0.00268275,
0.00087004
],
[
-0.00460213,
-0.00268275,
-0.00087004
]
] |
pbe
| true | 15 |
agm005266151-pbe-320
| 320 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36637766,
7.55209028,
-0.0407188
],
[
-3.36637766,
7.55209028,
-0.0407188
],
[
0,
4.14550764,
6.11148012
]
] |
agm005266151
|
[
[
1.68318883,
3.77604514,
-0.0203594
],
[
-1.68318883,
5.84879896,
3.0353806600000004
],
[
0.8247631663117554,
3.9256652209496847,
2.707476158494371
],
[
0.824763166311755,
13.251269159050315,
0.26682630150562925
],
[
-0.824763166311755,
15.324022979050316,
3.3225663615056296
],
[
-0.8247631663117554,
5.998419040949685,
5.763216218494371
],
[
-2.5123683471639096,
10.90060554077826,
3.9839925525946955
],
[
-2.5123683471639096,
10.42183647922174,
5.101790027405305
],
[
2.5123683471639096,
8.34908265922174,
2.0460499674053043
],
[
2.5123683471639096,
8.827851720778261,
0.9282524925946957
],
[
-1.874150878063128,
10.810408414737473,
1.7869024502241437
],
[
-1.874150878063128,
6.366525965262524,
1.1874000097758566
],
[
1.874150878063128,
8.439279785262524,
4.2431400697758574
],
[
1.874150878063128,
12.883162234737473,
4.8426425102241435
],
[
0.1964276651681277,
4.996036245898714,
2.490064268674314
],
[
0.19642766516812715,
12.180898134101284,
0.484238191325686
],
[
-0.19642766516812715,
14.253651954101285,
3.539978251325686
],
[
-0.1964276651681277,
7.068790065898714,
5.545804328674315
],
[
-0.9214984858275472,
13.92136896658964,
5.821864809284041
],
[
-0.9214984858275472,
7.40107305341036,
3.26391777071596
],
[
0.9214984858275472,
5.32831923341036,
0.2081777107159596
],
[
0.9214984858275472,
11.84861514658964,
2.7661247492840406
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.08044579,
0,
0
],
[
0,
0.08888461,
0.12375713
],
[
0,
0.12375716,
0.1890803
]
] | -146.935114 | -158.455114 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00622817,
0.00358059,
0.00676752
],
[
-0.00622817,
-0.00358059,
-0.00676752
],
[
0.00622817,
-0.00358059,
-0.00676752
],
[
0.00622817,
0.00358059,
0.00676752
],
[
-0.00154217,
0.00456529,
-0.00828781
],
[
-0.00154217,
-0.00456529,
0.00828781
],
[
0.00154217,
-0.00456529,
0.00828781
],
[
0.00154217,
0.00456529,
-0.00828781
],
[
0.00342774,
-0.00427693,
-0.00418993
],
[
0.00342774,
0.00427693,
0.00418993
],
[
-0.00342774,
0.00427693,
0.00418993
],
[
-0.00342774,
-0.00427693,
-0.00418993
],
[
-0.00152191,
-0.00377314,
0.00001596
],
[
-0.00152191,
0.00377314,
-0.00001596
],
[
0.00152191,
0.00377314,
-0.00001596
],
[
0.00152191,
-0.00377314,
0.00001596
],
[
0.00445064,
-0.00050478,
-0.00053426
],
[
0.00445064,
0.00050478,
0.00053426
],
[
-0.00445064,
0.00050478,
0.00053426
],
[
-0.00445064,
-0.00050478,
-0.00053426
]
] |
pbe
| true | 15 |
agm005266151-pbe-321
| 321 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36643711,
7.55238606,
-0.0405675
],
[
-3.36643711,
7.55238606,
-0.0405675
],
[
0,
4.14579258,
6.11150559
]
] |
agm005266151
|
[
[
1.683218555,
3.77619303,
-0.02028375
],
[
-1.683218555,
5.84908932,
3.035469045
],
[
0.824721848717025,
3.925866244213272,
2.7075021796746253
],
[
0.8247218487170249,
13.251802165786728,
0.26711561532537487
],
[
-0.8247218487170249,
15.324698455786729,
3.322868410325375
],
[
-0.824721848717025,
5.998762534213272,
5.763254974674625
],
[
-2.5124497798902405,
10.901134316553387,
3.9841507295217076
],
[
-2.512449779890241,
10.422326673446612,
5.101972655478293
],
[
2.512449779890241,
8.349430383446613,
2.0462198604782924
],
[
2.5124497798902405,
8.828238026553386,
0.9283979345217078
],
[
-1.8741936707787565,
10.810818008894646,
1.787117067386138
],
[
-1.8741936707787565,
6.366850401105355,
1.187500727613862
],
[
1.8741936707787565,
8.439746691105356,
4.243253522613862
],
[
1.8741936707787565,
12.883714298894645,
4.842869862386139
],
[
0.19634441464735097,
4.996193832997565,
2.49009133880189
],
[
0.19634441464735097,
12.181474577002435,
0.4845264561981102
],
[
-0.19634441464735097,
14.254370867002436,
3.5402792511981103
],
[
-0.19634441464735097,
7.069090122997565,
5.54584413380189
],
[
-0.9213629667787013,
13.922042068097838,
5.822086031387928
],
[
-0.9213629667787014,
7.401418921902163,
3.264037353612072
],
[
0.9213629667787014,
5.328522631902162,
0.20828455861207198
],
[
0.9213629667787013,
11.849145778097839,
2.766333236387928
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.05114383,
0,
0
],
[
0,
-0.00314492,
0.09013678
],
[
0,
0.09013672,
0.16740324
]
] | -146.935119 | -158.455119 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00535105,
0.00221118,
0.00583527
],
[
-0.00535105,
-0.00221118,
-0.00583527
],
[
0.00535105,
-0.00221118,
-0.00583527
],
[
0.00535105,
0.00221118,
0.00583527
],
[
-0.00159468,
0.00283263,
-0.00442307
],
[
-0.00159468,
-0.00283263,
0.00442307
],
[
0.00159468,
-0.00283263,
0.00442307
],
[
0.00159468,
0.00283263,
-0.00442307
],
[
0.00234798,
-0.00265256,
-0.00400965
],
[
0.00234798,
0.00265256,
0.00400965
],
[
-0.00234798,
0.00265256,
0.00400965
],
[
-0.00234798,
-0.00265256,
-0.00400965
],
[
-0.0013022,
-0.00346092,
-0.000605
],
[
-0.0013022,
0.00346092,
0.000605
],
[
0.0013022,
0.00346092,
0.000605
],
[
0.0013022,
-0.00346092,
-0.000605
],
[
0.00298112,
0.00163137,
-0.000089
],
[
0.00298112,
-0.00163137,
0.000089
],
[
-0.00298112,
-0.00163137,
0.000089
],
[
-0.00298112,
0.00163137,
-0.000089
]
] |
pbe
| true | 15 |
agm005266151-pbe-322
| 322 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36656386,
7.55301672,
-0.0402449
],
[
-3.36656386,
7.55301672,
-0.0402449
],
[
0,
4.14640011,
6.11155991
]
] |
agm005266151
|
[
[
1.68328193,
3.77650836,
-0.02012245
],
[
-1.68328193,
5.849708415,
3.035657505
],
[
0.8246337913576905,
3.9262948752064255,
2.707557624920964
],
[
0.8246337913576904,
13.252938619793573,
0.2677325300790363
],
[
-0.8246337913576904,
15.326138674793572,
3.3235124850790365
],
[
-0.8246337913576905,
5.999494930206426,
5.7633375799209645
],
[
-2.512623322265683,
10.902261826963548,
3.9844881104386487
],
[
-2.512623322265683,
10.423371778036453,
5.102361954561352
],
[
2.512623322265683,
8.350171723036453,
2.0465819995613517
],
[
2.512623322265683,
8.829061771963547,
0.9287081554386485
],
[
-1.874284940566258,
10.811691353470856,
1.7875747584458626
],
[
-1.8742849405662578,
6.367542141529142,
1.1877153965541376
],
[
1.8742849405662578,
8.440742196529143,
4.243495351554138
],
[
1.874284940566258,
12.884891408470857,
4.843354713445863
],
[
0.19616691553983479,
4.996529867974589,
2.4901489598264517
],
[
0.1961669155398349,
12.18270362702541,
0.48514119517354826
],
[
-0.1961669155398349,
14.255903682025409,
3.5409211501735487
],
[
-0.19616691553983479,
7.069729922974589,
5.545928914826452
],
[
-0.9210740293075419,
13.923477373176404,
5.822557847845613
],
[
-0.9210740293075419,
7.4021562318235965,
3.264292217154388
],
[
0.9210740293075419,
5.3289561768235965,
0.20851226215438773
],
[
0.9210740293075419,
11.850277318176403,
2.7667778928456124
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.05300494,
0,
0
],
[
0,
-0.245733,
0.017036
],
[
0,
0.01703603,
0.06970209
]
] | -146.935124 | -158.455124 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00306165,
-0.00070956,
0.00369938
],
[
-0.00306165,
0.00070956,
-0.00369938
],
[
0.00306165,
0.00070956,
-0.00369938
],
[
0.00306165,
-0.00070956,
0.00369938
],
[
-0.00145239,
-0.0010242,
0.00431874
],
[
-0.00145239,
0.0010242,
-0.00431874
],
[
0.00145239,
0.0010242,
-0.00431874
],
[
0.00145239,
-0.0010242,
0.00431874
],
[
-0.00031085,
0.00137885,
-0.00303947
],
[
-0.00031085,
-0.00137885,
0.00303947
],
[
0.00031085,
-0.00137885,
0.00303947
],
[
0.00031085,
0.00137885,
-0.00303947
],
[
-0.00018564,
-0.00279805,
-0.00178155
],
[
-0.00018564,
0.00279805,
0.00178155
],
[
0.00018564,
0.00279805,
0.00178155
],
[
0.00018564,
-0.00279805,
-0.00178155
],
[
-0.00070636,
0.0063972,
0.00076733
],
[
-0.00070636,
-0.0063972,
-0.00076733
],
[
0.00070636,
-0.0063972,
-0.00076733
],
[
0.00070636,
0.0063972,
0.00076733
]
] |
pbe
| true | 15 |
agm005266151-pbe-323
| 323 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36654158,
7.55290586,
-0.0403016
],
[
-3.36654158,
7.55290586,
-0.0403016
],
[
0,
4.14629332,
6.11155036
]
] |
agm005266151
|
[
[
1.68327079,
3.77645293,
-0.0201508
],
[
-1.68327079,
5.84959959,
3.03562438
],
[
0.8246492738001993,
3.92621946814873,
2.707547916372015
],
[
0.8246492738001994,
13.252738911851269,
0.2676240636279852
],
[
-0.8246492738001994,
15.32588557185127,
3.3233992436279847
],
[
-0.8246492738001993,
5.99936612814873,
5.763323096372015
],
[
-2.5125927898478237,
10.902063613740873,
3.9844288114525956
],
[
-2.5125927898478233,
10.423188086259128,
5.102293528547404
],
[
2.5125927898478233,
8.350041426259128,
2.0465183485474037
],
[
2.5125927898478237,
8.828916953740874,
0.9286536314525964
],
[
-1.8742689006388673,
10.811537841843998,
1.7874943423730387
],
[
-1.8742689006388675,
6.367420538156,
1.187677637626961
],
[
1.8742689006388675,
8.440567198156,
4.24345281762696
],
[
1.8742689006388673,
12.884684501844,
4.843269522373038
],
[
0.1961981044287514,
4.9964707991355075,
2.490138835630115
],
[
0.1961981044287513,
12.182487580864494,
0.4850331443698848
],
[
-0.1961981044287513,
14.255634240864493,
3.540808324369885
],
[
-0.1961981044287514,
7.069617459135507,
5.545914015630115
],
[
-0.9211248281703281,
13.923225011722396,
5.822474886463773
],
[
-0.9211248281703278,
7.402026688277605,
3.2642474535362265
],
[
0.9211248281703278,
5.328880028277604,
0.2084722735362264
],
[
0.9211248281703281,
11.850078351722397,
2.7666997064637733
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.03544182,
0,
0
],
[
0,
-0.19452851,
0.03234183
],
[
0,
0.03234183,
0.0848618
]
] | -146.935124 | -158.455124 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00345707,
-0.00015142,
0.00408927
],
[
-0.00345707,
0.00015142,
-0.00408927
],
[
0.00345707,
0.00015142,
-0.00408927
],
[
0.00345707,
-0.00015142,
0.00408927
],
[
-0.00141965,
-0.00032699,
0.0027797
],
[
-0.00141965,
0.00032699,
-0.0027797
],
[
0.00141965,
0.00032699,
-0.0027797
],
[
0.00141965,
-0.00032699,
0.0027797
],
[
0.00029025,
0.00075905,
-0.00355828
],
[
0.00029025,
-0.00075905,
0.00355828
],
[
-0.00029025,
-0.00075905,
0.00355828
],
[
-0.00029025,
0.00075905,
-0.00355828
],
[
-0.00048141,
-0.00287518,
-0.00163249
],
[
-0.00048141,
0.00287518,
0.00163249
],
[
0.00048141,
0.00287518,
0.00163249
],
[
0.00048141,
-0.00287518,
-0.00163249
],
[
-0.00028041,
0.00585741,
0.00061231
],
[
-0.00028041,
-0.00585741,
-0.00061231
],
[
0.00028041,
-0.00585741,
-0.00061231
],
[
0.00028041,
0.00585741,
0.00061231
]
] |
pbe
| true | 15 |
agm005266151-pbe-324
| 324 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36655135,
7.55289048,
-0.04023701
],
[
-3.36655135,
7.55289048,
-0.04023701
],
[
0,
4.14633744,
6.11160591
]
] |
agm005266151
|
[
[
1.683275675,
3.77644524,
-0.020118505
],
[
-1.683275675,
5.84961396,
3.0356844499999998
],
[
0.8246058145755935,
3.9262313943483913,
2.7076157192026415
],
[
0.8246058145755932,
13.25271828565161,
0.26771321579735835
],
[
-0.8246058145755932,
15.32588700565161,
3.3235161707973586
],
[
-0.8246058145755935,
5.999400114348391,
5.763418674202642
],
[
-2.5126233444830954,
10.902079855050507,
3.9845512735336683
],
[
-2.5126233444830954,
10.423207264949493,
5.102383571466331
],
[
2.5126233444830954,
8.350038544949493,
2.0465806164663314
],
[
2.5126233444830954,
8.828911135050507,
0.9287483185336687
],
[
-1.8742749459114398,
10.811522070201471,
1.7875682369762929
],
[
-1.87427494591144,
6.36742760979853,
1.187760698023707
],
[
1.87427494591144,
8.44059632979853,
4.243563653023706
],
[
1.8742749459114398,
12.884690790201471,
4.843371191976293
],
[
0.19616780253704091,
4.9964310435700945,
2.4901610069521762
],
[
0.19616780253704125,
12.182518636429906,
0.4851679280478235
],
[
-0.19616780253704125,
14.255687356429906,
3.540970883047823
],
[
-0.19616780253704091,
7.0695997635700945,
5.545963961952176
],
[
-0.9210826588916781,
13.92329864099122,
5.822617595756894
],
[
-0.9210826588916782,
7.4019884790087795,
3.264317249243106
],
[
0.9210826588916782,
5.32881975900878,
0.2085142942431057
],
[
0.9210826588916781,
11.850129920991222,
2.7668146407568943
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.03094335,
0,
0
],
[
0,
-0.15005273,
-0.01739017
],
[
0,
-0.01739019,
0.07592323
]
] | -146.935127 | -158.455127 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00110358,
-0.00234242,
0.00193318
],
[
-0.00110358,
0.00234242,
-0.00193318
],
[
0.00110358,
0.00234242,
-0.00193318
],
[
0.00110358,
-0.00234242,
0.00193318
],
[
-0.00134059,
0.00039096,
0.00037323
],
[
-0.00134059,
-0.00039096,
-0.00037323
],
[
0.00134059,
-0.00039096,
-0.00037323
],
[
0.00134059,
0.00039096,
0.00037323
],
[
-0.00102113,
0.00152645,
-0.00124264
],
[
-0.00102113,
-0.00152645,
0.00124264
],
[
0.00102113,
-0.00152645,
0.00124264
],
[
0.00102113,
0.00152645,
-0.00124264
],
[
-0.00153412,
-0.00150405,
-0.00165459
],
[
-0.00153412,
0.00150405,
0.00165459
],
[
0.00153412,
0.00150405,
0.00165459
],
[
0.00153412,
-0.00150405,
-0.00165459
],
[
0.00037115,
0.00550804,
0.00075024
],
[
0.00037115,
-0.00550804,
-0.00075024
],
[
-0.00037115,
-0.00550804,
-0.00075024
],
[
-0.00037115,
0.00550804,
0.00075024
]
] |
pbe
| true | 15 |
agm005266151-pbe-325
| 325 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36657062,
7.55286013,
-0.0401096
],
[
-3.36657062,
7.55286013,
-0.0401096
],
[
0,
4.14642446,
6.11171549
]
] |
agm005266151
|
[
[
1.68328531,
3.776430065,
-0.0200548
],
[
-1.68328531,
5.849642295000001,
3.035802945
],
[
0.8245200411667366,
3.926254856903638,
2.707749547585026
],
[
0.8245200411667364,
13.252677633096363,
0.26788899741497385
],
[
-0.8245200411667364,
15.325889863096362,
3.323746742414974
],
[
-0.8245200411667366,
5.999467086903638,
5.763607292585026
],
[
-2.5126835119951165,
10.902112031144206,
3.9847929136319253
],
[
-2.512683511995117,
10.423244918855794,
5.102561121368074
],
[
2.512683511995117,
8.350032688855794,
2.046703376368075
],
[
2.5126835119951165,
8.828899801144207,
0.9289351686319254
],
[
-1.874286886148751,
10.811491216987243,
1.787714121140337
],
[
-1.8742868861487512,
6.367441273012756,
1.1879244238596631
],
[
1.8742868861487512,
8.440653503012756,
4.243782168859663
],
[
1.874286886148751,
12.884703446987244,
4.843571866140337
],
[
0.1961079231337548,
4.996352613771984,
2.4902046791364096
],
[
0.1961079231337548,
12.182579876228015,
0.48543386586359016
],
[
-0.1961079231337548,
14.255792106228014,
3.54129161086359
],
[
-0.1961079231337548,
7.069564843771985,
5.54606242413641
],
[
-0.9209994239889336,
13.923443789177263,
5.822899173524723
],
[
-0.9209994239889336,
7.401913160822737,
3.2644548614752766
],
[
0.9209994239889336,
5.328700930822737,
0.208597116475277
],
[
0.9209994239889336,
11.850231559177264,
2.767041428524723
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.0340833,
0,
0
],
[
0,
-0.06249639,
-0.1151829
],
[
0,
-0.11518292,
0.05147401
]
] | -146.93513 | -158.45513 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00367428,
-0.00670376,
-0.00279613
],
[
0.00367428,
0.00670376,
0.00279613
],
[
-0.00367428,
0.00670376,
0.00279613
],
[
-0.00367428,
-0.00670376,
-0.00279613
],
[
-0.00102267,
0.00191253,
-0.00461323
],
[
-0.00102267,
-0.00191253,
0.00461323
],
[
0.00102267,
-0.00191253,
0.00461323
],
[
0.00102267,
0.00191253,
-0.00461323
],
[
-0.00354692,
0.0032259,
0.00347583
],
[
-0.00354692,
-0.0032259,
-0.00347583
],
[
0.00354692,
-0.0032259,
-0.00347583
],
[
0.00354692,
0.0032259,
0.00347583
],
[
-0.00338811,
0.00125069,
-0.00197625
],
[
-0.00338811,
-0.00125069,
0.00197625
],
[
0.00338811,
-0.00125069,
0.00197625
],
[
0.00338811,
0.00125069,
-0.00197625
],
[
0.00120155,
0.00454963,
0.00088758
],
[
0.00120155,
-0.00454963,
-0.00088758
],
[
-0.00120155,
-0.00454963,
-0.00088758
],
[
-0.00120155,
0.00454963,
0.00088758
]
] |
pbe
| true | 15 |
agm005266151-pbe-326
| 326 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36657374,
7.55283609,
-0.04009229
],
[
-3.36657374,
7.55283609,
-0.04009229
],
[
0,
4.14642543,
6.11174769
]
] |
agm005266151
|
[
[
1.68328687,
3.776418045,
-0.020046145
],
[
-1.68328687,
5.84963076,
3.0358277
],
[
0.8245024911370528,
3.92622392152656,
2.707776195941685
],
[
0.8245024911370531,
13.252660973473438,
0.2679130690583143
],
[
-0.8245024911370531,
15.325873688473438,
3.3237869140583145
],
[
-0.8245024911370528,
5.999436636526561,
5.763650040941685
],
[
-2.5127046934604027,
10.902095601836157,
3.984828149933672
],
[
-2.5127046934604023,
10.423214723163841,
5.102608805066327
],
[
2.5127046934604023,
8.350002008163841,
2.0467349600663276
],
[
2.5127046934604027,
8.828882886836157,
0.9289543049336721
],
[
-1.8743008438238786,
10.811465502571043,
1.7877409805263156
],
[
-1.8743008438238786,
6.367419392428955,
1.1879482844736842
],
[
1.8743008438238786,
8.440632107428955,
4.243822129473684
],
[
1.8743008438238786,
12.884678217571043,
4.843614825526315
],
[
0.19607622342524178,
4.9963125224633815,
2.490199656308585
],
[
0.196076223425242,
12.182572372536617,
0.48548960869141516
],
[
-0.196076223425242,
14.255785087536617,
3.5413634536914147
],
[
-0.19607622342524178,
7.069525237463381,
5.546073501308585
],
[
-0.9209664098017187,
13.923462514699294,
5.822958714435972
],
[
-0.9209664098017183,
7.401847810300705,
3.264478240564028
],
[
0.9209664098017183,
5.328635095300705,
0.208604395564028
],
[
0.9209664098017187,
11.850249799699293,
2.7670848694359718
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.00267081,
0,
0
],
[
0,
-0.00744924,
-0.11178366
],
[
0,
-0.11178365,
0.06781135
]
] | -146.935132 | -158.455132 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00365309,
-0.00615642,
-0.00392624
],
[
0.00365309,
0.00615642,
0.00392624
],
[
-0.00365309,
0.00615642,
0.00392624
],
[
-0.00365309,
-0.00615642,
-0.00392624
],
[
-0.00100159,
0.00091759,
-0.00278031
],
[
-0.00100159,
-0.00091759,
0.00278031
],
[
0.00100159,
-0.00091759,
0.00278031
],
[
0.00100159,
0.00091759,
-0.00278031
],
[
-0.00349155,
0.00292148,
0.00340421
],
[
-0.00349155,
-0.00292148,
-0.00340421
],
[
0.00349155,
-0.00292148,
-0.00340421
],
[
0.00349155,
0.00292148,
0.00340421
],
[
-0.00373695,
0.00131125,
-0.00157361
],
[
-0.00373695,
-0.00131125,
0.00157361
],
[
0.00373695,
-0.00131125,
0.00157361
],
[
0.00373695,
0.00131125,
-0.00157361
],
[
0.0011819,
0.00418481,
0.00094619
],
[
0.0011819,
-0.00418481,
-0.00094619
],
[
-0.0011819,
-0.00418481,
-0.00094619
],
[
-0.0011819,
0.00418481,
0.00094619
]
] |
pbe
| true | 15 |
agm005266151-pbe-327
| 327 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.3665831,
7.55276396,
-0.04004039
],
[
-3.3665831,
7.55276396,
-0.04004039
],
[
0,
4.14642835,
6.11184428
]
] |
agm005266151
|
[
[
1.68329155,
3.77638198,
-0.020020195
],
[
-1.68329155,
5.849596155,
3.035901945
],
[
0.8244498745101579,
3.9261313448214703,
2.707856126742918
],
[
0.824449874510158,
13.252610750178528,
0.26798523325708173
],
[
-0.824449874510158,
15.325824925178528,
3.323907373257082
],
[
-0.8244498745101579,
5.99934551982147,
5.763778266742918
],
[
-2.512768305397585,
10.90204630921632,
3.9849338198382593
],
[
-2.512768305397585,
10.423124135783679,
5.10275182016174
],
[
2.512768305397585,
8.34990996078368,
2.0468296801617405
],
[
2.512768305397585,
8.82883213421632,
0.9290116798382596
],
[
-1.8743427843168297,
10.811388266438653,
1.7878213953624131
],
[
-1.87434278431683,
6.367353828561346,
1.1880199646375866
],
[
1.87434278431683,
8.440568003561346,
4.243942104637586
],
[
1.8743427843168297,
12.884602441438654,
4.843743535362413
],
[
0.195981123945146,
4.996192550815267,
2.4901845670556675
],
[
0.19598112394514633,
12.182549544184734,
0.48565679294433234
],
[
-0.19598112394514633,
14.255763719184735,
3.5415789329443323
],
[
-0.195981123945146,
7.069406725815266,
5.546106707055667
],
[
-0.9208672995317628,
13.923518768931363,
5.823137411950461
],
[
-0.920867299531763,
7.401651676068639,
3.2645482280495384
],
[
0.920867299531763,
5.328437501068638,
0.2086260880495387
],
[
0.9208672995317628,
11.850304593931362,
2.767215271950461
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.00769293,
0,
0
],
[
0,
0.04382742,
-0.10403816
],
[
0,
-0.10403812,
0.01387036
]
] | -146.935136 | -158.455136 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00350066,
-0.00425449,
-0.00690543
],
[
0.00350066,
0.00425449,
0.00690543
],
[
-0.00350066,
0.00425449,
0.00690543
],
[
-0.00350066,
-0.00425449,
-0.00690543
],
[
-0.00081726,
-0.00217075,
0.00307171
],
[
-0.00081726,
0.00217075,
-0.00307171
],
[
0.00081726,
0.00217075,
-0.00307171
],
[
0.00081726,
-0.00217075,
0.00307171
],
[
-0.0032414,
0.00181248,
0.00459362
],
[
-0.0032414,
-0.00181248,
-0.00459362
],
[
0.0032414,
-0.00181248,
-0.00459362
],
[
0.0032414,
0.00181248,
0.00459362
],
[
-0.00392564,
0.00104687,
-0.00099491
],
[
-0.00392564,
-0.00104687,
0.00099491
],
[
0.00392564,
-0.00104687,
0.00099491
],
[
0.00392564,
0.00104687,
-0.00099491
],
[
0.00245844,
0.00232936,
0.00086597
],
[
0.00245844,
-0.00232936,
-0.00086597
],
[
-0.00245844,
-0.00232936,
-0.00086597
],
[
-0.00245844,
0.00232936,
0.00086597
]
] |
pbe
| true | 15 |
agm005266151-pbe-328
| 328 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36660182,
7.55261972,
-0.03993657
],
[
-3.36660182,
7.55261972,
-0.03993657
],
[
0,
4.1464342,
6.11203748
]
] |
agm005266151
|
[
[
1.68330091,
3.77630986,
-0.019968285
],
[
-1.68330091,
5.84952696,
3.036050455
],
[
0.8243446403403993,
3.9259460140208575,
2.7080159408649274
],
[
0.8243446403403993,
13.252510525979142,
0.2681296591350722
],
[
-0.8243446403403993,
15.325727625979141,
3.3241483991350718
],
[
-0.8243446403403993,
5.999163114020858,
5.764034680864928
],
[
-2.512895530216562,
10.901947901135085,
3.9851451938362374
],
[
-2.5128955302165616,
10.422942838864916,
5.103037886163762
],
[
2.5128955302165616,
8.349725738864915,
2.047019146163762
],
[
2.512895530216562,
8.828730801135084,
0.9291264538362376
],
[
-1.8744266659154385,
10.81123405513707,
1.7879823774121948
],
[
-1.874426665915438,
6.3672224848629275,
1.1881632225878052
],
[
1.874426665915438,
8.440439584862927,
4.244181962587805
],
[
1.8744266659154385,
12.884451155137072,
4.844001117412194
],
[
0.19579085605741242,
4.995952471196871,
2.4901543973955214
],
[
0.1957908560574122,
12.182504068803128,
0.4859912026044788
],
[
-0.1957908560574122,
14.25572116880313,
3.5420099426044787
],
[
-0.19579085605741242,
7.06916957119687,
5.546173137395521
],
[
-0.9206691109618388,
13.92363107900797,
5.8234948610581645
],
[
-0.9206691109618388,
7.401259660992029,
3.2646882189418354
],
[
0.9206691109618388,
5.32804256099203,
0.20866947894183538
],
[
0.9206691109618388,
11.850413979007971,
2.767476121058164
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.07641927,
0,
0
],
[
0,
0.26443146,
-0.08836944
],
[
0,
-0.08836946,
0.01471265
]
] | -146.935136 | -158.455136 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00302824,
-0.00112606,
-0.01311828
],
[
0.00302824,
0.00112606,
0.01311828
],
[
-0.00302824,
0.00112606,
0.01311828
],
[
-0.00302824,
-0.00112606,
-0.01311828
],
[
-0.00032463,
-0.00847163,
0.01470849
],
[
-0.00032463,
0.00847163,
-0.01470849
],
[
0.00032463,
0.00847163,
-0.01470849
],
[
0.00032463,
-0.00847163,
0.01470849
],
[
-0.00249476,
-0.00033397,
0.00640405
],
[
-0.00249476,
0.00033397,
-0.00640405
],
[
0.00249476,
0.00033397,
-0.00640405
],
[
0.00249476,
-0.00033397,
0.00640405
],
[
-0.00426249,
0.00138504,
0.0004229
],
[
-0.00426249,
-0.00138504,
-0.0004229
],
[
0.00426249,
-0.00138504,
-0.0004229
],
[
0.00426249,
0.00138504,
0.0004229
],
[
0.00293545,
-0.00210281,
0.00060188
],
[
0.00293545,
0.00210281,
-0.00060188
],
[
-0.00293545,
0.00210281,
-0.00060188
],
[
-0.00293545,
-0.00210281,
0.00060188
]
] |
pbe
| true | 15 |
agm005266151-pbe-329
| 329 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.55611613,
7.13376608,
-0.00466443
],
[
-3.55611613,
7.13376608,
-0.00466443
],
[
0,
3.94974674,
6.10401474
]
] |
agm005266151
|
[
[
1.778058065,
3.56688304,
-0.002332215
],
[
-1.778058065,
5.54175641,
3.049675155
],
[
0.7925564382110368,
3.74372200960895,
2.690584036178382
],
[
0.792556438211037,
12.49868352039105,
0.352094473821618
],
[
-0.792556438211037,
14.47355689039105,
3.404101843821618
],
[
-0.7925564382110368,
5.718595379608951,
5.7425914061783825
],
[
-2.7357092215324808,
10.335184031220187,
4.015719444465531
],
[
-2.735709221532481,
9.856968238779814,
5.130973805534469
],
[
2.735709221532481,
7.882094868779814,
2.07896643553447
],
[
2.7357092215324808,
8.360310661220186,
0.9637120744655302
],
[
-2.034817259674518,
10.222794804291468,
1.8461829099548037
],
[
-2.0348172596745178,
6.019610725708532,
1.1964956000451965
],
[
2.0348172596745178,
7.994484095708531,
4.248502970045196
],
[
2.034817259674518,
12.197668174291469,
4.898190279954804
],
[
0.10824600576636068,
4.767681149073867,
2.424523570679291
],
[
0.10824600576636056,
11.474724380926133,
0.6181549393207096
],
[
-0.10824600576636056,
13.449597750926134,
3.67016230932071
],
[
-0.10824600576636068,
6.742554519073867,
5.47653094067929
],
[
-1.099057874088769,
13.059800454970595,
5.898724057117874
],
[
-1.099057874088769,
7.132351815029407,
3.247969192882126
],
[
1.099057874088769,
5.157478445029407,
0.19596182288212619
],
[
1.099057874088769,
11.084927084970595,
2.846716687117874
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-1.08493017,
0,
0
],
[
0,
1.89807271,
-2.87864195
],
[
0,
-2.87864193,
3.70022159
]
] | -146.817228 | -158.337228 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00123702,
0.0276577,
-0.00358812
],
[
0.00123702,
-0.0276577,
0.00358812
],
[
-0.00123702,
-0.0276577,
0.00358812
],
[
-0.00123702,
0.0276577,
-0.00358812
],
[
0.02373063,
0.02438362,
-0.19438633
],
[
0.02373063,
-0.02438362,
0.19438633
],
[
-0.02373063,
-0.02438362,
0.19438633
],
[
-0.02373063,
0.02438362,
-0.19438633
],
[
0.00827687,
0.02353172,
-0.01952733
],
[
0.00827687,
-0.02353172,
0.01952733
],
[
-0.00827687,
-0.02353172,
0.01952733
],
[
-0.00827687,
0.02353172,
-0.01952733
],
[
0.03363911,
0.01731918,
0.00791333
],
[
0.03363911,
-0.01731918,
-0.00791333
],
[
-0.03363911,
-0.01731918,
-0.00791333
],
[
-0.03363911,
0.01731918,
0.00791333
],
[
0.07547167,
-0.02536595,
-0.0154267
],
[
0.07547167,
0.02536595,
0.0154267
],
[
-0.07547167,
0.02536595,
0.0154267
],
[
-0.07547167,
-0.02536595,
-0.0154267
]
] |
pbe
| true | 15 |
agm005266151-pbe-33
| 33 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36659338,
7.55268474,
-0.03998337
],
[
-3.36659338,
7.55268474,
-0.03998337
],
[
0,
4.14643156,
6.11195039
]
] |
agm005266151
|
[
[
1.68329669,
3.77634237,
-0.019991685
],
[
-1.68329669,
5.84955815,
3.03598351
],
[
0.8243920626483988,
3.926029559513262,
2.7079438890786274
],
[
0.8243920626483985,
13.252555700486738,
0.2680645659213725
],
[
-0.8243920626483985,
15.325771480486736,
3.324039760921372
],
[
-0.8243920626483988,
5.999245339513262,
5.763919084078627
],
[
-2.5128381928846455,
10.90199225141197,
3.9850499383693494
],
[
-2.512838192884645,
10.42302456858803,
5.102908906630651
],
[
2.512838192884645,
8.34980878858803,
2.0469337116306505
],
[
2.5128381928846455,
8.82877647141197,
0.9290747433693495
],
[
-1.8743888394883264,
10.8113035680989,
1.7879098002468352
],
[
-1.8743888394883266,
6.367281691901102,
1.188098654753165
],
[
1.8743888394883266,
8.440497471901102,
4.244073849753165
],
[
1.8743888394883264,
12.8845193480989,
4.843884995246835
],
[
0.19587661733624717,
4.996060721907992,
2.4901679939779973
],
[
0.19587661733624717,
12.182524538092009,
0.4858404610220028
],
[
-0.19587661733624717,
14.255740318092009,
3.541815656022002
],
[
-0.19587661733624717,
7.069276501907992,
5.546143188977997
],
[
-0.920758441535533,
13.923580390567007,
5.823333703299761
],
[
-0.9207584415355328,
7.4014364294329935,
3.2646251417002383
],
[
0.9207584415355328,
5.328220649432994,
0.20864994670023837
],
[
0.920758441535533,
11.850364610567006,
2.767358508299761
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.0257439,
0,
0
],
[
0,
0.15752718,
-0.09259784
],
[
0,
-0.09259777,
0.00770588
]
] | -146.935138 | -158.455138 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00308875,
-0.00244818,
-0.01037046
],
[
0.00308875,
0.00244818,
0.01037046
],
[
-0.00308875,
0.00244818,
0.01037046
],
[
-0.00308875,
-0.00244818,
-0.01037046
],
[
-0.00052407,
-0.00568068,
0.0094821
],
[
-0.00052407,
0.00568068,
-0.0094821
],
[
0.00052407,
0.00568068,
-0.0094821
],
[
0.00052407,
-0.00568068,
0.0094821
],
[
-0.00287823,
0.00052697,
0.00580655
],
[
-0.00287823,
-0.00052697,
-0.00580655
],
[
0.00287823,
-0.00052697,
-0.00580655
],
[
0.00287823,
0.00052697,
0.00580655
],
[
-0.00400817,
0.00115345,
-0.00006113
],
[
-0.00400817,
-0.00115345,
0.00006113
],
[
0.00400817,
-0.00115345,
0.00006113
],
[
0.00400817,
0.00115345,
-0.00006113
],
[
0.00243153,
-0.00078381,
0.00064357
],
[
0.00243153,
0.00078381,
-0.00064357
],
[
-0.00243153,
0.00078381,
-0.00064357
],
[
-0.00243153,
-0.00078381,
0.00064357
]
] |
pbe
| true | 15 |
agm005266151-pbe-330
| 330 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.3665995,
7.5526837,
-0.03997868
],
[
-3.3665995,
7.5526837,
-0.03997868
],
[
0,
4.14643496,
6.11198302
]
] |
agm005266151
|
[
[
1.68329975,
3.77634185,
-0.01998934
],
[
-1.68329975,
5.84955933,
3.03600217
],
[
0.824378916571045,
3.9259925174486803,
2.7079402713668537
],
[
0.8243789165710451,
13.25259236255132,
0.2680938786331466
],
[
-0.8243789165710451,
15.325809842551319,
3.3240853886331463
],
[
-0.824378916571045,
5.9992099974486806,
5.763931781366853
],
[
-2.5128682460342997,
10.901988863487915,
3.985097028295857
],
[
-2.5128682460342997,
10.423030976512084,
5.102920141704144
],
[
2.5128682460342997,
8.349813496512084,
2.0469286317041435
],
[
2.5128682460342997,
8.828771383487915,
0.9291055182958563
],
[
-1.8744158467298548,
10.811310425024171,
1.7879357604935133
],
[
-1.874415846729855,
6.367274454975828,
1.1880983895064867
],
[
1.874415846729855,
8.440491934975828,
4.244089899506487
],
[
1.8744158467298548,
12.884527905024171,
4.843927270493514
],
[
0.19582519511246999,
4.996026886009221,
2.4901504882849457
],
[
0.19582519511246987,
12.182557993990779,
0.4858836617150545
],
[
-0.19582519511246987,
14.255775473990777,
3.5418751717150547
],
[
-0.19582519511246999,
7.069244366009221,
5.546141998284946
],
[
-0.92071022234213,
13.92364298763075,
5.8233804917104255
],
[
-0.9207102223421298,
7.40137685236925,
3.264636678289575
],
[
0.9207102223421298,
5.32815937236925,
0.20864516828957522
],
[
0.92071022234213,
11.85042550763075,
2.767388981710425
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.03459586,
0,
0
],
[
0,
0.1734969,
-0.0813759
],
[
0,
-0.08137587,
0.03925308
]
] | -146.935141 | -158.455141 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00190071,
-0.00090657,
-0.00889622
],
[
0.00190071,
0.00090657,
0.00889622
],
[
-0.00190071,
0.00090657,
0.00889622
],
[
-0.00190071,
-0.00090657,
-0.00889622
],
[
-0.00048863,
-0.00411171,
0.00556986
],
[
-0.00048863,
0.00411171,
-0.00556986
],
[
0.00048863,
0.00411171,
-0.00556986
],
[
0.00048863,
-0.00411171,
0.00556986
],
[
-0.00204826,
-0.00035634,
0.00486783
],
[
-0.00204826,
0.00035634,
-0.00486783
],
[
0.00204826,
0.00035634,
-0.00486783
],
[
0.00204826,
-0.00035634,
0.00486783
],
[
-0.00389544,
0.0001905,
0.00000724
],
[
-0.00389544,
-0.0001905,
-0.00000724
],
[
0.00389544,
-0.0001905,
-0.00000724
],
[
0.00389544,
0.0001905,
0.00000724
],
[
0.00342558,
-0.00069788,
0.0007612
],
[
0.00342558,
0.00069788,
-0.0007612
],
[
-0.00342558,
0.00069788,
-0.0007612
],
[
-0.00342558,
-0.00069788,
0.0007612
]
] |
pbe
| true | 15 |
agm005266151-pbe-331
| 331 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36661784,
7.55268056,
-0.03996459
],
[
-3.36661784,
7.55268056,
-0.03996459
],
[
0,
4.14644516,
6.11208089
]
] |
agm005266151
|
[
[
1.68330892,
3.77634028,
-0.019982295
],
[
-1.68330892,
5.84956286,
3.0360581499999997
],
[
0.8243394394562041,
3.9258813930562377,
2.707929536048113
],
[
0.824339439456204,
13.252702306943762,
0.2681817289518866
],
[
-0.824339439456204,
15.325924886943763,
3.3242221739518865
],
[
-0.8243394394562041,
5.999103973056238,
5.763969981048113
],
[
-2.5129583237781654,
10.901978678250131,
3.985238307696673
],
[
-2.512958323778166,
10.423050181749868,
5.1029538473033265
],
[
2.512958323778166,
8.349827601749869,
2.046913402303327
],
[
2.5129583237781654,
8.828756098250132,
0.9291978626966728
],
[
-1.8744969251658254,
10.811330887612725,
1.7880135389572995
],
[
-1.8744969251658254,
6.367252812387275,
1.1880977260427001
],
[
1.8744969251658254,
8.440475392387276,
4.2441381710426995
],
[
1.8744969251658254,
12.884553467612724,
4.844053983957299
],
[
0.19567095981539107,
4.9959252109324686,
2.4900978476768083
],
[
0.19567095981539095,
12.182658489067531,
0.48601341732319153
],
[
-0.19567095981539095,
14.25588106906753,
3.5420538623231907
],
[
-0.19567095981539107,
7.069147790932469,
5.546138292676808
],
[
-0.9205654908723986,
13.923830752480928,
5.823520865044589
],
[
-0.9205654908723984,
7.40119810751907,
3.2646712899554102
],
[
0.9205654908723984,
5.3279755275190706,
0.2086308449554104
],
[
0.9205654908723986,
11.850608172480928,
2.7674804200445897
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.06550948,
0,
0
],
[
0,
0.24454318,
-0.04326141
],
[
0,
-0.04326136,
0.14736601
]
] | -146.935146 | -158.455146 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00195464,
0.0031182,
-0.00463668
],
[
-0.00195464,
-0.0031182,
0.00463668
],
[
0.00195464,
-0.0031182,
0.00463668
],
[
0.00195464,
0.0031182,
-0.00463668
],
[
-0.00033385,
0.0005593,
-0.00630814
],
[
-0.00033385,
-0.0005593,
0.00630814
],
[
0.00033385,
-0.0005593,
0.00630814
],
[
0.00033385,
0.0005593,
-0.00630814
],
[
0.00079725,
-0.00312721,
0.00218018
],
[
0.00079725,
0.00312721,
-0.00218018
],
[
-0.00079725,
0.00312721,
-0.00218018
],
[
-0.00079725,
-0.00312721,
0.00218018
],
[
-0.00253944,
-0.00161688,
0.00089341
],
[
-0.00253944,
0.00161688,
-0.00089341
],
[
0.00253944,
0.00161688,
-0.00089341
],
[
0.00253944,
-0.00161688,
0.00089341
],
[
0.00379134,
-0.00268562,
0.00056925
],
[
0.00379134,
0.00268562,
-0.00056925
],
[
-0.00379134,
0.00268562,
-0.00056925
],
[
-0.00379134,
-0.00268562,
0.00056925
]
] |
pbe
| true | 15 |
agm005266151-pbe-332
| 332 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.3666307,
7.55275306,
-0.0399746
],
[
-3.3666307,
7.55275306,
-0.0399746
],
[
0,
4.14647713,
6.11213144
]
] |
agm005266151
|
[
[
1.68331535,
3.77637653,
-0.0199873
],
[
-1.68331535,
5.849615095,
3.03607842
],
[
0.8243239708475238,
3.9259037666986725,
2.707915405703648
],
[
0.8243239708475238,
13.252840918301327,
0.268201114296352
],
[
-0.8243239708475238,
15.326079483301328,
3.3242668342963517
],
[
-0.8243239708475238,
5.999142331698672,
5.763981125703648
],
[
-2.512986607720948,
10.902077602504974,
3.9852464474523006
],
[
-2.512986607720948,
10.423144212495025,
5.103001512547698
],
[
2.512986607720948,
8.349905647495024,
2.0469357925476985
],
[
2.512986607720948,
8.828839037504975,
0.9291807274523016
],
[
-1.874516441011407,
10.811423039488528,
1.7880326806416202
],
[
-1.8745164410114068,
6.367321645511472,
1.1880838393583795
],
[
1.8745164410114068,
8.440560210511471,
4.244149559358379
],
[
1.874516441011407,
12.884661604488528,
4.84409840064162
],
[
0.19562544974473306,
4.995939237487079,
2.4900959797777675
],
[
0.19562544974473317,
12.182805447512921,
0.48602054022223234
],
[
-0.19562544974473317,
14.25604401251292,
3.5420862602222325
],
[
-0.19562544974473306,
7.069177802487078,
5.546161699777768
],
[
-0.9205184405081681,
13.923985702073955,
5.823565034566232
],
[
-0.9205184405081681,
7.401236112926044,
3.264682925433768
],
[
0.9205184405081681,
5.327997547926045,
0.208617205433768
],
[
0.9205184405081681,
11.850747137073954,
2.7674993145662317
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.06362742,
0,
0
],
[
0,
0.21663969,
-0.01025563
],
[
0,
-0.01025561,
0.09520554
]
] | -146.935148 | -158.455148 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00258106,
0.00349958,
-0.00291524
],
[
-0.00258106,
-0.00349958,
0.00291524
],
[
0.00258106,
-0.00349958,
0.00291524
],
[
0.00258106,
0.00349958,
-0.00291524
],
[
-0.00041912,
-0.00045876,
-0.00364772
],
[
-0.00041912,
0.00045876,
0.00364772
],
[
0.00041912,
0.00045876,
0.00364772
],
[
0.00041912,
-0.00045876,
-0.00364772
],
[
0.00102874,
-0.00327027,
0.00112334
],
[
0.00102874,
0.00327027,
-0.00112334
],
[
-0.00102874,
0.00327027,
-0.00112334
],
[
-0.00102874,
-0.00327027,
0.00112334
],
[
-0.00256463,
-0.00210225,
0.00085045
],
[
-0.00256463,
0.00210225,
-0.00085045
],
[
0.00256463,
0.00210225,
-0.00085045
],
[
0.00256463,
-0.00210225,
0.00085045
],
[
0.00408852,
-0.00223891,
0.00067831
],
[
0.00408852,
0.00223891,
-0.00067831
],
[
-0.00408852,
0.00223891,
-0.00067831
],
[
-0.00408852,
-0.00223891,
0.00067831
]
] |
pbe
| true | 15 |
agm005266151-pbe-333
| 333 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36666926,
7.55297054,
-0.04000462
],
[
-3.36666926,
7.55297054,
-0.04000462
],
[
0,
4.14657304,
6.1122831
]
] |
agm005266151
|
[
[
1.68333463,
3.77648527,
-0.02000231
],
[
-1.68333463,
5.84977179,
3.03613924
],
[
0.8242775929380924,
3.925970888673441,
2.7078731409889683
],
[
0.8242775929380928,
13.253256711326559,
0.26825916901103175
],
[
-0.8242775929380928,
15.326543231326559,
3.324400719011032
],
[
-0.8242775929380924,
5.99925740867344,
5.764014690988969
],
[
-2.5130713781432603,
10.902374421920118,
3.9852707595156955
],
[
-2.5130713781432603,
10.423426218079879,
5.103144650484305
],
[
2.5130713781432603,
8.350139698079879,
2.0470031004843046
],
[
2.5130713781432603,
8.829087901920118,
0.9291292095156953
],
[
-1.8745749779784253,
10.811699770586976,
1.7880901217289813
],
[
-1.8745749779784253,
6.367527829413024,
1.1880421882710186
],
[
1.8745749779784253,
8.440814349413024,
4.244183738271019
],
[
1.8745749779784253,
12.884986290586976,
4.8442316717289815
],
[
0.19548891625108222,
4.995981346635631,
2.4900904441391725
],
[
0.19548891625108222,
12.183246253364368,
0.4860418658608272
],
[
-0.19548891625108222,
14.256532773364368,
3.5421834158608276
],
[
-0.19548891625108222,
7.069267866635631,
5.5462319941391724
],
[
-0.920377146963236,
13.92445076171225,
5.8236976878651765
],
[
-0.9203771469632364,
7.401349878287746,
3.2647177221348236
],
[
0.9203771469632364,
5.328063358287746,
0.20857617213482318
],
[
0.920377146963236,
11.851164241712251,
2.767556137865177
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.03943884,
0,
0
],
[
0,
0.13403982,
0.08884246
],
[
0,
0.08884251,
-0.0758023
]
] | -146.935153 | -158.455153 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00431278,
0.00349932,
0.00174287
],
[
-0.00431278,
-0.00349932,
-0.00174287
],
[
0.00431278,
-0.00349932,
-0.00174287
],
[
0.00431278,
0.00349932,
0.00174287
],
[
-0.00050848,
-0.00377874,
0.0044269
],
[
-0.00050848,
0.00377874,
-0.0044269
],
[
0.00050848,
0.00377874,
-0.0044269
],
[
0.00050848,
-0.00377874,
0.0044269
],
[
0.00212538,
-0.0033965,
-0.00158495
],
[
0.00212538,
0.0033965,
0.00158495
],
[
-0.00212538,
0.0033965,
0.00158495
],
[
-0.00212538,
-0.0033965,
-0.00158495
],
[
-0.00152435,
-0.00247478,
0.00023793
],
[
-0.00152435,
0.00247478,
-0.00023793
],
[
0.00152435,
0.00247478,
-0.00023793
],
[
0.00152435,
-0.00247478,
0.00023793
],
[
0.00344091,
-0.00231593,
0.00047977
],
[
0.00344091,
0.00231593,
-0.00047977
],
[
-0.00344091,
0.00231593,
-0.00047977
],
[
-0.00344091,
-0.00231593,
0.00047977
]
] |
pbe
| true | 15 |
agm005266151-pbe-334
| 334 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36668386,
7.55305289,
-0.04001598
],
[
-3.36668386,
7.55305289,
-0.04001598
],
[
0,
4.14660935,
6.11234052
]
] |
agm005266151
|
[
[
1.68334193,
3.776526445,
-0.02000799
],
[
-1.68334193,
5.84983112,
3.03616227
],
[
0.8242600247506557,
3.9259962733680593,
2.7078571614287528
],
[
0.8242600247506555,
13.25341418163194,
0.2682811385712468
],
[
-0.8242600247506555,
15.326718856631942,
3.324451398571247
],
[
-0.8242600247506557,
5.9993009483680595,
5.764027421428754
],
[
-2.51310348651312,
10.902486776282228,
3.985279942096232
],
[
-2.51310348651312,
10.423533028717772,
5.103198877903768
],
[
2.51310348651312,
8.350228353717773,
2.047028617903768
],
[
2.51310348651312,
8.829182101282228,
0.9291096820962318
],
[
-1.8745971463888136,
10.811804473856164,
1.7881118367838027
],
[
-1.8745971463888131,
6.367605981143836,
1.1880264632161974
],
[
1.8745971463888131,
8.440910656143837,
4.244196723216197
],
[
1.8745971463888136,
12.885109148856163,
4.844282096783803
],
[
0.19543721007918957,
4.995997255742697,
2.4900883118255996
],
[
0.19543721007918924,
12.183413199257304,
0.4860499881744
],
[
-0.19543721007918924,
14.256717874257303,
3.5422202481744
],
[
-0.19543721007918957,
7.069301930742697,
5.5462585718256
],
[
-0.9203236690051904,
13.924626772304658,
5.823747892316579
],
[
-0.9203236690051902,
7.401393032695343,
3.2647309276834218
],
[
0.9203236690051902,
5.328088357695343,
0.2085606676834218
],
[
0.9203236690051904,
11.851322097304656,
2.767577632316578
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.04117255,
0,
0
],
[
0,
0.10619672,
0.1249725
],
[
0,
0.12497249,
-0.13306751
]
] | -146.935153 | -158.455153 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00468154,
0.00370096,
0.00386044
],
[
-0.00468154,
-0.00370096,
-0.00386044
],
[
0.00468154,
-0.00370096,
-0.00386044
],
[
0.00468154,
0.00370096,
0.00386044
],
[
-0.00039716,
-0.00499105,
0.00769238
],
[
-0.00039716,
0.00499105,
-0.00769238
],
[
0.00039716,
0.00499105,
-0.00769238
],
[
0.00039716,
-0.00499105,
0.00769238
],
[
0.00274545,
-0.00350839,
-0.00316131
],
[
0.00274545,
0.00350839,
0.00316131
],
[
-0.00274545,
0.00350839,
0.00316131
],
[
-0.00274545,
-0.00350839,
-0.00316131
],
[
-0.00180739,
-0.00279821,
0.00005304
],
[
-0.00180739,
0.00279821,
-0.00005304
],
[
0.00180739,
0.00279821,
-0.00005304
],
[
0.00180739,
-0.00279821,
0.00005304
],
[
0.003837,
-0.00138021,
0.00075019
],
[
0.003837,
0.00138021,
-0.00075019
],
[
-0.003837,
0.00138021,
-0.00075019
],
[
-0.003837,
-0.00138021,
0.00075019
]
] |
pbe
| true | 15 |
agm005266151-pbe-335
| 335 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36670072,
7.5531484,
-0.04
],
[
-3.36670072,
7.5531484,
-0.04
],
[
0,
4.14667495,
6.11238369
]
] |
agm005266151
|
[
[
1.68335036,
3.7765742,
-0.02
],
[
-1.68335036,
5.849911675,
3.036191845
],
[
0.8242306538863273,
3.926051258266127,
2.7078584418301306
],
[
0.8242306538863269,
13.253583016733876,
0.2683334031698692
],
[
-0.8242306538863269,
15.326920491733874,
3.324525248169869
],
[
-0.8242306538863273,
5.999388733266127,
5.76405028683013
],
[
-2.5131362384093636,
10.90261729731628,
3.9853350268084364
],
[
-2.513136238409363,
10.423691927683723,
5.103240508191563
],
[
2.513136238409363,
8.350354452683723,
2.047048663191563
],
[
2.5131362384093636,
8.829279822316277,
0.9291431818084365
],
[
-1.8746105068817465,
10.81192491234464,
1.788152098021925
],
[
-1.8746105068817465,
6.367709362655361,
1.1880397469780748
],
[
1.8746105068817465,
8.441046837655362,
4.2442315919780755
],
[
1.8746105068817465,
12.885262387344639,
4.844343943021924
],
[
0.19538560094301272,
4.996025966800301,
2.4900946783949047
],
[
0.19538560094301305,
12.183608308199702,
0.4860971666050952
],
[
-0.19538560094301305,
14.256945783199702,
3.542289011605095
],
[
-0.19538560094301272,
7.0693634418003,
5.546286523394905
],
[
-0.9202649839161541,
13.924840594335691,
5.823821698959569
],
[
-0.9202649839161544,
7.401468630664311,
3.2647538360404296
],
[
0.9202649839161544,
5.328131155664311,
0.20856199104043027
],
[
0.9202649839161541,
11.85150311933569,
2.7676298539595696
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.02818686,
0,
0
],
[
0,
0.07708026,
0.11812156
],
[
0,
0.11812154,
-0.15839561
]
] | -146.935156 | -158.455156 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00413423,
0.00234198,
0.00485321
],
[
-0.00413423,
-0.00234198,
-0.00485321
],
[
0.00413423,
-0.00234198,
-0.00485321
],
[
0.00413423,
0.00234198,
0.00485321
],
[
-0.00046526,
-0.00355711,
0.00457036
],
[
-0.00046526,
0.00355711,
-0.00457036
],
[
0.00046526,
0.00355711,
-0.00457036
],
[
0.00046526,
-0.00355711,
0.00457036
],
[
0.00216711,
-0.00272367,
-0.00284459
],
[
0.00216711,
0.00272367,
0.00284459
],
[
-0.00216711,
0.00272367,
0.00284459
],
[
-0.00216711,
-0.00272367,
-0.00284459
],
[
-0.00166971,
-0.0028827,
-0.00022254
],
[
-0.00166971,
0.0028827,
0.00022254
],
[
0.00166971,
0.0028827,
0.00022254
],
[
0.00166971,
-0.0028827,
-0.00022254
],
[
0.00374641,
-0.00096766,
0.00070425
],
[
0.00374641,
0.00096766,
-0.00070425
],
[
-0.00374641,
0.00096766,
-0.00070425
],
[
-0.00374641,
-0.00096766,
0.00070425
]
] |
pbe
| true | 15 |
agm005266151-pbe-336
| 336 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.3667513,
7.55343492,
-0.03995204
],
[
-3.3667513,
7.55343492,
-0.03995204
],
[
0,
4.14687174,
6.11251319
]
] |
agm005266151
|
[
[
1.68337565,
3.77671746,
-0.01997602
],
[
-1.68337565,
5.8501533299999995,
3.0362805749999997
],
[
0.8241427076178229,
3.926216322106029,
2.7078623433081104
],
[
0.8241427076178232,
13.25408938789397,
0.26849017169188927
],
[
-0.8241427076178232,
15.327525257893969,
3.324746766691889
],
[
-0.8241427076178229,
5.999652192106029,
5.764118938308111
],
[
-2.513234528977502,
10.903008723815997,
3.9855002354771694
],
[
-2.513234528977502,
10.424168726184003,
5.1033654695228305
],
[
2.513234528977502,
8.350732856184003,
2.0471088745228303
],
[
2.513234528977502,
8.829572853815996,
0.9292436404771693
],
[
-1.874650655934309,
10.812286167777536,
1.7882728428809647
],
[
-1.874650655934309,
6.368019542222463,
1.1880796721190352
],
[
1.874650655934309,
8.441455412222464,
4.244336267119034
],
[
1.874650655934309,
12.885722037777535,
4.844529437880965
],
[
0.19523087137678308,
4.996112119047962,
2.4901137189415476
],
[
0.19523087137678274,
12.184193590952038,
0.4862387960584521
],
[
-0.19523087137678274,
14.257629460952039,
3.5424953910584516
],
[
-0.19523087137678308,
7.069547989047962,
5.546370313941548
],
[
-0.9200889921804571,
13.925481807751066,
5.824043015543438
],
[
-0.920088992180457,
7.401695642248935,
3.2648226894565613
],
[
0.920088992180457,
5.328259772248935,
0.20856609445656166
],
[
0.9200889921804571,
11.852045937751065,
2.7677864205434384
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.00394997,
0,
0
],
[
0,
0.01344032,
0.09925103
],
[
0,
0.09925107,
-0.22168253
]
] | -146.93516 | -158.45516 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00268256,
-0.00203317,
0.0075912
],
[
-0.00268256,
0.00203317,
-0.0075912
],
[
0.00268256,
0.00203317,
-0.0075912
],
[
0.00268256,
-0.00203317,
0.0075912
],
[
-0.00070695,
0.00089708,
-0.00501542
],
[
-0.00070695,
-0.00089708,
0.00501542
],
[
0.00070695,
-0.00089708,
0.00501542
],
[
0.00070695,
0.00089708,
-0.00501542
],
[
0.00037463,
0.00015401,
-0.00253079
],
[
0.00037463,
-0.00015401,
0.00253079
],
[
-0.00037463,
-0.00015401,
0.00253079
],
[
-0.00037463,
0.00015401,
-0.00253079
],
[
-0.00071364,
-0.00170489,
-0.00082057
],
[
-0.00071364,
0.00170489,
0.00082057
],
[
0.00071364,
0.00170489,
0.00082057
],
[
0.00071364,
-0.00170489,
-0.00082057
],
[
0.00121916,
-0.00019779,
0.00050771
],
[
0.00121916,
0.00019779,
-0.00050771
],
[
-0.00121916,
0.00019779,
-0.00050771
],
[
-0.00121916,
-0.00019779,
0.00050771
]
] |
pbe
| true | 15 |
agm005266151-pbe-337
| 337 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36676443,
7.5535103,
-0.03990673
],
[
-3.36676443,
7.5535103,
-0.03990673
],
[
0,
4.14694975,
6.11250375
]
] |
agm005266151
|
[
[
1.683382215,
3.77675515,
-0.019953365
],
[
-1.683382215,
5.850230025,
3.03629851
],
[
0.8241076415820161,
3.9262612099136796,
2.7078917897535253
],
[
0.8241076415820161,
13.25423426508632,
0.2685466252464747
],
[
-0.8241076415820161,
15.32770914008632,
3.324798500246475
],
[
-0.8241076415820161,
5.99973608491368,
5.764143664753526
],
[
-2.5132628475501373,
10.903134162193576,
3.985525025679935
],
[
-2.5132628475501373,
10.424311062806424,
5.103417139320065
],
[
2.5132628475501373,
8.350836187806424,
2.0471652643200646
],
[
2.5132628475501373,
8.829659287193575,
0.9292731506799353
],
[
-1.8746590779203416,
10.812390889092766,
1.7883199691383618
],
[
-1.8746590779203416,
6.3681045859072345,
1.188118445861638
],
[
1.8746590779203416,
8.441579460907235,
4.244370320861638
],
[
1.8746590779203416,
12.885865764092767,
4.844571844138362
],
[
0.19518897585271322,
4.9961388344970095,
2.4901119005259407
],
[
0.19518897585271278,
12.18435664050299,
0.4863265144740597
],
[
-0.19518897585271278,
14.25783151550299,
3.5425783894740595
],
[
-0.19518897585271322,
7.069613709497009,
5.54636377552594
],
[
-0.9200394192269727,
13.925673610792208,
5.824104445321574
],
[
-0.920039419226973,
7.401771614207794,
3.2648377196784266
],
[
0.920039419226973,
5.3282967392077945,
0.20858584467842659
],
[
0.9200394192269727,
11.852198735792207,
2.7678525703215735
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.01463391,
0,
0
],
[
0,
-0.01381727,
0.07559685
],
[
0,
0.07559684,
-0.23923414
]
] | -146.935163 | -158.455163 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00145559,
-0.00284214,
0.00533959
],
[
-0.00145559,
0.00284214,
-0.00533959
],
[
0.00145559,
0.00284214,
-0.00533959
],
[
0.00145559,
-0.00284214,
0.00533959
],
[
-0.00088724,
-0.00031443,
-0.00222955
],
[
-0.00088724,
0.00031443,
0.00222955
],
[
0.00088724,
0.00031443,
0.00222955
],
[
0.00088724,
-0.00031443,
-0.00222955
],
[
-0.00054397,
0.00030959,
-0.00102224
],
[
-0.00054397,
-0.00030959,
0.00102224
],
[
0.00054397,
-0.00030959,
0.00102224
],
[
0.00054397,
0.00030959,
-0.00102224
],
[
-0.00156376,
-0.00241688,
-0.00094523
],
[
-0.00156376,
0.00241688,
0.00094523
],
[
0.00156376,
0.00241688,
0.00094523
],
[
0.00156376,
-0.00241688,
-0.00094523
],
[
0.00250256,
0.00052001,
0.00116871
],
[
0.00250256,
-0.00052001,
-0.00116871
],
[
-0.00250256,
-0.00052001,
-0.00116871
],
[
-0.00250256,
0.00052001,
0.00116871
]
] |
pbe
| true | 15 |
agm005266151-pbe-338
| 338 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36680383,
7.55373643,
-0.03977077
],
[
-3.36680383,
7.55373643,
-0.03977077
],
[
0,
4.14718376,
6.11247542
]
] |
agm005266151
|
[
[
1.683401915,
3.776868215,
-0.019885385
],
[
-1.683401915,
5.850460095,
3.036352325
],
[
0.8240025451346857,
3.9263961714844933,
2.7079802517868288
],
[
0.824002545134686,
13.254668568515505,
0.2687159182131712
],
[
-0.824002545134686,
15.328260448515506,
3.324953628213171
],
[
-0.8240025451346857,
5.999988051484493,
5.764217961786829
],
[
-2.5133478789357846,
10.903510560740145,
3.9855993608956406
],
[
-2.5133478789357846,
10.424737939259856,
5.103572229104359
],
[
2.5133478789357846,
8.351146059259857,
2.0473345191043593
],
[
2.5133478789357846,
8.829918680740144,
0.9293616508956408
],
[
-1.874684315830539,
10.812704737379356,
1.7884615066088252
],
[
-1.8746843158305393,
6.368360002620644,
1.188234663391175
],
[
1.8746843158305393,
8.441951882620643,
4.244472373391175
],
[
1.874684315830539,
12.886296617379356,
4.8446992166088245
],
[
0.1950632541955526,
4.996218996489061,
2.4901063911955066
],
[
0.19506325419555282,
12.18484574351094,
0.48658977880449383
],
[
-0.19506325419555282,
14.25843762351094,
3.5428274888044937
],
[
-0.1950632541955526,
7.06981087648906,
5.546344101195507
],
[
-0.9198907006108856,
13.92624899042632,
5.824288765046625
],
[
-0.9198907006108858,
7.401999509573683,
3.264882824953375
],
[
0.9198907006108858,
5.328407629573682,
0.2086451149533749
],
[
0.9198907006108856,
11.85265711042632,
2.7680510550466253
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.06137998,
0,
0
],
[
0,
-0.0932297,
-0.00188105
],
[
0,
-0.00188104,
-0.2609774
]
] | -146.935167 | -158.455167 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00145886,
-0.00405616,
-0.00206186
],
[
0.00145886,
0.00405616,
0.00206186
],
[
-0.00145886,
0.00405616,
0.00206186
],
[
-0.00145886,
-0.00405616,
-0.00206186
],
[
-0.00105736,
-0.00349516,
0.00579579
],
[
-0.00105736,
0.00349516,
-0.00579579
],
[
0.00105736,
0.00349516,
-0.00579579
],
[
0.00105736,
-0.00349516,
0.00579579
],
[
-0.0034056,
0.0029012,
0.00284741
],
[
-0.0034056,
-0.0029012,
-0.00284741
],
[
0.0034056,
-0.0029012,
-0.00284741
],
[
0.0034056,
0.0029012,
0.00284741
],
[
-0.00146259,
-0.00235038,
-0.0008503
],
[
-0.00146259,
0.00235038,
0.0008503
],
[
0.00146259,
0.00235038,
0.0008503
],
[
0.00146259,
-0.00235038,
-0.0008503
],
[
0.00196193,
0.00153354,
0.00143131
],
[
0.00196193,
-0.00153354,
-0.00143131
],
[
-0.00196193,
-0.00153354,
-0.00143131
],
[
-0.00196193,
0.00153354,
0.00143131
]
] |
pbe
| true | 15 |
agm005266151-pbe-339
| 339 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.55295388,
7.13669579,
-0.00700588
],
[
-3.55295388,
7.13669579,
-0.00700588
],
[
0,
3.94936431,
6.10240129
]
] |
agm005266151
|
[
[
1.77647694,
3.568347895,
-0.00350294
],
[
-1.77647694,
5.5430300500000005,
3.047697705
],
[
0.7914441394428409,
3.7443554245188646,
2.6898924055122384
],
[
0.7914441394428411,
12.503718310481135,
0.3472964794877618
],
[
-0.7914441394428411,
14.478400465481135,
3.3984971244877618
],
[
-0.7914441394428409,
5.719037579518865,
5.741093050512239
],
[
-2.733054914582093,
10.33811754948768,
4.010801665238729
],
[
-2.7330549145820924,
9.859320495512321,
5.128788509761272
],
[
2.7330549145820924,
7.88463834051232,
2.0775878647612713
],
[
2.733054914582093,
8.36343539448768,
0.9596010202387284
],
[
-2.0327921846863255,
10.22604905375217,
1.8430650452026205
],
[
-2.032792184686326,
6.022024681247829,
1.1941238397973795
],
[
2.032792184686326,
7.99670683624783,
4.24532448479738
],
[
2.0327921846863255,
12.20073120875217,
4.894265690202621
],
[
0.10960386623980078,
4.7685873429803545,
2.4234745710367434
],
[
0.10960386623980067,
11.479486392019645,
0.6137143139632567
],
[
-0.10960386623980067,
13.454168547019645,
3.6649149589632573
],
[
-0.10960386623980078,
6.7432694979803545,
5.474675216036744
],
[
-1.0970388189152278,
13.064058084752132,
5.892500936169416
],
[
-1.097038818915228,
7.1333799602478685,
3.247089238830585
],
[
1.097038818915228,
5.1586978052478685,
0.19588859383058482
],
[
1.0970388189152278,
11.089375929752132,
2.841300291169415
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.19982506,
0,
0
],
[
0,
2.77828883,
-2.13875567
],
[
0,
-2.13875568,
2.24889418
]
] | -146.818305 | -158.338305 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.04552909,
-0.00137559,
-0.03670241
],
[
0.04552909,
0.00137559,
0.03670241
],
[
-0.04552909,
0.00137559,
0.03670241
],
[
-0.04552909,
-0.00137559,
-0.03670241
],
[
0.01784115,
-0.08945893,
0.0945239
],
[
0.01784115,
0.08945893,
-0.0945239
],
[
-0.01784115,
0.08945893,
-0.0945239
],
[
-0.01784115,
-0.08945893,
0.0945239
],
[
0.0150785,
0.01647366,
-0.0358575
],
[
0.0150785,
-0.01647366,
0.0358575
],
[
-0.0150785,
-0.01647366,
0.0358575
],
[
-0.0150785,
0.01647366,
-0.0358575
],
[
-0.00887237,
0.06863222,
0.00378298
],
[
-0.00887237,
-0.06863222,
-0.00378298
],
[
0.00887237,
-0.06863222,
-0.00378298
],
[
0.00887237,
0.06863222,
0.00378298
],
[
0.07379652,
-0.02393672,
-0.01266848
],
[
0.07379652,
0.02393672,
0.01266848
],
[
-0.07379652,
0.02393672,
0.01266848
],
[
-0.07379652,
-0.02393672,
-0.01266848
]
] |
pbe
| true | 15 |
agm005266151-pbe-34
| 34 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36681499,
7.55380049,
-0.03973226
],
[
-3.36681499,
7.55380049,
-0.03973226
],
[
0,
4.14725006,
6.11246739
]
] |
agm005266151
|
[
[
1.683407495,
3.776900245,
-0.01986613
],
[
-1.683407495,
5.850525275000001,
3.036367565
],
[
0.8239727530366641,
3.9264344684177623,
2.7080053124407417
],
[
0.8239727530366641,
13.25479154158224,
0.2687638625592584
],
[
-0.8239727530366641,
15.328416571582238,
3.3249975575592585
],
[
-0.8239727530366641,
6.000059498417762,
5.764239007440741
],
[
-2.513371966665468,
10.903617063983829,
3.985620358242399
],
[
-2.5133719666654675,
10.424859006016174,
5.103616206757601
],
[
2.5133719666654675,
8.351233976016173,
2.047382511757601
],
[
2.513371966665468,
8.82999203398383,
0.9293866632423989
],
[
-1.8746914725856547,
10.812793672395257,
1.7885016006437873
],
[
-1.8746914725856545,
6.3684323376047445,
1.1882675743562128
],
[
1.8746914725856545,
8.442057367604745,
4.244501269356213
],
[
1.8746914725856547,
12.886418702395257,
4.844735295643788
],
[
0.19502764017748553,
4.996241719387182,
2.490104852821129
],
[
0.19502764017748575,
12.18498429061282,
0.48666432217887096
],
[
-0.19502764017748575,
14.258609320612818,
3.542898017178871
],
[
-0.19502764017748553,
7.069866749387183,
5.546338547821129
],
[
-0.919848567130547,
13.926412087546382,
5.824340960614361
],
[
-0.9198485671305469,
7.402063982453619,
3.2648956043856394
],
[
0.9198485671305469,
5.328438952453619,
0.2086619093856395
],
[
0.919848567130547,
11.852787057546381,
2.7681072656143604
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.0589329,
0,
0
],
[
0,
-0.10267007,
-0.02340614
],
[
0,
-0.02340618,
-0.26091189
]
] | -146.935167 | -158.455167 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00273874,
-0.00410305,
-0.00436046
],
[
0.00273874,
0.00410305,
0.00436046
],
[
-0.00273874,
0.00410305,
0.00436046
],
[
-0.00273874,
-0.00410305,
-0.00436046
],
[
-0.00074531,
-0.0041755,
0.00812608
],
[
-0.00074531,
0.0041755,
-0.00812608
],
[
0.00074531,
0.0041755,
-0.00812608
],
[
0.00074531,
-0.0041755,
0.00812608
],
[
-0.00401648,
0.00413202,
0.00364109
],
[
-0.00401648,
-0.00413202,
-0.00364109
],
[
0.00401648,
-0.00413202,
-0.00364109
],
[
0.00401648,
0.00413202,
0.00364109
],
[
-0.00118496,
-0.00230016,
-0.00089304
],
[
-0.00118496,
0.00230016,
0.00089304
],
[
0.00118496,
0.00230016,
0.00089304
],
[
0.00118496,
-0.00230016,
-0.00089304
],
[
0.00161469,
0.00235317,
0.00121536
],
[
0.00161469,
-0.00235317,
-0.00121536
],
[
-0.00161469,
-0.00235317,
-0.00121536
],
[
-0.00161469,
0.00235317,
0.00121536
]
] |
pbe
| true | 15 |
agm005266151-pbe-340
| 340 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36682194,
7.55384647,
-0.0396996
],
[
-3.36682194,
7.55384647,
-0.0396996
],
[
0,
4.14730154,
6.11243167
]
] |
agm005266151
|
[
[
1.68341097,
3.776923235,
-0.0198498
],
[
-1.68341097,
5.850574005,
3.0363660350000004
],
[
0.8239497077939251,
3.926454067739033,
2.7080067275617763
],
[
0.8239497077939251,
13.254889642260967,
0.2688099074382238
],
[
-0.8239497077939251,
15.328540412260967,
3.3250257424382235
],
[
-0.8239497077939251,
6.000104837739033,
5.764222562561777
],
[
-2.5133930463320424,
10.903687051769067,
3.9856334400032285
],
[
-2.5133930463320424,
10.424958198230932,
5.103614864996771
],
[
2.5133930463320424,
8.351307428230932,
2.0473990299967713
],
[
2.5133930463320424,
8.830036281769067,
0.9294176050032287
],
[
-1.8747037931696384,
10.812863974271872,
1.7885333335576161
],
[
-1.874703793169638,
6.368479735728128,
1.1882833014423841
],
[
1.874703793169638,
8.442130505728127,
4.244499136442384
],
[
1.8747037931696384,
12.886514744271873,
4.844749168557616
],
[
0.19499242179018772,
4.996248667268937,
2.490088861098764
],
[
0.19499242179018772,
12.185095042731062,
0.48672777390123634
],
[
-0.19499242179018772,
14.258745812731062,
3.5429436089012367
],
[
-0.19499242179018772,
7.069899437268937,
5.546304696098764
],
[
-0.9198058555514967,
13.926540265230088,
5.824360415773965
],
[
-0.9198058555514964,
7.40210498476991,
3.2648878892260353
],
[
0.9198058555514964,
5.32845421476991,
0.20867205422603552
],
[
0.9198058555514967,
11.85288949523009,
2.7681445807739644
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.05500578,
0,
0
],
[
0,
-0.09601988,
-0.0440392
],
[
0,
-0.04403921,
-0.21594753
]
] | -146.935168 | -158.455168 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00280992,
-0.00450767,
-0.00509144
],
[
0.00280992,
0.00450767,
0.00509144
],
[
-0.00280992,
0.00450767,
0.00509144
],
[
-0.00280992,
-0.00450767,
-0.00509144
],
[
-0.00106851,
-0.00363467,
0.00674637
],
[
-0.00106851,
0.00363467,
-0.00674637
],
[
0.00106851,
0.00363467,
-0.00674637
],
[
0.00106851,
-0.00363467,
0.00674637
],
[
-0.00434345,
0.00385981,
0.00400721
],
[
-0.00434345,
-0.00385981,
-0.00400721
],
[
0.00434345,
-0.00385981,
-0.00400721
],
[
0.00434345,
0.00385981,
0.00400721
],
[
-0.00132968,
-0.00241167,
-0.00064237
],
[
-0.00132968,
0.00241167,
0.00064237
],
[
0.00132968,
0.00241167,
0.00064237
],
[
0.00132968,
-0.00241167,
-0.00064237
],
[
0.00143168,
0.0024239,
0.00159885
],
[
0.00143168,
-0.0024239,
-0.00159885
],
[
-0.00143168,
-0.0024239,
-0.00159885
],
[
-0.00143168,
0.0024239,
0.00159885
]
] |
pbe
| true | 15 |
agm005266151-pbe-341
| 341 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36684278,
7.55398442,
-0.03960163
],
[
-3.36684278,
7.55398442,
-0.03960163
],
[
0,
4.14745598,
6.1123245
]
] |
agm005266151
|
[
[
1.68342139,
3.77699221,
-0.019800815
],
[
-1.68342139,
5.8507202,
3.036361435
],
[
0.8238806363425315,
3.926512867713781,
2.7080109640296146
],
[
0.8238806363425315,
13.255183962286218,
0.2689480259703856
],
[
-0.8238806363425315,
15.328911952286218,
3.325110275970385
],
[
-0.8238806363425315,
6.000240857713781,
5.764173214029615
],
[
-2.5134563119285214,
10.903896756910875,
3.9856726071055077
],
[
-2.5134563119285214,
10.425256053089125,
5.103610882894492
],
[
2.5134563119285214,
8.351528063089125,
2.047448632894492
],
[
2.5134563119285214,
8.830168766910875,
0.9295103571055077
],
[
-1.8747408168995325,
10.813075043451851,
1.788628515543339
],
[
-1.8747408168995323,
6.36862178654815,
1.1883304744566607
],
[
1.8747408168995323,
8.44234977654815,
4.244492724456661
],
[
1.8747408168995325,
12.886803033451852,
4.844790765543339
],
[
0.1948867988355092,
4.996269670455909,
2.4900409991970127
],
[
0.1948867988355092,
12.185427159544089,
0.4869179908029869
],
[
-0.1948867988355092,
14.259155149544089,
3.543080240802987
],
[
-0.1948867988355092,
7.069997660455909,
5.546203249197013
],
[
-0.9196776496408663,
13.926924922932887,
5.824418696362827
],
[
-0.9196776496408661,
7.402227887067114,
3.264864793637173
],
[
0.9196776496408661,
5.328499897067114,
0.20870254363717308
],
[
0.9196776496408663,
11.853196932932885,
2.768256446362827
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.06858953,
0,
0
],
[
0,
-0.10137907,
-0.10779728
],
[
0,
-0.10779729,
-0.08291881
]
] | -146.935171 | -158.455171 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.0031518,
-0.00428824,
-0.00750252
],
[
0.0031518,
0.00428824,
0.00750252
],
[
-0.0031518,
0.00428824,
0.00750252
],
[
-0.0031518,
-0.00428824,
-0.00750252
],
[
-0.00129592,
-0.00133238,
0.00195922
],
[
-0.00129592,
0.00133238,
-0.00195922
],
[
0.00129592,
0.00133238,
-0.00195922
],
[
0.00129592,
-0.00133238,
0.00195922
],
[
-0.00472347,
0.00405222,
0.00465785
],
[
-0.00472347,
-0.00405222,
-0.00465785
],
[
0.00472347,
-0.00405222,
-0.00465785
],
[
0.00472347,
0.00405222,
0.00465785
],
[
-0.00143405,
-0.00225399,
-0.00059206
],
[
-0.00143405,
0.00225399,
0.00059206
],
[
0.00143405,
0.00225399,
0.00059206
],
[
0.00143405,
-0.00225399,
-0.00059206
],
[
0.00103918,
0.00295257,
0.00169856
],
[
0.00103918,
-0.00295257,
-0.00169856
],
[
-0.00103918,
-0.00295257,
-0.00169856
],
[
-0.00103918,
0.00295257,
0.00169856
]
] |
pbe
| true | 15 |
agm005266151-pbe-342
| 342 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36688447,
7.55426031,
-0.0394057
],
[
-3.36688447,
7.55426031,
-0.0394057
],
[
0,
4.14776488,
6.11211017
]
] |
agm005266151
|
[
[
1.683442235,
3.777130155,
-0.01970285
],
[
-1.683442235,
5.851012595,
3.0363522350000003
],
[
0.8237424257940259,
3.9266305534080415,
2.708019553289558
],
[
0.8237424257940256,
13.255772506591958,
0.2692241317104422
],
[
-0.8237424257940256,
15.329654946591958,
3.325279216710442
],
[
-0.8237424257940259,
6.000512993408042,
5.764074638289558
],
[
-2.513582886027746,
10.904316131249583,
3.9857509948172773
],
[
-2.513582886027746,
10.425851808750416,
5.103602860182723
],
[
2.513582886027746,
8.351969368750417,
2.047547775182723
],
[
2.513582886027746,
8.830433691249585,
0.9296959098172772
],
[
-1.8748148372029245,
10.813497098774393,
1.7888188689491031
],
[
-1.8748148372029252,
6.3689059612256065,
1.188424816050897
],
[
1.8748148372029252,
8.442788401225606,
4.244479901050897
],
[
1.8748148372029245,
12.887379538774393,
4.844873953949104
],
[
0.19467554953683963,
4.996311473244273,
2.4899452142494494
],
[
0.1946755495368393,
12.186091586755728,
0.48729847075055094
],
[
-0.1946755495368393,
14.259974026755728,
3.543353555750551
],
[
-0.19467554953683963,
7.070193913244273,
5.5460002992494495
],
[
-0.9194212355775424,
13.927694486956023,
5.824535374557181
],
[
-0.9194212355775424,
7.402473453043976,
3.2648184804428197
],
[
0.9194212355775424,
5.328591013043976,
0.2087633954428198
],
[
0.9194212355775424,
11.853812046956023,
2.7684802895571803
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.05983917,
0,
0
],
[
0,
-0.08923556,
-0.23564856
],
[
0,
-0.23564856,
0.19426661
]
] | -146.935172 | -158.455172 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00454269,
-0.00399264,
-0.01234652
],
[
0.00454269,
0.00399264,
0.01234652
],
[
-0.00454269,
0.00399264,
0.01234652
],
[
-0.00454269,
-0.00399264,
-0.01234652
],
[
-0.0013226,
0.00342166,
-0.00740132
],
[
-0.0013226,
-0.00342166,
0.00740132
],
[
0.0013226,
-0.00342166,
0.00740132
],
[
0.0013226,
0.00342166,
-0.00740132
],
[
-0.00547785,
0.00447629,
0.00643235
],
[
-0.00547785,
-0.00447629,
-0.00643235
],
[
0.00547785,
-0.00447629,
-0.00643235
],
[
0.00547785,
0.00447629,
0.00643235
],
[
-0.00066746,
-0.00230353,
-0.00034171
],
[
-0.00066746,
0.00230353,
0.00034171
],
[
0.00066746,
0.00230353,
0.00034171
],
[
0.00066746,
-0.00230353,
-0.00034171
],
[
-0.00000855,
0.00376739,
0.00185884
],
[
-0.00000855,
-0.00376739,
-0.00185884
],
[
0.00000855,
-0.00376739,
-0.00185884
],
[
0.00000855,
0.00376739,
0.00185884
]
] |
pbe
| true | 15 |
agm005266151-pbe-343
| 343 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36686612,
7.55413887,
-0.03949194
],
[
-3.36686612,
7.55413887,
-0.03949194
],
[
0,
4.14762892,
6.11220451
]
] |
agm005266151
|
[
[
1.68343306,
3.777069435,
-0.01974597
],
[
-1.68343306,
5.850883895,
3.036356285
],
[
0.8238032534831848,
3.92657869419407,
2.7080157604134167
],
[
0.823803253483185,
13.25551350580593,
0.26910261458658263
],
[
-0.823803253483185,
15.32932796580593,
3.3252048695865826
],
[
-0.8238032534831848,
6.00039315419407,
5.764118015413417
],
[
-2.51352716815376,
10.904131502366015,
3.9857164553354467
],
[
-2.51352716815376,
10.425589617633985,
5.103606429664553
],
[
2.51352716815376,
8.351775157633986,
2.0475041746645535
],
[
2.51352716815376,
8.830317042366016,
0.9296142003354465
],
[
-1.8747822632039437,
10.813311309204897,
1.7887350557473303
],
[
-1.8747822632039433,
6.368780890795103,
1.1883833192526698
],
[
1.8747822632039433,
8.442595350795102,
4.24448557425267
],
[
1.8747822632039437,
12.887125769204896,
4.844837310747329
],
[
0.19476855876675436,
4.996293060838692,
2.489987350652083
],
[
0.19476855876675447,
12.185799139161308,
0.4871310243479168
],
[
-0.19476855876675447,
14.259613599161309,
3.543233279347917
],
[
-0.19476855876675436,
7.070107520838691,
5.546089605652083
],
[
-0.9195340985836911,
13.927355704625356,
5.824484024671727
],
[
-0.9195340985836913,
7.402365415374643,
3.264838860328273
],
[
0.9195340985836913,
5.328550955374642,
0.2087366053282734
],
[
0.9195340985836911,
11.853541244625356,
2.7683817696717266
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.04991191,
0,
0
],
[
0,
-0.07289511,
-0.17471275
],
[
0,
-0.17471267,
0.08396983
]
] | -146.935173 | -158.455173 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00388095,
-0.00392014,
-0.01041617
],
[
0.00388095,
0.00392014,
0.01041617
],
[
-0.00388095,
0.00392014,
0.01041617
],
[
-0.00388095,
-0.00392014,
-0.01041617
],
[
-0.00111031,
0.0016332,
-0.00338612
],
[
-0.00111031,
-0.0016332,
0.00338612
],
[
0.00111031,
-0.0016332,
0.00338612
],
[
0.00111031,
0.0016332,
-0.00338612
],
[
-0.0049407,
0.00441981,
0.00527061
],
[
-0.0049407,
-0.00441981,
-0.00527061
],
[
0.0049407,
-0.00441981,
-0.00527061
],
[
0.0049407,
0.00441981,
0.00527061
],
[
-0.00088603,
-0.00228371,
-0.00050183
],
[
-0.00088603,
0.00228371,
0.00050183
],
[
0.00088603,
0.00228371,
0.00050183
],
[
0.00088603,
-0.00228371,
-0.00050183
],
[
-0.00009922,
0.00335069,
0.00160858
],
[
-0.00009922,
-0.00335069,
-0.00160858
],
[
0.00009922,
-0.00335069,
-0.00160858
],
[
0.00009922,
0.00335069,
0.00160858
]
] |
pbe
| true | 15 |
agm005266151-pbe-344
| 344 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36687141,
7.55419551,
-0.03948738
],
[
-3.36687141,
7.55419551,
-0.03948738
],
[
0,
4.14766335,
6.1121364
]
] |
agm005266151
|
[
[
1.683435705,
3.777097755,
-0.01974369
],
[
-1.683435705,
5.85092943,
3.03632451
],
[
0.8237796666582315,
3.926565933362439,
2.707955972076144
],
[
0.8237796666582318,
13.255656761637558,
0.2691374679238554
],
[
-0.8237796666582318,
15.32948843663756,
3.3252056679238557
],
[
-0.8237796666582315,
6.000397608362439,
5.7640241720761445
],
[
-2.513562631309078,
10.904199330945163,
3.9856641301181037
],
[
-2.5135626313090773,
10.425686714054837,
5.103565709881895
],
[
2.5135626313090773,
8.351855039054838,
2.0474975098818957
],
[
2.513562631309078,
8.830367655945162,
0.9295959301181038
],
[
-1.8748206620066195,
10.813406772149982,
1.7887448669616708
],
[
-1.8748206620066195,
6.368815922850018,
1.1883485730383292
],
[
1.8748206620066195,
8.44264759785002,
4.244416773038329
],
[
1.8748206620066195,
12.887238447149981,
4.84481306696167
],
[
0.19470516357887702,
4.996264625850636,
2.4899331077219617
],
[
0.19470516357887657,
12.185958069149363,
0.48716033227803834
],
[
-0.19470516357887657,
14.259789744149362,
3.543228532278038
],
[
-0.19470516357887702,
7.070096300850636,
5.546001307721962
],
[
-0.9194608998110319,
13.92750848921898,
5.824449638435141
],
[
-0.9194608998110319,
7.402377555781019,
3.2647802015648595
],
[
0.9194608998110319,
5.328545880781019,
0.2087120015648598
],
[
0.9194608998110319,
11.85367681421898,
2.76838143843514
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.03329492,
0,
0
],
[
0,
-0.06491233,
-0.15510139
],
[
0,
-0.15510139,
0.14894053
]
] | -146.935177 | -158.455177 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00230603,
-0.00236627,
-0.00815757
],
[
0.00230603,
0.00236627,
0.00815757
],
[
-0.00230603,
0.00236627,
0.00815757
],
[
-0.00230603,
-0.00236627,
-0.00815757
],
[
-0.00152287,
0.00141653,
-0.00284425
],
[
-0.00152287,
-0.00141653,
0.00284425
],
[
0.00152287,
-0.00141653,
0.00284425
],
[
0.00152287,
0.00141653,
-0.00284425
],
[
-0.00359092,
0.00269218,
0.00305249
],
[
-0.00359092,
-0.00269218,
-0.00305249
],
[
0.00359092,
-0.00269218,
-0.00305249
],
[
0.00359092,
0.00269218,
0.00305249
],
[
-0.00157176,
-0.00225484,
-0.00040734
],
[
-0.00157176,
0.00225484,
0.00040734
],
[
0.00157176,
0.00225484,
0.00040734
],
[
0.00157176,
-0.00225484,
-0.00040734
],
[
0.0008588,
0.00387655,
0.00197848
],
[
0.0008588,
-0.00387655,
-0.00197848
],
[
-0.0008588,
-0.00387655,
-0.00197848
],
[
-0.0008588,
0.00387655,
0.00197848
]
] |
pbe
| true | 15 |
agm005266151-pbe-345
| 345 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36688727,
7.55436541,
-0.03947368
],
[
-3.36688727,
7.55436541,
-0.03947368
],
[
0,
4.14776665,
6.11193208
]
] |
agm005266151
|
[
[
1.683443635,
3.777182705,
-0.01973684
],
[
-1.683443635,
5.85106603,
3.0362291999999997
],
[
0.8237088022611364,
3.9265276382608096,
2.707776498352685
],
[
0.8237088022611365,
13.25608650673919,
0.26924218164731517
],
[
-0.8237088022611365,
15.32996983173919,
3.325208221647315
],
[
-0.8237088022611364,
6.00041096326081,
5.763742538352685
],
[
-2.513669047572222,
10.90440279269785,
3.9855070616585633
],
[
-2.5136690475722214,
10.425978002302148,
5.103443698341437
],
[
2.5136690475722214,
8.35209467730215,
2.0474776583414367
],
[
2.513669047572222,
8.830519467697851,
0.9295410216585631
],
[
-1.8749358871832131,
10.813692954879567,
1.7887743879410671
],
[
-1.8749358871832134,
6.368921190120433,
1.188244292058933
],
[
1.8749358871832134,
8.442804515120432,
4.244210332058932
],
[
1.8749358871832131,
12.887576279879568,
4.844740427941066
],
[
0.19451497623647385,
4.996179117461618,
2.4897703348965416
],
[
0.19451497623647374,
12.186435027538383,
0.4872483451034584
],
[
-0.19451497623647374,
14.260318352538384,
3.5432143851034583
],
[
-0.19451497623647385,
7.070062442461618,
5.545736374896541
],
[
-0.9192413666932069,
13.927966528351428,
5.824346514062478
],
[
-0.9192413666932071,
7.402414266648573,
3.2646042459375217
],
[
0.9192413666932071,
5.328530941648573,
0.20863820593752164
],
[
0.9192413666932069,
11.854083203351427,
2.7683804740624782
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.03242861,
0,
0
],
[
0,
0.03764138,
-0.08119559
],
[
0,
-0.0811956,
0.36751109
]
] | -146.935183 | -158.455183 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00236135,
0.00152231,
-0.00199716
],
[
-0.00236135,
-0.00152231,
0.00199716
],
[
0.00236135,
-0.00152231,
0.00199716
],
[
0.00236135,
0.00152231,
-0.00199716
],
[
-0.00157918,
0.00117899,
-0.00108622
],
[
-0.00157918,
-0.00117899,
0.00108622
],
[
0.00157918,
-0.00117899,
0.00108622
],
[
0.00157918,
0.00117899,
-0.00108622
],
[
0.00195632,
-0.00232205,
-0.00397376
],
[
0.00195632,
0.00232205,
0.00397376
],
[
-0.00195632,
0.00232205,
0.00397376
],
[
-0.00195632,
-0.00232205,
-0.00397376
],
[
-0.00159135,
-0.00051297,
-0.00076867
],
[
-0.00159135,
0.00051297,
0.00076867
],
[
0.00159135,
0.00051297,
0.00076867
],
[
0.00159135,
-0.00051297,
-0.00076867
],
[
-0.0000384,
0.00315422,
0.00162179
],
[
-0.0000384,
-0.00315422,
-0.00162179
],
[
0.0000384,
-0.00315422,
-0.00162179
],
[
0.0000384,
0.00315422,
0.00162179
]
] |
pbe
| true | 15 |
agm005266151-pbe-346
| 346 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36689729,
7.55441898,
-0.039509
],
[
-3.36689729,
7.55441898,
-0.039509
],
[
0,
4.14776786,
6.11200498
]
] |
agm005266151
|
[
[
1.683448645,
3.77720949,
-0.0197545
],
[
-1.683448645,
5.85109342,
3.03624799
],
[
0.8236791671224617,
3.9265255445619314,
2.7077658551726937
],
[
0.8236791671224615,
13.256196345438068,
0.26921863482730646
],
[
-0.8236791671224615,
15.33008027543807,
3.3252211248273067
],
[
-0.8236791671224617,
6.000409474561931,
5.763768345172693
],
[
-2.5137074364755527,
10.904459471400159,
3.9855015827483165
],
[
-2.5137074364755527,
10.426030278599843,
5.103487887251684
],
[
2.5137074364755527,
8.352146348599842,
2.0474853972516835
],
[
2.5137074364755527,
8.830575541400158,
0.9294990927483162
],
[
-1.8749506250329449,
10.813753683889802,
1.788739918841221
],
[
-1.8749506250329449,
6.368968206110196,
1.1882445711587792
],
[
1.8749506250329449,
8.442852136110197,
4.244247061158779
],
[
1.8749506250329449,
12.887637613889801,
4.8447424088412205
],
[
0.19446407526176857,
4.9961566067060525,
2.4897615211857547
],
[
0.19446407526176834,
12.186565283293948,
0.4872229688142454
],
[
-0.19446407526176834,
14.260449213293949,
3.5432254588142453
],
[
-0.19446407526176857,
7.070040536706053,
5.545764011185755
],
[
-0.9191968648257105,
13.928088675409743,
5.824397282496191
],
[
-0.9191968648257102,
7.402401074590257,
3.264592187503809
],
[
0.9191968648257102,
5.328517144590258,
0.208589697503809
],
[
0.9191968648257105,
11.854204745409742,
2.768394792496191
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.03246077,
0,
0
],
[
0,
0.03107931,
-0.04944799
],
[
0,
-0.049448,
0.27899249
]
] | -146.935186 | -158.455186 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00197836,
0.0012357,
-0.00082014
],
[
-0.00197836,
-0.0012357,
0.00082014
],
[
0.00197836,
-0.0012357,
0.00082014
],
[
0.00197836,
0.0012357,
-0.00082014
],
[
-0.00139247,
-0.00022601,
0.00210284
],
[
-0.00139247,
0.00022601,
-0.00210284
],
[
0.00139247,
0.00022601,
-0.00210284
],
[
0.00139247,
-0.00022601,
0.00210284
],
[
0.00191946,
-0.00210651,
-0.00385526
],
[
0.00191946,
0.00210651,
0.00385526
],
[
-0.00191946,
0.00210651,
0.00385526
],
[
-0.00191946,
-0.00210651,
-0.00385526
],
[
-0.00208688,
-0.00063841,
-0.00113873
],
[
-0.00208688,
0.00063841,
0.00113873
],
[
0.00208688,
0.00063841,
0.00113873
],
[
0.00208688,
-0.00063841,
-0.00113873
],
[
0.00116716,
0.00326546,
0.0018152
],
[
0.00116716,
-0.00326546,
-0.0018152
],
[
-0.00116716,
-0.00326546,
-0.0018152
],
[
-0.00116716,
0.00326546,
0.0018152
]
] |
pbe
| true | 15 |
agm005266151-pbe-347
| 347 | 1 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36689729,
7.55441898,
-0.039509
],
[
-3.36689729,
7.55441898,
-0.039509
],
[
0,
4.14776786,
6.11200498
]
] |
agm005266151
|
[
[
1.683448645,
3.77720949,
-0.0197545
],
[
-1.683448645,
5.85109342,
3.03624799
],
[
0.8236791671224617,
3.9265255445619314,
2.7077658551726937
],
[
0.8236791671224615,
13.256196345438068,
0.26921863482730646
],
[
-0.8236791671224615,
15.33008027543807,
3.3252211248273067
],
[
-0.8236791671224617,
6.000409474561931,
5.763768345172693
],
[
-2.5137074364755527,
10.904459471400159,
3.9855015827483165
],
[
-2.5137074364755527,
10.426030278599843,
5.103487887251684
],
[
2.5137074364755527,
8.352146348599842,
2.0474853972516835
],
[
2.5137074364755527,
8.830575541400158,
0.9294990927483162
],
[
-1.8749506250329449,
10.813753683889802,
1.788739918841221
],
[
-1.8749506250329449,
6.368968206110196,
1.1882445711587792
],
[
1.8749506250329449,
8.442852136110197,
4.244247061158779
],
[
1.8749506250329449,
12.887637613889801,
4.8447424088412205
],
[
0.19446407526176857,
4.9961566067060525,
2.4897615211857547
],
[
0.19446407526176834,
12.186565283293948,
0.4872229688142454
],
[
-0.19446407526176834,
14.260449213293949,
3.5432254588142453
],
[
-0.19446407526176857,
7.070040536706053,
5.545764011185755
],
[
-0.9191968648257105,
13.928088675409743,
5.824397282496191
],
[
-0.9191968648257102,
7.402401074590257,
3.264592187503809
],
[
0.9191968648257102,
5.328517144590258,
0.208589697503809
],
[
0.9191968648257105,
11.854204745409742,
2.768394792496191
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.10196273,
0,
0
],
[
0,
3.50031732,
0.20362013
],
[
0,
0.20362012,
0.8353114
]
] | -146.961767 | -158.481767 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00265993,
0.00179192,
-0.00056248
],
[
-0.00265993,
-0.00179192,
0.00056248
],
[
0.00265993,
-0.00179192,
0.00056248
],
[
0.00265993,
0.00179192,
-0.00056248
],
[
-0.00176314,
-0.00051179,
0.00170568
],
[
-0.00176314,
0.00051179,
-0.00170568
],
[
0.00176314,
0.00051179,
-0.00170568
],
[
0.00176314,
-0.00051179,
0.00170568
],
[
0.00213724,
-0.00194399,
-0.00270057
],
[
0.00213724,
0.00194399,
0.00270057
],
[
-0.00213724,
0.00194399,
0.00270057
],
[
-0.00213724,
-0.00194399,
-0.00270057
],
[
-0.00212304,
-0.00046951,
-0.00188405
],
[
-0.00212304,
0.00046951,
0.00188405
],
[
0.00212304,
0.00046951,
0.00188405
],
[
0.00212304,
-0.00046951,
-0.00188405
],
[
0.00123614,
0.00295671,
0.00118733
],
[
0.00123614,
-0.00295671,
-0.00118733
],
[
-0.00123614,
-0.00295671,
-0.00118733
],
[
-0.00123614,
0.00295671,
0.00118733
]
] |
pbe
| true | 15 |
agm005266151-pbe-348
| 348 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36704389,
7.56570803,
-0.03886619
],
[
-3.36704389,
7.56570803,
-0.03886619
],
[
0,
4.1544995,
6.11454594
]
] |
agm005266151
|
[
[
1.683521945,
3.782854015,
-0.019433095
],
[
-1.683521945,
5.860103765,
3.037839875
],
[
0.823586679694947,
3.9327170834235763,
2.7090460740828943
],
[
0.8235866796949471,
13.275948726576422,
0.2704945159171058
],
[
-0.8235866796949471,
15.353198476576422,
3.3277674859171062
],
[
-0.823586679694947,
6.009966833423576,
5.766319044082895
],
[
-2.513901972447411,
10.92108143089509,
3.9879537957864875
],
[
-2.513901972447411,
10.442083879104912,
5.106132734213514
],
[
2.513901972447411,
8.364834129104912,
2.0488597642135127
],
[
2.513901972447411,
8.84383168089509,
0.9306808257864874
],
[
-1.8749291307758025,
10.829979880725704,
1.790187990098788
],
[
-1.8749291307758023,
6.378685929274296,
1.1893525999012122
],
[
1.8749291307758023,
8.455935679274296,
4.246625569901212
],
[
1.8749291307758025,
12.907229630725702,
4.847460960098788
],
[
0.19437011705812468,
5.003818690619579,
2.490993180808156
],
[
0.19437011705812512,
12.20484711938042,
0.4885474091918443
],
[
-0.19437011705812512,
14.282096869380418,
3.545820379191844
],
[
-0.19437011705812468,
7.081068440619579,
5.548266150808156
],
[
-0.9191772577546802,
13.949557987015773,
5.827743417805111
],
[
-0.9191772577546803,
7.413607322984227,
3.2663431121948894
],
[
0.9191772577546803,
5.336357572984228,
0.2090701421948894
],
[
0.9191772577546802,
11.872308237015773,
2.7704704478051108
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-1.40282148,
0,
0
],
[
0,
-0.50993093,
0.37943628
],
[
0,
0.37943631,
-1.73850086
]
] | -146.962167 | -158.482167 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01128754,
0.02334675,
-0.02138448
],
[
-0.01128754,
-0.02334675,
0.02138448
],
[
0.01128754,
-0.02334675,
0.02138448
],
[
0.01128754,
0.02334675,
-0.02138448
],
[
-0.00544423,
0.00279823,
0.0037879
],
[
-0.00544423,
-0.00279823,
-0.0037879
],
[
0.00544423,
-0.00279823,
-0.0037879
],
[
0.00544423,
0.00279823,
0.0037879
],
[
-0.03368465,
0.04029782,
0.0282915
],
[
-0.03368465,
-0.04029782,
-0.0282915
],
[
0.03368465,
-0.04029782,
-0.0282915
],
[
0.03368465,
0.04029782,
0.0282915
],
[
0.04272327,
-0.07319371,
0.01002615
],
[
0.04272327,
0.07319371,
-0.01002615
],
[
-0.04272327,
0.07319371,
-0.01002615
],
[
-0.04272327,
-0.07319371,
0.01002615
],
[
-0.01419111,
0.04386459,
0.00520561
],
[
-0.01419111,
-0.04386459,
-0.00520561
],
[
0.01419111,
-0.04386459,
-0.00520561
],
[
0.01419111,
0.04386459,
0.00520561
]
] |
pbe
| true | 15 |
agm005266151-pbe-349
| 349 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.55297347,
7.13667763,
-0.00699137
],
[
-3.55297347,
7.13667763,
-0.00699137
],
[
0,
3.94936668,
6.10241129
]
] |
agm005266151
|
[
[
1.776486735,
3.568338815,
-0.003495685
],
[
-1.776486735,
5.543022155,
3.04770996
],
[
0.7914510258569739,
3.7443514333286014,
2.6898966741156203
],
[
0.7914510258569734,
12.5036871666714,
0.3473262308843794
],
[
-0.7914510258569734,
14.4783705066714,
3.3985318758843794
],
[
-0.7914510258569739,
5.719034773328602,
5.741102319115621
],
[
-2.7330713695467765,
10.338099361002257,
4.010832164150793
],
[
-2.733071369546777,
9.859305918997743,
5.128802030849208
],
[
2.733071369546777,
7.884622578997743,
2.0775963858492075
],
[
2.7330713695467765,
8.363416021002257,
0.9596265191507929
],
[
-2.03280474306725,
10.226028884439424,
1.8430843561048817
],
[
-2.03280474306725,
6.022009715560576,
1.1941385488951182
],
[
2.03280474306725,
7.996693055560575,
4.245344193895118
],
[
2.03280474306725,
12.200712224439425,
4.894290001104882
],
[
0.10959544601243643,
4.768581719657089,
2.4234810791876327
],
[
0.10959544601243643,
11.479456880342912,
0.6137418258123674
],
[
-0.10959544601243643,
13.45414022034291,
3.6649474708123675
],
[
-0.10959544601243643,
6.743265059657089,
5.474686724187633
],
[
-1.0970513340940222,
13.0640316651353,
5.892539483345814
],
[
-1.0970513340940222,
7.1333736148647,
3.247094711654186
],
[
1.0970513340940222,
5.1586902748647,
0.1958890666541859
],
[
1.0970513340940222,
11.0893483251353,
2.841333838345814
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.20988089,
0,
0
],
[
0,
2.76218818,
-2.14049801
],
[
0,
-2.14049816,
2.24309099
]
] | -146.818305 | -158.338305 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.0450817,
-0.00131005,
-0.03632104
],
[
0.0450817,
0.00131005,
0.03632104
],
[
-0.0450817,
0.00131005,
0.03632104
],
[
-0.0450817,
-0.00131005,
-0.03632104
],
[
0.0178267,
-0.08878568,
0.09256959
],
[
0.0178267,
0.08878568,
-0.09256959
],
[
-0.0178267,
0.08878568,
-0.09256959
],
[
-0.0178267,
-0.08878568,
0.09256959
],
[
0.01482843,
0.01653569,
-0.03562858
],
[
0.01482843,
-0.01653569,
0.03562858
],
[
-0.01482843,
-0.01653569,
0.03562858
],
[
-0.01482843,
0.01653569,
-0.03562858
],
[
-0.00849117,
0.0678983,
0.00380144
],
[
-0.00849117,
-0.0678983,
-0.00380144
],
[
0.00849117,
-0.0678983,
-0.00380144
],
[
0.00849117,
0.0678983,
0.00380144
],
[
0.07365489,
-0.02412691,
-0.0125089
],
[
0.07365489,
0.02412691,
0.0125089
],
[
-0.07365489,
0.02412691,
0.0125089
],
[
-0.07365489,
-0.02412691,
-0.0125089
]
] |
pbe
| true | 15 |
agm005266151-pbe-35
| 35 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36701307,
7.56333438,
-0.03900135
],
[
-3.36701307,
7.56333438,
-0.03900135
],
[
0,
4.1530841,
6.11401167
]
] |
agm005266151
|
[
[
1.683506535,
3.78166719,
-0.019500675
],
[
-1.683506535,
5.85820924,
3.03750516
],
[
0.8236061444968823,
3.931415279425821,
2.7087768626985005
],
[
0.8236061444968823,
13.271795530574177,
0.2702262723014994
],
[
-0.8236061444968823,
15.348337580574178,
3.3272321073014997
],
[
-0.8236061444968823,
6.007957329425821,
5.7657826976985005
],
[
-2.5138610491125606,
10.917586543275382,
3.987438213564055
],
[
-2.5138610491125606,
10.438708366724615,
5.105576591435945
],
[
2.5138610491125606,
8.362166316724615,
2.0485707564359448
],
[
2.5138610491125606,
8.841044493275383,
0.9304323785640549
],
[
-1.8749336859778591,
10.826568159975686,
1.7898835050692667
],
[
-1.8749336859778594,
6.376642650024314,
1.1891196299307334
],
[
1.8749336859778594,
8.453184700024313,
4.246125464930733
],
[
1.8749336859778591,
12.903110209975686,
4.846889340069267
],
[
0.19438988678854408,
5.002207663843722,
2.490734211773334
],
[
0.19438988678854452,
12.201003146156278,
0.488268923226666
],
[
-0.19438988678854452,
14.277545196156279,
3.5452747582266655
],
[
-0.19438988678854408,
7.078749713843722,
5.547740046773334
],
[
-0.9191813694187654,
13.945043773718227,
5.827039837157103
],
[
-0.9191813694187658,
7.411251136281773,
3.2659749678428973
],
[
0.9191813694187658,
5.334709086281773,
0.20896913284289761
],
[
0.9191813694187654,
11.868501723718227,
2.770034002157102
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-1.0932638,
0,
0
],
[
0,
0.32167379,
0.34230135
],
[
0,
0.34230138,
-1.20853708
]
] | -146.962199 | -158.482199 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00928422,
0.0187666,
-0.01705352
],
[
-0.00928422,
-0.0187666,
0.01705352
],
[
0.00928422,
-0.0187666,
0.01705352
],
[
0.00928422,
0.0187666,
-0.01705352
],
[
-0.00448322,
0.00212516,
0.00329289
],
[
-0.00448322,
-0.00212516,
-0.00329289
],
[
0.00448322,
-0.00212516,
-0.00329289
],
[
0.00448322,
0.00212516,
0.00329289
],
[
-0.02624336,
0.03136162,
0.02243086
],
[
-0.02624336,
-0.03136162,
-0.02243086
],
[
0.02624336,
-0.03136162,
-0.02243086
],
[
0.02624336,
0.03136162,
0.02243086
],
[
0.03373865,
-0.05821105,
0.00755001
],
[
0.03373865,
0.05821105,
-0.00755001
],
[
-0.03373865,
0.05821105,
-0.00755001
],
[
-0.03373865,
-0.05821105,
0.00755001
],
[
-0.01075456,
0.03466025,
0.00432826
],
[
-0.01075456,
-0.03466025,
-0.00432826
],
[
0.01075456,
-0.03466025,
-0.00432826
],
[
0.01075456,
0.03466025,
0.00432826
]
] |
pbe
| true | 15 |
agm005266151-pbe-350
| 350 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.3667613,
7.567414,
-0.03856394
],
[
-3.3667613,
7.567414,
-0.03856394
],
[
0,
4.15567982,
6.11439483
]
] |
agm005266151
|
[
[
1.68338065,
3.783707,
-0.01928197
],
[
-1.68338065,
5.8615469099999995,
3.037915445
],
[
0.82341453463521,
3.933897500221136,
2.708900635318498
],
[
0.8234145346352104,
13.278770409778865,
0.27116889968150204
],
[
-0.8234145346352104,
15.356610319778865,
3.328366314681502
],
[
-0.82341453463521,
6.011737410221135,
5.766098050318498
],
[
-2.513743775947054,
10.923720983471036,
3.9882225634016852
],
[
-2.513743775947054,
10.444626746528963,
5.106241801598315
],
[
2.513743775947054,
8.366786836528963,
2.0490443865983146
],
[
2.513743775947054,
8.845881073471036,
0.9310251484016853
],
[
-1.875000980420729,
10.832773197886132,
1.7907155815126785
],
[
-1.875000980420729,
6.3798947121138685,
1.1893539534873214
],
[
1.875000980420729,
8.457734622113868,
4.246551368487322
],
[
1.875000980420729,
12.910613107886132,
4.847912996512679
],
[
0.19465250298273495,
5.004504790599768,
2.491120827332038
],
[
0.19465250298273507,
12.208163119400233,
0.4889487076679626
],
[
-0.19465250298273507,
14.286003029400232,
3.5461461226679623
],
[
-0.19465250298273495,
7.0823447005997675,
5.548318242332038
],
[
-0.919191722418641,
13.953277631579567,
5.828043560837411
],
[
-0.919191722418641,
7.4150700984204345,
3.266420804162589
],
[
0.919191722418641,
5.337230188420436,
0.20922338916258912
],
[
0.919191722418641,
11.875437721579567,
2.7708461458374107
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-1.02838589,
0,
0
],
[
0,
0.30477362,
0.38839502
],
[
0,
0.38839508,
-1.45324176
]
] | -146.962533 | -158.482533 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00153713,
-0.00035614,
0.00178047
],
[
-0.00153713,
0.00035614,
-0.00178047
],
[
0.00153713,
0.00035614,
-0.00178047
],
[
0.00153713,
-0.00035614,
0.00178047
],
[
-0.00550964,
0.00661789,
-0.00556189
],
[
-0.00550964,
-0.00661789,
0.00556189
],
[
0.00550964,
-0.00661789,
0.00556189
],
[
0.00550964,
0.00661789,
-0.00556189
],
[
-0.02252145,
0.02954959,
0.01270536
],
[
-0.02252145,
-0.02954959,
-0.01270536
],
[
0.02252145,
-0.02954959,
-0.01270536
],
[
0.02252145,
0.02954959,
0.01270536
],
[
0.02241077,
-0.03840294,
0.00294916
],
[
0.02241077,
0.03840294,
-0.00294916
],
[
-0.02241077,
0.03840294,
-0.00294916
],
[
-0.02241077,
-0.03840294,
0.00294916
],
[
-0.01281608,
0.0423942,
0.00561717
],
[
-0.01281608,
-0.0423942,
-0.00561717
],
[
0.01281608,
-0.0423942,
-0.00561717
],
[
0.01281608,
0.0423942,
0.00561717
]
] |
pbe
| true | 15 |
agm005266151-pbe-351
| 351 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36630237,
7.57485028,
-0.03776664
],
[
-3.36630237,
7.57485028,
-0.03776664
],
[
0,
4.16041126,
6.11509324
]
] |
agm005266151
|
[
[
1.683151185,
3.78742514,
-0.01888332
],
[
-1.683151185,
5.86763077,
3.0386633
],
[
0.8230653393211046,
3.9384225051713972,
2.709126288473639
],
[
0.8230653393211047,
13.291483684828602,
0.27288705152636084
],
[
-0.8230653393211047,
15.371689314828602,
3.330433671526361
],
[
-0.8230653393211046,
6.018628135171397,
5.76667290847364
],
[
-2.5135299845350483,
10.934902765984003,
3.989652312263822
],
[
-2.5135299845350483,
10.455414684015997,
5.107454267736179
],
[
2.5135299845350483,
8.375209054015997,
2.0499076477361786
],
[
2.5135299845350483,
8.854697135984004,
0.9321056922638217
],
[
-1.8751237003286727,
10.844084123079593,
1.7922323314003958
],
[
-1.8751237003286727,
6.385822066920405,
1.1897810085996046
],
[
1.8751237003286727,
8.466027696920406,
4.247327628599604
],
[
1.8751237003286727,
12.924289753079595,
4.849778951400396
],
[
0.19513111684244366,
5.00869077520691,
2.491825358925502
],
[
0.19513111684244322,
12.22121541479309,
0.4901879810744976
],
[
-0.19513111684244322,
14.30142104479309,
3.547734601074498
],
[
-0.19513111684244366,
7.08889640520691,
5.549371978925502
],
[
-0.9192105706148643,
13.968286670184318,
5.829873184717799
],
[
-0.9192105706148644,
7.422030779815682,
3.267233395282201
],
[
0.9192105706148644,
5.341825149815682,
0.2096867752822008
],
[
0.9192105706148643,
11.888081040184318,
2.7723265647177993
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.86343134,
0,
0
],
[
0,
0.41818074,
0.47386544
],
[
0,
0.47386542,
-1.83483686
]
] | -146.962917 | -158.482917 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01298124,
-0.03496881,
0.03541765
],
[
0.01298124,
0.03496881,
-0.03541765
],
[
-0.01298124,
0.03496881,
-0.03541765
],
[
-0.01298124,
-0.03496881,
0.03541765
],
[
-0.00709338,
0.01501036,
-0.02190893
],
[
-0.00709338,
-0.01501036,
0.02190893
],
[
0.00709338,
-0.01501036,
0.02190893
],
[
0.00709338,
0.01501036,
-0.02190893
],
[
-0.01584882,
0.02736914,
-0.00542094
],
[
-0.01584882,
-0.02736914,
0.00542094
],
[
0.01584882,
-0.02736914,
0.00542094
],
[
0.01584882,
0.02736914,
-0.00542094
],
[
0.00228075,
-0.00345501,
-0.00548621
],
[
0.00228075,
0.00345501,
0.00548621
],
[
-0.00228075,
0.00345501,
0.00548621
],
[
-0.00228075,
-0.00345501,
-0.00548621
],
[
-0.01618312,
0.05671014,
0.00796077
],
[
-0.01618312,
-0.05671014,
-0.00796077
],
[
0.01618312,
-0.05671014,
-0.00796077
],
[
0.01618312,
0.05671014,
0.00796077
]
] |
pbe
| true | 15 |
agm005266151-pbe-352
| 352 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36538451,
7.58972284,
-0.03617202
],
[
-3.36538451,
7.58972284,
-0.03617202
],
[
0,
4.16987414,
6.11649005
]
] |
agm005266151
|
[
[
1.682692255,
3.79486142,
-0.01808601
],
[
-1.682692255,
5.879798490000001,
3.040159015
],
[
0.8223671088635452,
3.947473743187736,
2.709577634033752
],
[
0.8223671088635456,
13.316909006812267,
0.2763233509662478
],
[
-0.8223671088635456,
15.401846076812266,
3.334568375966248
],
[
-0.8223671088635452,
6.032410813187736,
5.767822659033753
],
[
-2.5131023636116843,
10.957266477398745,
3.99251180406206
],
[
-2.5131023636116847,
10.476990412601257,
5.109879230937941
],
[
2.5131023636116847,
8.392053342601255,
2.0516342059379404
],
[
2.5131023636116843,
8.872329407398745,
0.9342667790620599
],
[
-1.8753688643510849,
10.866708018854789,
1.7952661088461752
],
[
-1.8753688643510849,
6.397674731145211,
1.1906348761538252
],
[
1.8753688643510849,
8.482611801145211,
4.248879901153825
],
[
1.8753688643510849,
12.95164508885479,
4.853511133846174
],
[
0.19608809962887175,
5.017058864458349,
2.4932341109350875
],
[
0.19608809962887142,
12.247323885541652,
0.49266687406491255
],
[
-0.19608809962887142,
14.332260955541653,
3.550911899064913
],
[
-0.19608809962887175,
7.1019959344583485,
5.551479135935088
],
[
-0.91924818275286,
13.998307681118707,
5.833532725136347
],
[
-0.9192481827528606,
7.435949208881296,
3.268858309863654
],
[
0.9192481827528606,
5.351012138881296,
0.21061328486365372
],
[
0.91924818275286,
11.913370611118706,
2.7752877001363463
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.54626004,
0,
0
],
[
0,
0.55064214,
0.64602954
],
[
0,
0.64602959,
-2.63372549
]
] | -146.962857 | -158.482857 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.04196523,
-0.10448069,
0.10250305
],
[
0.04196523,
0.10448069,
-0.10250305
],
[
-0.04196523,
0.10448069,
-0.10250305
],
[
-0.04196523,
-0.10448069,
0.10250305
],
[
-0.01043476,
0.03153517,
-0.0540366
],
[
-0.01043476,
-0.03153517,
0.0540366
],
[
0.01043476,
-0.03153517,
0.0540366
],
[
0.01043476,
0.03153517,
-0.0540366
],
[
-0.00282615,
0.02241615,
-0.04155646
],
[
-0.00282615,
-0.02241615,
0.04155646
],
[
0.00282615,
-0.02241615,
0.04155646
],
[
0.00282615,
0.02241615,
-0.04155646
],
[
-0.03865943,
0.0672329,
-0.02220394
],
[
-0.03865943,
-0.0672329,
0.02220394
],
[
0.03865943,
-0.0672329,
0.02220394
],
[
0.03865943,
0.0672329,
-0.02220394
],
[
-0.02358528,
0.08549208,
0.01265892
],
[
-0.02358528,
-0.08549208,
-0.01265892
],
[
0.02358528,
-0.08549208,
-0.01265892
],
[
0.02358528,
0.08549208,
0.01265892
]
] |
pbe
| true | 15 |
agm005266151-pbe-353
| 353 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36589867,
7.58139164,
-0.03706528
],
[
-3.36589867,
7.58139164,
-0.03706528
],
[
0,
4.1645733,
6.1157076
]
] |
agm005266151
|
[
[
1.682949335,
3.79069582,
-0.01853264
],
[
-1.682949335,
5.87298247,
3.03932116
],
[
0.8227582850145847,
3.942403874109582,
2.7093248286194997
],
[
0.8227582850145847,
13.302666055890416,
0.2743984113805008
],
[
-0.8227582850145847,
15.384952705890417,
3.3322522113805007
],
[
-0.8227582850145847,
6.024690524109582,
5.767178628619499
],
[
-2.5133418821059847,
10.944738896727115,
3.990909974848907
],
[
-2.513341882105985,
10.464904333272885,
5.108520865151093
],
[
2.513341882105985,
8.382617683272885,
2.050667065151093
],
[
2.5133418821059847,
8.862452246727115,
0.9330561748489073
],
[
-1.8752314463487152,
10.854035332087996,
1.7935667944827098
],
[
-1.8752314463487152,
6.391034597912004,
1.1901564455172906
],
[
1.8752314463487152,
8.473321247912004,
4.248010245517291
],
[
1.8752314463487152,
12.936321982087996,
4.85142059448271
],
[
0.19555191361168656,
5.012370090096842,
2.49244484084108
],
[
0.19555191361168678,
12.232699839903155,
0.49127839915892
],
[
-0.19555191361168678,
14.314986489903156,
3.5491321991589198
],
[
-0.19555191361168656,
7.094656740096841,
5.55029864084108
],
[
-0.9192270950719337,
13.981491603967386,
5.831482840399725
],
[
-0.9192270950719336,
7.428151626032612,
3.267947999600276
],
[
0.9192270950719336,
5.345864976032613,
0.2100941996002752
],
[
0.9192270950719337,
11.899204953967388,
2.773629040399725
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.7308567,
0,
0
],
[
0,
0.46866789,
0.55051423
],
[
0,
0.55051419,
-2.19354736
]
] | -146.963029 | -158.483029 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.02569871,
-0.06534897,
0.06477885
],
[
0.02569871,
0.06534897,
-0.06477885
],
[
-0.02569871,
0.06534897,
-0.06477885
],
[
-0.02569871,
-0.06534897,
0.06477885
],
[
-0.00863912,
0.0222423,
-0.03593005
],
[
-0.00863912,
-0.0222423,
0.03593005
],
[
0.00863912,
-0.0222423,
0.03593005
],
[
0.00863912,
0.0222423,
-0.03593005
],
[
-0.01049,
0.02527683,
-0.02119664
],
[
-0.01049,
-0.02527683,
0.02119664
],
[
0.01049,
-0.02527683,
0.02119664
],
[
0.01049,
0.02527683,
-0.02119664
],
[
-0.01575991,
0.0271177,
-0.01276756
],
[
-0.01575991,
-0.0271177,
0.01276756
],
[
0.01575991,
-0.0271177,
0.01276756
],
[
0.01575991,
0.0271177,
-0.01276756
],
[
-0.01979,
0.06985505,
0.01013797
],
[
-0.01979,
-0.06985505,
-0.01013797
],
[
0.01979,
-0.06985505,
-0.01013797
],
[
0.01979,
0.06985505,
0.01013797
]
] |
pbe
| true | 15 |
agm005266151-pbe-354
| 354 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36565923,
7.58429621,
-0.03664895
],
[
-3.36565923,
7.58429621,
-0.03664895
],
[
0,
4.16650448,
6.11567032
]
] |
agm005266151
|
[
[
1.682829615,
3.792148105,
-0.018324475
],
[
-1.682829615,
5.875400345,
3.039510685
],
[
0.8226887170799799,
3.9440042011723313,
2.709505494868803
],
[
0.8226887170799797,
13.30784045882767,
0.2750317651311973
],
[
-0.8226887170799797,
15.39109269882767,
3.3328669251311975
],
[
-0.8226887170799799,
6.027256441172332,
5.7673406548688035
],
[
-2.513237976372869,
10.94922882460162,
3.991266666427148
],
[
-2.51323797637287,
10.46912031539838,
5.108940913572853
],
[
2.51323797637287,
8.38586807539838,
2.0511057535728523
],
[
2.513237976372869,
8.86597658460162,
0.9334315064271479
],
[
-1.875272523746855,
10.858549186603504,
1.7941301619326562
],
[
-1.875272523746855,
6.393295473396496,
1.190407098067344
],
[
1.875272523746855,
8.476547713396496,
4.248242258067345
],
[
1.875272523746855,
12.941801426603504,
4.851965321932656
],
[
0.1956804036733767,
5.014135041807509,
2.492598664981512
],
[
0.1956804036733768,
12.237709618192492,
0.49193859501848797
],
[
-0.1956804036733768,
14.32096185819249,
3.5497737550184882
],
[
-0.1956804036733767,
7.09738728180751,
5.550433824981512
],
[
-0.9192763046927426,
13.987637881334688,
5.832066818766288
],
[
-0.9192763046927429,
7.43071125866531,
3.2681407612337123
],
[
0.9192763046927429,
5.34745901866531,
0.21030560123371222
],
[
0.9192763046927426,
11.90438564133469,
2.774231658766288
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.72015209,
0,
0
],
[
0,
0.39172377,
0.5920476
],
[
0,
0.59204764,
-2.12309813
]
] | -146.96328 | -158.48328 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.02225769,
-0.05867877,
0.06142575
],
[
0.02225769,
0.05867877,
-0.06142575
],
[
-0.02225769,
0.05867877,
-0.06142575
],
[
-0.02225769,
-0.05867877,
0.06142575
],
[
-0.00900131,
0.01370987,
-0.01540472
],
[
-0.00900131,
-0.01370987,
0.01540472
],
[
0.00900131,
-0.01370987,
0.01540472
],
[
0.00900131,
0.01370987,
-0.01540472
],
[
-0.00691083,
0.02141366,
-0.02496828
],
[
-0.00691083,
-0.02141366,
0.02496828
],
[
0.00691083,
-0.02141366,
0.02496828
],
[
0.00691083,
0.02141366,
-0.02496828
],
[
-0.01602939,
0.02775899,
-0.01174942
],
[
-0.01602939,
-0.02775899,
0.01174942
],
[
0.01602939,
-0.02775899,
0.01174942
],
[
0.01602939,
0.02775899,
-0.01174942
],
[
-0.01919127,
0.0711865,
0.01052691
],
[
-0.01919127,
-0.0711865,
-0.01052691
],
[
0.01919127,
-0.0711865,
-0.01052691
],
[
0.01919127,
0.0711865,
0.01052691
]
] |
pbe
| true | 15 |
agm005266151-pbe-355
| 355 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.3649409,
7.59300992,
-0.03539997
],
[
-3.3649409,
7.59300992,
-0.03539997
],
[
0,
4.17229802,
6.11555848
]
] |
agm005266151
|
[
[
1.68247045,
3.79650496,
-0.017699985
],
[
-1.68247045,
5.88265397,
3.0400792549999998
],
[
0.8224800202562609,
3.948805115426307,
2.710047408323098
],
[
0.8224800202562608,
13.323363734573693,
0.2769318916769023
],
[
-0.8224800202562608,
15.409512744573693,
3.334711131676902
],
[
-0.8224800202562609,
6.034954125426307,
5.767826648323098
],
[
-2.512926187775077,
10.962698481528427,
3.9923366337856825
],
[
-2.512926187775077,
10.481768388471574,
5.110201146214318
],
[
2.512926187775077,
8.395619378471574,
2.052421906214317
],
[
2.512926187775077,
8.876549471528428,
0.9345573937856826
],
[
-1.8753957023653278,
10.872091378217029,
1.7958203352791502
],
[
-1.875395702365328,
6.400077471782974,
1.1911589647208496
],
[
1.875395702365328,
8.486226481782975,
4.24893820472085
],
[
1.8753957023653278,
12.958240388217028,
4.85359957527915
],
[
0.19606571805788908,
5.019428962483305,
2.493060006534935
],
[
0.19606571805788908,
12.252739887516697,
0.4939192934650651
],
[
-0.19606571805788908,
14.338888897516696,
3.5516985334650646
],
[
-0.19606571805788908,
7.105577972483305,
5.5508392465349345
],
[
-0.9194237993382162,
14.006078334954875,
5.833818951045512
],
[
-0.919423799338216,
7.438388535045124,
3.268718828954488
],
[
0.919423799338216,
5.352239525045124,
0.21093958895448778
],
[
0.9194237993382162,
11.919929324954875,
2.776039711045512
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.70354201,
0,
0
],
[
0,
0.17440434,
0.72116275
],
[
0,
0.7211627,
-1.93286519
]
] | -146.96391 | -158.48391 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01195732,
-0.03766908,
0.04997551
],
[
0.01195732,
0.03766908,
-0.04997551
],
[
-0.01195732,
0.03766908,
-0.04997551
],
[
-0.01195732,
-0.03766908,
0.04997551
],
[
-0.00983618,
-0.01192296,
0.04597674
],
[
-0.00983618,
0.01192296,
-0.04597674
],
[
0.00983618,
0.01192296,
-0.04597674
],
[
0.00983618,
-0.01192296,
0.04597674
],
[
0.00345575,
0.01012113,
-0.03538746
],
[
0.00345575,
-0.01012113,
0.03538746
],
[
-0.00345575,
-0.01012113,
0.03538746
],
[
-0.00345575,
0.01012113,
-0.03538746
],
[
-0.01594809,
0.02820933,
-0.00852207
],
[
-0.01594809,
-0.02820933,
0.00852207
],
[
0.01594809,
-0.02820933,
0.00852207
],
[
0.01594809,
0.02820933,
-0.00852207
],
[
-0.01684617,
0.07441168,
0.0117813
],
[
-0.01684617,
-0.07441168,
-0.0117813
],
[
0.01684617,
-0.07441168,
-0.0117813
],
[
0.01684617,
0.07441168,
0.0117813
]
] |
pbe
| true | 15 |
agm005266151-pbe-356
| 356 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36350425,
7.61043733,
-0.03290201
],
[
-3.36350425,
7.61043733,
-0.03290201
],
[
0,
4.18388511,
6.1153348
]
] |
agm005266151
|
[
[
1.681752125,
3.805218665,
-0.016451005
],
[
-1.681752125,
5.89716122,
3.041216395
],
[
0.8220626714630925,
3.958406308353415,
2.711130926991861
],
[
0.8220626714630925,
13.354410906646583,
0.28073245300813915
],
[
-0.8220626714630925,
15.446353461646584,
3.338399853008139
],
[
-0.8220626714630925,
6.050348863353415,
5.7687983269918615
],
[
-2.51230236399267,
10.989638725526824,
3.994476893420914
],
[
-2.51230236399267,
10.507063599473177,
5.112721286579086
],
[
2.51230236399267,
8.415121044473176,
2.0550538865790866
],
[
2.51230236399267,
8.897696170526824,
0.9368094934209136
],
[
-1.8756416302066325,
10.899179429925162,
1.799201145423633
],
[
-1.8756416302066328,
6.4136377850748385,
1.1926622345763673
],
[
1.8756416302066328,
8.505580340074838,
4.250329634576366
],
[
1.8756416302066325,
12.991121984925162,
4.856868545423633
],
[
0.196835968564675,
5.030012817113867,
2.493982151022238
],
[
0.19683596856467522,
12.282804397886133,
0.497881228977762
],
[
-0.19683596856467522,
14.374746952886134,
3.5555486289777622
],
[
-0.196835968564675,
7.121955372113867,
5.551649551022239
],
[
-0.9197184856823801,
14.04296577397534,
5.837324010751332
],
[
-0.91971848568238,
7.453736551024662,
3.269874169248668
],
[
0.91971848568238,
5.3617939960246614,
0.2122067692486678
],
[
0.9197184856823801,
11.95102321897534,
2.7796566107513323
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.63328766,
0,
0
],
[
0,
-0.29211469,
0.97926467
],
[
0,
0.97926463,
-1.51796459
]
] | -146.964597 | -158.484597 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00867969,
0.00454614,
0.02734953
],
[
-0.00867969,
-0.00454614,
-0.02734953
],
[
0.00867969,
-0.00454614,
-0.02734953
],
[
0.00867969,
0.00454614,
0.02734953
],
[
-0.0116768,
-0.06344797,
0.16900348
],
[
-0.0116768,
0.06344797,
-0.16900348
],
[
0.0116768,
0.06344797,
-0.16900348
],
[
0.0116768,
-0.06344797,
0.16900348
],
[
0.02389353,
-0.01279467,
-0.0566382
],
[
0.02389353,
0.01279467,
0.0566382
],
[
-0.02389353,
0.01279467,
0.0566382
],
[
-0.02389353,
-0.01279467,
-0.0566382
],
[
-0.0162682,
0.02900832,
-0.00198453
],
[
-0.0162682,
-0.02900832,
0.00198453
],
[
0.0162682,
-0.02900832,
0.00198453
],
[
0.0162682,
0.02900832,
-0.00198453
],
[
-0.01348194,
0.08277342,
0.01459931
],
[
-0.01348194,
-0.08277342,
-0.01459931
],
[
0.01348194,
-0.08277342,
-0.01459931
],
[
0.01348194,
0.08277342,
0.01459931
]
] |
pbe
| true | 15 |
agm005266151-pbe-357
| 357 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36317552,
7.61398697,
-0.03226687
],
[
-3.36317552,
7.61398697,
-0.03226687
],
[
0,
4.18634635,
6.11520636
]
] |
agm005266151
|
[
[
1.68158776,
3.806993485,
-0.016133435
],
[
-1.68158776,
5.90016666,
3.041469745
],
[
0.8219529671558976,
3.9604146629417496,
2.7113998539591626
],
[
0.8219529671558976,
13.36073245205825,
0.2816695860408374
],
[
-0.8219529671558976,
15.453905627058251,
3.3392727660408372
],
[
-0.8219529671558976,
6.05358783794175,
5.769003033959163
],
[
-2.5121701310638898,
10.99507793172119,
3.9953012837296646
],
[
-2.5121701310638898,
10.51241553327881,
5.112974516270335
],
[
2.5121701310638898,
8.41924235827881,
2.0553713362703356
],
[
2.5121701310638898,
8.901904756721189,
0.9376981037296643
],
[
-1.8756295348019199,
10.904706117506075,
1.799922390874368
],
[
-1.87562953480192,
6.416440997493927,
1.193147049125632
],
[
1.87562953480192,
8.509614172493928,
4.250750229125632
],
[
1.8756295348019199,
12.997879292506074,
4.857525570874368
],
[
0.19696232279173276,
5.03226029968422,
2.494187225136092
],
[
0.19696232279173254,
12.28888681531578,
0.4988822148639081
],
[
-0.19696232279173254,
14.382059990315781,
3.5564853948639086
],
[
-0.19696232279173276,
7.125433474684219,
5.551790405136092
],
[
-0.919793998539165,
14.050730667432187,
5.838151753317905
],
[
-0.9197939985391649,
7.45676279756781,
3.270124046682095
],
[
0.9197939985391649,
5.36358962256781,
0.21252086668209502
],
[
0.919793998539165,
11.957557492432189,
2.780548573317905
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.68187059,
0,
0
],
[
0,
-0.34222996,
0.76238571
],
[
0,
0.76238571,
-1.0203284
]
] | -146.964977 | -158.484977 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01126931,
0.01057855,
0.02292517
],
[
-0.01126931,
-0.01057855,
-0.02292517
],
[
0.01126931,
-0.01057855,
-0.02292517
],
[
0.01126931,
0.01057855,
0.02292517
],
[
-0.01207549,
-0.0453434,
0.12685674
],
[
-0.01207549,
0.0453434,
-0.12685674
],
[
0.01207549,
0.0453434,
-0.12685674
],
[
0.01207549,
-0.0453434,
0.12685674
],
[
0.023582,
-0.01442434,
-0.05279633
],
[
0.023582,
0.01442434,
0.05279633
],
[
-0.023582,
0.01442434,
0.05279633
],
[
-0.023582,
-0.01442434,
-0.05279633
],
[
-0.0133254,
0.02452585,
0.00034882
],
[
-0.0133254,
-0.02452585,
-0.00034882
],
[
0.0133254,
-0.02452585,
-0.00034882
],
[
0.0133254,
0.02452585,
0.00034882
],
[
-0.01135856,
0.08073534,
0.0146698
],
[
-0.01135856,
-0.08073534,
-0.0146698
],
[
0.01135856,
-0.08073534,
-0.0146698
],
[
0.01135856,
0.08073534,
0.0146698
]
] |
pbe
| true | 15 |
agm005266151-pbe-358
| 358 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36218933,
7.62463587,
-0.03036145
],
[
-3.36218933,
7.62463587,
-0.03036145
],
[
0,
4.19373008,
6.11482106
]
] |
agm005266151
|
[
[
1.681094665,
3.812317935,
-0.015180725
],
[
-1.681094665,
5.909182975,
3.042229805
],
[
0.8216239559158544,
3.966439597956927,
2.712206560417935
],
[
0.8216239559158542,
13.379697182043072,
0.28448106958206526
],
[
-0.8216239559158542,
15.476562222043073,
3.3418915995820653
],
[
-0.8216239559158544,
6.063304637956927,
5.769617090417934
],
[
-2.511773299378584,
11.011395824953818,
3.9977742984610973
],
[
-2.511773299378584,
10.528471035046183,
5.113734391538902
],
[
2.511773299378584,
8.431605995046183,
2.0563238615389023
],
[
2.511773299378584,
8.914530784953817,
0.9403637684610976
],
[
-1.8755930141381578,
10.921287270041406,
1.8020863429420761
],
[
-1.8755930141381576,
6.424849509958593,
1.1946012870579241
],
[
1.8755930141381576,
8.521714549958592,
4.252011817057924
],
[
1.8755930141381578,
13.018152310041405,
4.859496872942075
],
[
0.19734114746045928,
5.039001474032047,
2.494802409841451
],
[
0.19734114746045917,
12.30713530596795,
0.5018852201585488
],
[
-0.19734114746045917,
14.404000345967951,
3.5592957501585487
],
[
-0.19734114746045928,
7.135866514032047,
5.552212939841451
],
[
-0.9200203767281154,
14.074028455121496,
5.84063531295939
],
[
-0.9200203767281157,
7.465838404878504,
3.2708733770406098
],
[
0.9200203767281157,
5.368973364878504,
0.21346284704061008
],
[
0.9200203767281154,
11.977163415121495,
2.78322478295939
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.78238516,
0,
0
],
[
0,
-0.42039582,
0.12340098
],
[
0,
0.12340091,
0.50667281
]
] | -146.965758 | -158.485758 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01903314,
0.02983187,
0.00848053
],
[
-0.01903314,
-0.02983187,
-0.00848053
],
[
0.01903314,
-0.02983187,
-0.00848053
],
[
0.01903314,
0.02983187,
0.00848053
],
[
-0.01275306,
0.00960471,
-0.00081646
],
[
-0.01275306,
-0.00960471,
0.00081646
],
[
0.01275306,
-0.00960471,
0.00081646
],
[
0.01275306,
0.00960471,
-0.00081646
],
[
0.02310264,
-0.01813409,
-0.04263156
],
[
0.02310264,
0.01813409,
0.04263156
],
[
-0.02310264,
0.01813409,
0.04263156
],
[
-0.02310264,
-0.01813409,
-0.04263156
],
[
-0.00398681,
0.01034888,
0.00729988
],
[
-0.00398681,
-0.01034888,
-0.00729988
],
[
0.00398681,
-0.01034888,
-0.00729988
],
[
0.00398681,
0.01034888,
0.00729988
],
[
-0.00453154,
0.07630991,
0.01562872
],
[
-0.00453154,
-0.07630991,
-0.01562872
],
[
0.00453154,
-0.07630991,
-0.01562872
],
[
0.00453154,
0.07630991,
0.01562872
]
] |
pbe
| true | 15 |
agm005266151-pbe-359
| 359 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.5508347,
7.14008795,
-0.00968088
],
[
-3.5508347,
7.14008795,
-0.00968088
],
[
0,
3.94895352,
6.1017398
]
] |
agm005266151
|
[
[
1.77541735,
3.570043975,
-0.00484044
],
[
-1.77541735,
5.544520735,
3.0460294599999997
],
[
0.791089965696142,
3.7451017436894647,
2.68898262451437
],
[
0.7910899656961421,
12.509550916310536,
0.34252551548563004
],
[
-0.7910899656961421,
14.484027676310536,
3.39339541548563
],
[
-0.791089965696142,
5.7195785036894655,
5.73985252451437
],
[
-2.731128131356394,
10.340773370887545,
4.007395393365263
],
[
-2.7311281313563938,
9.862832809112454,
5.125852546634736
],
[
2.7311281313563938,
7.8883560491124545,
2.0749826466347363
],
[
2.731128131356394,
8.366296610887545,
0.9565254933652635
],
[
-2.0313125136571397,
10.230137083239502,
1.8393947554479155
],
[
-2.0313125136571397,
6.024515576760497,
1.1921133845520844
],
[
2.0313125136571397,
7.998992336760498,
4.242983284552084
],
[
2.0313125136571397,
12.204613843239501,
4.890264655447916
],
[
0.11041608117260704,
4.770356571068813,
2.4224642856754444
],
[
0.1104160811726067,
11.484296088931186,
0.6090438543245555
],
[
-0.1104160811726067,
13.458772848931186,
3.6599137543245557
],
[
-0.11041608117260704,
6.744833331068813,
5.473334185675444
],
[
-1.095076427246284,
13.068393438258507,
5.887224849591838
],
[
-1.0950764272462838,
7.135212741741493,
3.246023090408162
],
[
1.0950764272462838,
5.160735981741493,
0.19515319040816198
],
[
1.095076427246284,
11.093916678258507,
2.8363549495918376
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.35327596,
0,
0
],
[
0,
1.79125965,
-1.56925951
],
[
0,
-1.56925953,
1.35027306
]
] | -146.819613 | -158.339613 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.04743573,
-0.00296589,
-0.02552634
],
[
0.04743573,
0.00296589,
0.02552634
],
[
-0.04743573,
0.00296589,
0.02552634
],
[
-0.04743573,
-0.00296589,
-0.02552634
],
[
0.0112108,
-0.07479111,
0.08507961
],
[
0.0112108,
0.07479111,
-0.08507961
],
[
-0.0112108,
0.07479111,
-0.08507961
],
[
-0.0112108,
-0.07479111,
0.08507961
],
[
0.01465369,
0.01709917,
-0.03972041
],
[
0.01465369,
-0.01709917,
0.03972041
],
[
-0.01465369,
-0.01709917,
0.03972041
],
[
-0.01465369,
0.01709917,
-0.03972041
],
[
-0.00449217,
0.05408659,
0.01541747
],
[
-0.00449217,
-0.05408659,
-0.01541747
],
[
0.00449217,
-0.05408659,
-0.01541747
],
[
0.00449217,
0.05408659,
0.01541747
],
[
0.06620344,
-0.0105379,
-0.0102344
],
[
0.06620344,
0.0105379,
0.0102344
],
[
-0.06620344,
0.0105379,
0.0102344
],
[
-0.06620344,
-0.0105379,
-0.0102344
]
] |
pbe
| true | 15 |
agm005266151-pbe-36
| 36 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36021695,
7.64593367,
-0.0265506
],
[
-3.36021695,
7.64593367,
-0.0265506
],
[
0,
4.20849754,
6.11405044
]
] |
agm005266151
|
[
[
1.680108475,
3.822966835,
-0.0132753
],
[
-1.680108475,
5.927215605,
3.0437499199999998
],
[
0.820965987480813,
3.978488803733841,
2.713819347217277
],
[
0.8209659874808128,
13.41762730626616,
0.29010467278272234
],
[
-0.8209659874808128,
15.52187607626616,
3.347129892782722
],
[
-0.820965987480813,
6.082737573733841,
5.770844567217278
],
[
-2.5109792059734803,
11.04403175912221,
4.002719659836593
],
[
-2.5109792059734803,
10.560581890877787,
5.115254800163407
],
[
2.5109792059734803,
8.456333120877787,
2.0582295801634074
],
[
2.5109792059734803,
8.939782989122211,
0.9456944398365928
],
[
-1.8755194387688763,
10.954454225361792,
1.8064151972377218
],
[
-1.8755194387688763,
6.441661884638208,
1.1975088227622779
],
[
1.8755194387688763,
8.545910654638208,
4.254534042762278
],
[
1.8755194387688763,
13.058702995361791,
4.8634404172377215
],
[
0.19809826367246952,
5.052478613096884,
2.496031832896553
],
[
0.19809826367246952,
12.343637496903115,
0.5078921871034467
],
[
-0.19809826367246952,
14.447886266903115,
3.5649174071034473
],
[
-0.19809826367246952,
7.156727383096884,
5.553057052896553
],
[
-0.9204725624515362,
14.12063643146827,
5.84560429584136
],
[
-0.920472562451536,
7.483977218531731,
3.27237016415864
],
[
0.920472562451536,
5.379728448531731,
0.21534494415863997
],
[
0.9204725624515362,
12.016387661468269,
2.7885790758413598
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.9512689,
0,
0
],
[
0,
-0.70930967,
-1.18826949
],
[
0,
-1.18826955,
3.57710278
]
] | -146.965635 | -158.485635 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.03450532,
0.06808063,
-0.01953997
],
[
-0.03450532,
-0.06808063,
0.01953997
],
[
0.03450532,
-0.06808063,
0.01953997
],
[
0.03450532,
0.06808063,
-0.01953997
],
[
-0.01452918,
0.12087357,
-0.2577383
],
[
-0.01452918,
-0.12087357,
0.2577383
],
[
0.01452918,
-0.12087357,
0.2577383
],
[
0.01452918,
0.12087357,
-0.2577383
],
[
0.02187679,
-0.02623948,
-0.02140969
],
[
0.02187679,
0.02623948,
0.02140969
],
[
-0.02187679,
0.02623948,
0.02140969
],
[
-0.02187679,
-0.02623948,
-0.02140969
],
[
0.01489559,
-0.01816088,
0.02130829
],
[
0.01489559,
0.01816088,
-0.02130829
],
[
-0.01489559,
0.01816088,
-0.02130829
],
[
-0.01489559,
-0.01816088,
0.02130829
],
[
0.00756271,
0.06839046,
0.01659263
],
[
0.00756271,
-0.06839046,
-0.01659263
],
[
-0.00756271,
-0.06839046,
-0.01659263
],
[
-0.00756271,
0.06839046,
0.01659263
]
] |
pbe
| true | 15 |
agm005266151-pbe-360
| 360 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36132762,
7.63394061,
-0.02869654
],
[
-3.36132762,
7.63394061,
-0.02869654
],
[
0,
4.2001818,
6.11448438
]
] |
agm005266151
|
[
[
1.68066381,
3.816970305,
-0.01434827
],
[
-1.68066381,
5.9170612049999995,
3.04289392
],
[
0.8213365048069609,
3.971703539632204,
2.71291100099712
],
[
0.8213365048069603,
13.396268580367796,
0.2869381090028802
],
[
-0.8213365048069603,
15.496359480367795,
3.3441802990028804
],
[
-0.8213365048069609,
6.071794439632204,
5.77015319099712
],
[
-2.5114262169455173,
11.025654098012334,
3.999934632251642
],
[
-2.5114262169455173,
10.542499821987665,
5.114398857748359
],
[
2.5114262169455173,
8.442408921987665,
2.0571566677483584
],
[
2.5114262169455173,
8.925563198012334,
0.9426924422516417
],
[
-1.875560677808878,
10.935778996160892,
1.8039778555365988
],
[
-1.875560677808878,
6.432193123839107,
1.1958712544634011
],
[
1.875560677808878,
8.532284023839107,
4.253113444463401
],
[
1.875560677808878,
13.035869896160891,
4.8612200455366
],
[
0.19767174459901682,
5.044887796873456,
2.495339239926785
],
[
0.19767174459901637,
12.323084323126542,
0.5045098700732149
],
[
-0.19767174459901637,
14.423175223126542,
3.561752060073215
],
[
-0.19767174459901682,
7.144978696873457,
5.552581429926786
],
[
-0.9202177550293393,
14.094394880075946,
5.842806768171313
],
[
-0.9202177550293392,
7.473759039924051,
3.2715267218286885
],
[
0.9202177550293392,
5.373668139924051,
0.21428453182868842
],
[
0.9202177550293393,
11.994303980075946,
2.7855645781713116
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.86268054,
0,
0
],
[
0,
-0.56881123,
-0.44980923
],
[
0,
-0.4498093,
1.84120387
]
] | -146.965979 | -158.485979 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.0256405,
0.04628402,
-0.00335592
],
[
-0.0256405,
-0.04628402,
0.00335592
],
[
0.0256405,
-0.04628402,
0.00335592
],
[
0.0256405,
0.04628402,
-0.00335592
],
[
-0.01362572,
0.05778865,
-0.1122521
],
[
-0.01362572,
-0.05778865,
0.1122521
],
[
0.01362572,
-0.05778865,
0.1122521
],
[
0.01362572,
0.05778865,
-0.1122521
],
[
0.02240533,
-0.02191907,
-0.03315191
],
[
0.02240533,
0.02191907,
0.03315191
],
[
-0.02240533,
0.02191907,
0.03315191
],
[
-0.02240533,
-0.02191907,
-0.03315191
],
[
0.00405875,
-0.00186394,
0.01339301
],
[
0.00405875,
0.00186394,
-0.01339301
],
[
-0.00405875,
0.00186394,
-0.01339301
],
[
-0.00405875,
-0.00186394,
0.01339301
],
[
0.00044221,
0.07314958,
0.01589117
],
[
0.00044221,
-0.07314958,
-0.01589117
],
[
-0.00044221,
-0.07314958,
-0.01589117
],
[
-0.00044221,
0.07314958,
0.01589117
]
] |
pbe
| true | 15 |
agm005266151-pbe-361
| 361 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.36059347,
7.64066691,
-0.02758716
],
[
-3.36059347,
7.64066691,
-0.02758716
],
[
0,
4.20477146,
6.11456178
]
] |
agm005266151
|
[
[
1.680296735,
3.820333455,
-0.01379358
],
[
-1.680296735,
5.922719185,
3.0434873099999997
],
[
0.8210015878402832,
3.9756522928672124,
2.7135296607991903
],
[
0.821001587840283,
13.408067257132789,
0.28857690920080925
],
[
-0.821001587840283,
15.510452987132787,
3.345857799200809
],
[
-0.8210015878402832,
6.078038022867212,
5.770810550799191
],
[
-2.511148961631416,
11.036134532739936,
4.001181087483032
],
[
-2.5111489616314167,
10.552356477260062,
5.115487262516967
],
[
2.5111489616314167,
8.449970747260064,
2.0582063725169677
],
[
2.511148961631416,
8.933748802739935,
0.9439001974830324
],
[
-1.8753951151465478,
10.946156824355052,
1.8051926626754604
],
[
-1.875395115146548,
6.437562725644949,
1.1969139073245396
],
[
1.875395115146548,
8.53994845564495,
4.254194797324539
],
[
1.8753951151465478,
13.048542554355052,
4.8624735526754606
],
[
0.19792524416164237,
5.049095830838658,
2.4958691255837793
],
[
0.19792524416164214,
12.33462371916134,
0.506237444416221
],
[
-0.19792524416164214,
14.43700944916134,
3.5635183344162207
],
[
-0.19792524416164237,
7.151481560838658,
5.553150015583779
],
[
-0.9203343792918246,
14.109350751853071,
5.844625896966585
],
[
-0.9203343792918248,
7.479140258146927,
3.2720424530334142
],
[
0.9203343792918248,
5.376754528146928,
0.21476156303341437
],
[
0.9203343792918246,
12.006965021853073,
2.7873450069665857
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.83870567,
0,
0
],
[
0,
-0.43888083,
-0.64055672
],
[
0,
-0.64055674,
1.85830605
]
] | -146.96639 | -158.48639 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01975326,
0.04632694,
-0.02431471
],
[
-0.01975326,
-0.04632694,
0.02431471
],
[
0.01975326,
-0.04632694,
0.02431471
],
[
0.01975326,
0.04632694,
-0.02431471
],
[
-0.01336392,
0.04949649,
-0.09556302
],
[
-0.01336392,
-0.04949649,
0.09556302
],
[
0.01336392,
-0.04949649,
0.09556302
],
[
0.01336392,
0.04949649,
-0.09556302
],
[
0.01651194,
-0.01846696,
-0.0200278
],
[
0.01651194,
0.01846696,
0.0200278
],
[
-0.01651194,
0.01846696,
0.0200278
],
[
-0.01651194,
-0.01846696,
-0.0200278
],
[
0.00465724,
-0.0008313,
0.01464599
],
[
0.00465724,
0.0008313,
-0.01464599
],
[
-0.00465724,
0.0008313,
-0.01464599
],
[
-0.00465724,
-0.0008313,
0.01464599
],
[
0.00696712,
0.06473028,
0.01546529
],
[
0.00696712,
-0.06473028,
-0.01546529
],
[
-0.00696712,
-0.06473028,
-0.01546529
],
[
-0.00696712,
0.06473028,
0.01546529
]
] |
pbe
| true | 15 |
agm005266151-pbe-362
| 362 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.35944907,
7.65115192,
-0.02585785
],
[
-3.35944907,
7.65115192,
-0.02585785
],
[
0,
4.21192586,
6.11468243
]
] |
agm005266151
|
[
[
1.679724535,
3.82557596,
-0.012928925
],
[
-1.679724535,
5.931538890000001,
3.04441229
],
[
0.8204795565512374,
3.9818079871933056,
2.714494087666971
],
[
0.8204795565512373,
13.426458782806694,
0.29113142733302916
],
[
-0.8204795565512373,
15.532421712806695,
3.348472642333029
],
[
-0.8204795565512374,
6.087770917193305,
5.771835302666971
],
[
-2.510716647553535,
11.052472074131634,
4.003124215504986
],
[
-2.5107166475535347,
10.567720555868366,
5.117183729495014
],
[
2.5107166475535347,
8.461757625868366,
2.059842514495014
],
[
2.510716647553535,
8.946509144131634,
0.9457830005049862
],
[
-1.8751369685037602,
10.962334834203178,
1.8070864886820264
],
[
-1.87513696850376,
6.445931935796823,
1.1985390263179736
],
[
1.87513696850376,
8.551894865796823,
4.255880241317975
],
[
1.8751369685037602,
13.068297764203177,
4.864427703682026
],
[
0.19832020464629851,
5.0556542469931465,
2.496694994665849
],
[
0.1983202046462984,
12.352612523006854,
0.5089305203341512
],
[
-0.1983202046462984,
14.458575453006855,
3.5662717353341518
],
[
-0.19832020464629851,
7.161617176993146,
5.554036209665848
],
[
-0.9205160215560324,
14.132667846305754,
5.847462031632557
],
[
-0.9205160215560322,
7.487524783694247,
3.2728459133674432
],
[
0.9205160215560322,
5.3815618536942464,
0.21550469836744301
],
[
0.9205160215560324,
12.026704916305754,
2.790120816632557
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.81597978,
0,
0
],
[
0,
-0.25360656,
-0.93050798
],
[
0,
-0.93050803,
1.87039482
]
] | -146.966823 | -158.486823 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01062273,
0.04662243,
-0.05682008
],
[
-0.01062273,
-0.04662243,
0.05682008
],
[
0.01062273,
-0.04662243,
0.05682008
],
[
0.01062273,
0.04662243,
-0.05682008
],
[
-0.01290749,
0.03633583,
-0.06910222
],
[
-0.01290749,
-0.03633583,
0.06910222
],
[
0.01290749,
-0.03633583,
0.06910222
],
[
0.01290749,
0.03633583,
-0.06910222
],
[
0.00728652,
-0.01333382,
0.00046665
],
[
0.00728652,
0.01333382,
-0.00046665
],
[
-0.00728652,
0.01333382,
-0.00046665
],
[
-0.00728652,
-0.01333382,
0.00046665
],
[
0.00570987,
0.00031152,
0.01667213
],
[
0.00570987,
-0.00031152,
-0.01667213
],
[
-0.00570987,
-0.00031152,
-0.01667213
],
[
-0.00570987,
0.00031152,
0.01667213
],
[
0.01702849,
0.05185733,
0.01490059
],
[
0.01702849,
-0.05185733,
-0.01490059
],
[
-0.01702849,
-0.05185733,
-0.01490059
],
[
-0.01702849,
0.05185733,
0.01490059
]
] |
pbe
| true | 15 |
agm005266151-pbe-363
| 363 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.35716027,
7.67212193,
-0.02239922
],
[
-3.35716027,
7.67212193,
-0.02239922
],
[
0,
4.22623465,
6.11492372
]
] |
agm005266151
|
[
[
1.678580135,
3.836060965,
-0.01119961
],
[
-1.678580135,
5.949178290000001,
3.0462622500000003
],
[
0.8194358552348228,
3.9941202294589173,
2.716422762292592
],
[
0.8194358552348229,
13.463240955541083,
0.2962406577074082
],
[
-0.8194358552348229,
15.576358280541085,
3.3537025177074082
],
[
-0.8194358552348228,
6.1072375544589175,
5.7738846222925915
],
[
-2.5098513901938864,
11.085148424309342,
4.00701061872004
],
[
-2.5098513901938864,
10.59844741069066,
5.12057652127996
],
[
2.5098513901938864,
8.48533008569066,
2.0631146612799602
],
[
2.5098513901938864,
8.97203109930934,
0.9495487587200397
],
[
-1.8746199982445286,
10.994694613165812,
1.8108750616180254
],
[
-1.8746199982445289,
6.462666571834189,
1.2017883583819746
],
[
1.8746199982445289,
8.575783896834189,
4.259250218381975
],
[
1.8746199982445286,
13.107811938165812,
4.868336921618026
],
[
0.19910951630900564,
5.068765787726742,
2.4983458046701306
],
[
0.1991095163090062,
12.388595397273258,
0.5143176153298699
],
[
-0.1991095163090062,
14.50171272227326,
3.5717794753298695
],
[
-0.19910951630900564,
7.181883112726742,
5.55580766467013
],
[
-0.920878596396167,
14.179316846078823,
5.853136536958558
],
[
-0.9208785963961669,
7.504278988921177,
3.274450603041442
],
[
0.9208785963961669,
5.391161663921177,
0.21698874304144197
],
[
0.920878596396167,
12.066199521078824,
2.795674676958558
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.71354769,
0,
0
],
[
0,
0.14486018,
-1.51439178
],
[
0,
-1.51439175,
1.94759191
]
] | -146.967086 | -158.487086 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00769721,
0.04729408,
-0.12188114
],
[
0.00769721,
-0.04729408,
0.12188114
],
[
-0.00769721,
-0.04729408,
0.12188114
],
[
-0.00769721,
0.04729408,
-0.12188114
],
[
-0.01194964,
0.00988326,
-0.01620063
],
[
-0.01194964,
-0.00988326,
0.01620063
],
[
0.01194964,
-0.00988326,
0.01620063
],
[
0.01194964,
0.00988326,
-0.01620063
],
[
-0.01099949,
-0.00334585,
0.04118496
],
[
-0.01099949,
0.00334585,
-0.04118496
],
[
0.01099949,
0.00334585,
-0.04118496
],
[
0.01099949,
-0.00334585,
0.04118496
],
[
0.00774772,
0.00278383,
0.02062286
],
[
0.00774772,
-0.00278383,
-0.02062286
],
[
-0.00774772,
-0.00278383,
-0.02062286
],
[
-0.00774772,
0.00278383,
0.02062286
],
[
0.03696596,
0.02593133,
0.01365658
],
[
0.03696596,
-0.02593133,
-0.01365658
],
[
-0.03696596,
-0.02593133,
-0.01365658
],
[
-0.03696596,
0.02593133,
0.01365658
]
] |
pbe
| true | 15 |
agm005266151-pbe-364
| 364 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.35612405,
7.68027611,
-0.0218476
],
[
-3.35612405,
7.68027611,
-0.0218476
],
[
0,
4.23116745,
6.11538902
]
] |
agm005266151
|
[
[
1.678062025,
3.840138055,
-0.0109238
],
[
-1.678062025,
5.95572178,
3.04677071
],
[
0.819054556684628,
3.998979438517421,
2.7162047704503642
],
[
0.8190545566846277,
13.47715650648258,
0.2977945395496361
],
[
-0.8190545566846277,
15.59274023148258,
3.3554890495496363
],
[
-0.819054556684628,
6.1145631635174205,
5.773899280450364
],
[
-2.5094899733934084,
11.09750942478326,
4.0077877487981945
],
[
-2.5094899733934084,
10.60979397021674,
5.121600581201807
],
[
2.5094899733934084,
8.49421024521674,
2.0639060712018056
],
[
2.5094899733934084,
8.98192569978326,
0.9500932387981941
],
[
-1.8744151166181353,
11.007055109523794,
1.811765895458551
],
[
-1.8744151166181353,
6.469080835476206,
1.2022334145414495
],
[
1.8744151166181353,
8.584664560476206,
4.25992792454145
],
[
1.8744151166181353,
13.122638834523794,
4.86946040545855
],
[
0.19946029194734705,
5.073635913436087,
2.498948910366096
],
[
0.19946029194734738,
12.402500031563912,
0.515050399633904
],
[
-0.19946029194734738,
14.518083756563913,
3.572744909633904
],
[
-0.19946029194734705,
7.189219638436088,
5.556643420366096
],
[
-0.9206978276117634,
14.19701561284803,
5.854751866102664
],
[
-0.9206978276117637,
7.51028778215197,
3.274636463897337
],
[
0.9206978276117637,
5.394704057151969,
0.216941953897337
],
[
0.9206978276117634,
12.08143188784803,
2.797057356102663
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.42760843,
0,
0
],
[
0,
0.62588509,
-1.01308749
],
[
0,
-1.01308746,
1.17347679
]
] | -146.967653 | -158.487653 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01044182,
0.02444515,
-0.08267686
],
[
0.01044182,
-0.02444515,
0.08267686
],
[
-0.01044182,
-0.02444515,
0.08267686
],
[
-0.01044182,
0.02444515,
-0.08267686
],
[
-0.01200767,
-0.00911455,
0.02534648
],
[
-0.01200767,
0.00911455,
-0.02534648
],
[
0.01200767,
0.00911455,
-0.02534648
],
[
0.01200767,
-0.00911455,
0.02534648
],
[
-0.00392365,
-0.00653565,
0.02624216
],
[
-0.00392365,
0.00653565,
-0.02624216
],
[
0.00392365,
0.00653565,
-0.02624216
],
[
0.00392365,
-0.00653565,
0.02624216
],
[
-0.00202024,
0.02511597,
0.01084986
],
[
-0.00202024,
-0.02511597,
-0.01084986
],
[
0.00202024,
-0.02511597,
-0.01084986
],
[
0.00202024,
0.02511597,
0.01084986
],
[
0.04528968,
0.0137277,
0.01174909
],
[
0.04528968,
-0.0137277,
-0.01174909
],
[
-0.04528968,
-0.0137277,
-0.01174909
],
[
-0.04528968,
0.0137277,
0.01174909
]
] |
pbe
| true | 15 |
agm005266151-pbe-365
| 365 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.35499172,
7.68918666,
-0.0212448
],
[
-3.35499172,
7.68918666,
-0.0212448
],
[
0,
4.23655781,
6.11589749
]
] |
agm005266151
|
[
[
1.67749586,
3.84459333,
-0.0106224
],
[
-1.67749586,
5.962872235,
3.047326345
],
[
0.8186379754306513,
4.004289800225482,
2.715966524059456
],
[
0.8186379754306512,
13.492362424774518,
0.29949262094054396
],
[
-0.8186379754306512,
15.610641329774518,
3.3574413659405438
],
[
-0.8186379754306513,
6.122568705225483,
5.773915269059456
],
[
-2.5090948729932725,
11.111017334168219,
4.008637084363249
],
[
-2.5090948729932725,
10.62219270083178,
5.12271955063675
],
[
2.5090948729932725,
8.50391379583178,
2.0647708056367504
],
[
2.5090948729932725,
8.992738429168218,
0.9506883393632497
],
[
-1.8741910396633064,
11.020562906623804,
1.8127394927176568
],
[
-1.8741910396633066,
6.476089318376196,
1.2027196522823436
],
[
1.8741910396633066,
8.594368223376195,
4.260668397282343
],
[
1.8741910396633064,
13.138841811623804,
4.870688237717657
],
[
0.19984343679352,
5.0789569419864495,
2.499607919885455
],
[
0.19984343679352046,
12.417695283013549,
0.5158512251145451
],
[
-0.19984343679352046,
14.53597418801355,
3.5737999701145453
],
[
-0.19984343679352,
7.19723584698645,
5.557556664885454
],
[
-0.9205002545881764,
14.216358912634632,
5.856517305833895
],
[
-0.9205002545881764,
7.5168511223653685,
3.274839329166104
],
[
0.9205002545881764,
5.398572217365368,
0.21689058416610407
],
[
0.9205002545881764,
12.098080007634632,
2.798568560833896
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.09534979,
0,
0
],
[
0,
1.18754299,
-0.46047333
],
[
0,
-0.46047335,
0.34698581
]
] | -146.967955 | -158.487955 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01334086,
-0.00062253,
-0.03958818
],
[
0.01334086,
0.00062253,
0.03958818
],
[
-0.01334086,
0.00062253,
0.03958818
],
[
-0.01334086,
-0.00062253,
-0.03958818
],
[
-0.01206427,
-0.0300606,
0.07096446
],
[
-0.01206427,
0.0300606,
-0.07096446
],
[
0.01206427,
0.0300606,
-0.07096446
],
[
0.01206427,
-0.0300606,
0.07096446
],
[
0.00365298,
-0.00997929,
0.0090578
],
[
0.00365298,
0.00997929,
-0.0090578
],
[
-0.00365298,
0.00997929,
-0.0090578
],
[
-0.00365298,
-0.00997929,
0.0090578
],
[
-0.0130312,
0.04941276,
0.00058908
],
[
-0.0130312,
-0.04941276,
-0.00058908
],
[
0.0130312,
-0.04941276,
-0.00058908
],
[
0.0130312,
0.04941276,
0.00058908
],
[
0.05398506,
0.0014197,
0.00993369
],
[
0.05398506,
-0.0014197,
-0.00993369
],
[
-0.05398506,
-0.0014197,
-0.00993369
],
[
-0.05398506,
0.0014197,
0.00993369
]
] |
pbe
| true | 15 |
agm005266151-pbe-366
| 366 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.35462775,
7.69205082,
-0.02105105
],
[
-3.35462775,
7.69205082,
-0.02105105
],
[
0,
4.23829046,
6.11606092
]
] |
agm005266151
|
[
[
1.677313875,
3.84602541,
-0.010525525
],
[
-1.677313875,
5.96517064,
3.047504935
],
[
0.8185040448381525,
4.005996777069778,
2.715889971890344
],
[
0.8185040448381526,
13.497250092930221,
0.30003838810965594
],
[
-0.8185040448381526,
15.616395322930222,
3.3580688481096557
],
[
-0.8185040448381525,
6.125142007069778,
5.773920431890343
],
[
-2.508967859340488,
11.115359315230373,
4.008910022834788
],
[
-2.5089678593404874,
10.626178014769627,
5.1230792571652115
],
[
2.5089678593404874,
8.507032784769628,
2.0650487971652116
],
[
2.508967859340488,
8.996214085230372,
0.950879562834788
],
[
-1.87411901609859,
11.024904930435738,
1.8130524028552277
],
[
-1.8741190160985903,
6.478341939564264,
1.202875957144772
],
[
1.8741190160985903,
8.597487169564264,
4.2609064171447715
],
[
1.87411901609859,
13.144050160435738,
4.871082862855228
],
[
0.1999665758364675,
5.080667097287838,
2.4998196864872697
],
[
0.1999665758364677,
12.422579772712163,
0.5161086735127299
],
[
-0.1999665758364677,
14.541725002712164,
3.57413913351273
],
[
-0.1999665758364675,
7.199812327287837,
5.5578501464872705
],
[
-0.920436790807605,
14.222576854134115,
5.857084749259914
],
[
-0.9204367908076051,
7.518960475865887,
3.274904530740086
],
[
0.9204367908076051,
5.399815245865887,
0.216874070740086
],
[
0.920436790807605,
12.103431624134116,
2.7990542892599137
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.03887756,
0,
0
],
[
0,
1.36406534,
-0.28520277
],
[
0,
-0.28520277,
0.10171129
]
] | -146.967975 | -158.487975 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01428326,
-0.00860163,
-0.02599815
],
[
0.01428326,
0.00860163,
0.02599815
],
[
-0.01428326,
0.00860163,
0.02599815
],
[
-0.01428326,
-0.00860163,
-0.02599815
],
[
-0.01210489,
-0.03669767,
0.08536023
],
[
-0.01210489,
0.03669767,
-0.08536023
],
[
0.01210489,
0.03669767,
-0.08536023
],
[
0.01210489,
-0.03669767,
0.08536023
],
[
0.00623538,
-0.0113686,
0.00365093
],
[
0.00623538,
0.0113686,
-0.00365093
],
[
-0.00623538,
0.0113686,
-0.00365093
],
[
-0.00623538,
-0.0113686,
0.00365093
],
[
-0.01667545,
0.05745322,
-0.00281409
],
[
-0.01667545,
-0.05745322,
0.00281409
],
[
0.01667545,
-0.05745322,
0.00281409
],
[
0.01667545,
0.05745322,
-0.00281409
],
[
0.05651788,
-0.00313226,
0.0092221
],
[
0.05651788,
0.00313226,
-0.0092221
],
[
-0.05651788,
0.00313226,
-0.0092221
],
[
-0.05651788,
-0.00313226,
0.0092221
]
] |
pbe
| true | 15 |
agm005266151-pbe-367
| 367 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.35394189,
7.69846146,
-0.02086826
],
[
-3.35394189,
7.69846146,
-0.02086826
],
[
0,
4.24196875,
6.11632414
]
] |
agm005266151
|
[
[
1.676970945,
3.84923073,
-0.01043413
],
[
-1.676970945,
5.970215104999999,
3.0477279399999997
],
[
0.8183877135913908,
4.009598739191304,
2.7154187332152646
],
[
0.8183877135913908,
13.508308555808696,
0.301006816784735
],
[
-0.8183877135913908,
15.629292930808695,
3.3591688867847345
],
[
-0.8183877135913908,
6.130583114191305,
5.773580803215265
],
[
-2.5088496215285643,
11.124560146679926,
4.010017728325263
],
[
-2.508849621528565,
10.635315898320073,
5.122731961674737
],
[
2.508849621528565,
8.514331523320074,
2.0645698916747373
],
[
2.5088496215285643,
9.003575771679927,
0.9518556583252628
],
[
-1.8739274931541714,
11.03439267743793,
1.8134332359003227
],
[
-1.8739274931541712,
6.48351461756207,
1.2029923140996772
],
[
1.8739274931541712,
8.60449899256207,
4.261154384099677
],
[
1.8739274931541714,
13.15537705243793,
4.871595305900323
],
[
0.2000428454813491,
5.08504488770688,
2.5000961397615256
],
[
0.20004284548134876,
12.432862407293118,
0.5163294102384738
],
[
-0.20004284548134876,
14.55384678229312,
3.5744914802384735
],
[
-0.2000428454813491,
7.206029262706881,
5.558258209761527
],
[
-0.9197744925360656,
14.236024110380598,
5.857964386828427
],
[
-0.9197744925360654,
7.5238519346194,
3.2747853031715732
],
[
0.9197744925360654,
5.4028675596194,
0.2166232331715732
],
[
0.9197744925360656,
12.115039735380599,
2.7998023168284267
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.24252325,
0,
0
],
[
0,
0.61117752,
-0.1903277
],
[
0,
-0.19032772,
0.38519841
]
] | -146.968292 | -158.488292 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00429526,
-0.00444757,
0.02685394
],
[
-0.00429526,
0.00444757,
-0.02685394
],
[
0.00429526,
0.00444757,
-0.02685394
],
[
0.00429526,
-0.00444757,
0.02685394
],
[
-0.01337244,
0.03233746,
-0.07008644
],
[
-0.01337244,
-0.03233746,
0.07008644
],
[
0.01337244,
-0.03233746,
0.07008644
],
[
0.01337244,
0.03233746,
-0.07008644
],
[
0.00647239,
-0.00708015,
-0.00391371
],
[
0.00647239,
0.00708015,
0.00391371
],
[
-0.00647239,
0.00708015,
0.00391371
],
[
-0.00647239,
-0.00708015,
-0.00391371
],
[
0.00170999,
0.03032798,
-0.00306008
],
[
0.00170999,
-0.03032798,
0.00306008
],
[
-0.00170999,
-0.03032798,
0.00306008
],
[
-0.00170999,
0.03032798,
-0.00306008
],
[
0.05810398,
-0.00371262,
0.00833693
],
[
0.05810398,
0.00371262,
-0.00833693
],
[
-0.05810398,
0.00371262,
-0.00833693
],
[
-0.05810398,
-0.00371262,
0.00833693
]
] |
pbe
| true | 15 |
agm005266151-pbe-368
| 368 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.35400016,
7.69791687,
-0.02088379
],
[
-3.35400016,
7.69791687,
-0.02088379
],
[
0,
4.24165628,
6.11630178
]
] |
agm005266151
|
[
[
1.67700008,
3.848958435,
-0.010441895
],
[
-1.67700008,
5.9697865750000005,
3.047708995
],
[
0.8183975717210271,
4.009292777568305,
2.7154587805373938
],
[
0.818397571721027,
13.507369102431694,
0.300924529462606
],
[
-0.818397571721027,
15.628197242431694,
3.3590754194626062
],
[
-0.8183975717210271,
6.130120917568306,
5.773609670537394
],
[
-2.5088596692432223,
11.123778569130629,
4.009923646135813
],
[
-2.5088596692432223,
10.634539590869373,
5.122761443864187
],
[
2.5088596692432223,
8.513711450869373,
2.0646105538641875
],
[
2.5088596692432223,
9.002950429130628,
0.9517727561358129
],
[
-1.8739437495550462,
11.033586667320181,
1.8134008779347275
],
[
-1.8739437495550464,
6.483075212679817,
1.2029824320652727
],
[
1.8739437495550464,
8.603903352679817,
4.261133322065272
],
[
1.8739437495550462,
13.154414807320181,
4.871551767934727
],
[
0.20003632602257926,
5.084673022368643,
2.500072701292767
],
[
0.20003632602257904,
12.431988857631358,
0.516310608707233
],
[
-0.20003632602257904,
14.552816997631357,
3.5744614987072327
],
[
-0.20003632602257926,
7.205501162368643,
5.558223591292767
],
[
-0.9198307538598194,
14.234881807185227,
5.8578896925514
],
[
-0.9198307538598193,
7.523436352814773,
3.274795397448599
],
[
0.9198307538598193,
5.402608212814774,
0.21664450744859912
],
[
0.9198307538598194,
12.114053667185226,
2.7997388025514005
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.17997464,
0,
0
],
[
0,
0.72685027,
-0.19997895
],
[
0,
-0.19997897,
0.40121338
]
] | -146.968295 | -158.488295 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00281249,
-0.00465527,
0.02220178
],
[
-0.00281249,
0.00465527,
-0.02220178
],
[
0.00281249,
0.00465527,
-0.02220178
],
[
0.00281249,
-0.00465527,
0.02220178
],
[
-0.01331217,
0.02653079,
-0.05699683
],
[
-0.01331217,
-0.02653079,
0.05699683
],
[
0.01331217,
-0.02653079,
0.05699683
],
[
0.01331217,
0.02653079,
-0.05699683
],
[
0.00623998,
-0.0071519,
-0.00349928
],
[
0.00623998,
0.0071519,
0.00349928
],
[
-0.00623998,
0.0071519,
0.00349928
],
[
-0.00623998,
-0.0071519,
-0.00349928
],
[
-0.00001211,
0.03239343,
-0.00303622
],
[
-0.00001211,
-0.03239343,
0.00303622
],
[
0.00001211,
-0.03239343,
0.00303622
],
[
0.00001211,
0.03239343,
-0.00303622
],
[
0.05773533,
-0.00337206,
0.00834148
],
[
0.05773533,
0.00337206,
-0.00834148
],
[
-0.05773533,
0.00337206,
-0.00834148
],
[
-0.05773533,
-0.00337206,
0.00834148
]
] |
pbe
| true | 15 |
agm005266151-pbe-369
| 369 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.54441838,
7.15031891,
-0.01774941
],
[
-3.54441838,
7.15031891,
-0.01774941
],
[
0,
3.94771404,
6.09972534
]
] |
agm005266151
|
[
[
1.77220919,
3.575159455,
-0.008874705
],
[
-1.77220919,
5.549016475,
3.040987965
],
[
0.7900061263420445,
3.747351767987376,
2.6862406869331568
],
[
0.7900061263420448,
12.527143072012624,
0.3281231630668428
],
[
-0.7900061263420448,
14.501000092012625,
3.377985833066843
],
[
-0.7900061263420445,
5.721208787987376,
5.736103356933158
],
[
-2.725299996072907,
10.348792593120324,
3.997087681060289
],
[
-2.725299996072907,
9.873416286879676,
5.117001508939711
],
[
2.725299996072907,
7.899559266879677,
2.067138838939711
],
[
2.725299996072907,
8.374935573120323,
0.9472250110602891
],
[
-2.026837370884496,
10.242461694418111,
1.8283260014222034
],
[
-2.026837370884496,
6.032033145581891,
1.1860378485777965
],
[
2.026837370884496,
8.00589016558189,
4.235900518577797
],
[
2.026837370884496,
12.216318714418112,
4.878188671422204
],
[
0.11287313752498163,
4.775681578017061,
2.4194130269710143
],
[
0.11287313752498207,
11.49881326198294,
0.5949508230289854
],
[
-0.11287313752498207,
13.47267028198294,
3.6448134930289857
],
[
-0.11287313752498163,
6.749538598017061,
5.469275696971015
],
[
-1.0891587946975272,
13.08148424838428,
5.871278248641099
],
[
-1.0891587946975272,
7.14072463161572,
3.2428109413589006
],
[
1.0891587946975272,
5.16686761161572,
0.19294827135890102
],
[
1.0891587946975272,
11.10762722838428,
2.8214155786410995
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.72419765,
0,
0
],
[
0,
-1.10575378,
0.16793437
],
[
0,
0.16793437,
-1.29015909
]
] | -146.822122 | -158.342122 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.05409587,
-0.00727873,
0.00696271
],
[
0.05409587,
0.00727873,
-0.00696271
],
[
-0.05409587,
0.00727873,
-0.00696271
],
[
-0.05409587,
-0.00727873,
0.00696271
],
[
-0.00775631,
-0.03299276,
0.06214212
],
[
-0.00775631,
0.03299276,
-0.06214212
],
[
0.00775631,
0.03299276,
-0.06214212
],
[
0.00775631,
-0.03299276,
0.06214212
],
[
0.01475056,
0.01997188,
-0.0528809
],
[
0.01475056,
-0.01997188,
0.0528809
],
[
-0.01475056,
-0.01997188,
0.0528809
],
[
-0.01475056,
0.01997188,
-0.0528809
],
[
0.00781257,
0.01204784,
0.05057829
],
[
0.00781257,
-0.01204784,
-0.05057829
],
[
-0.00781257,
-0.01204784,
-0.05057829
],
[
-0.00781257,
0.01204784,
0.05057829
],
[
0.04435694,
0.03075012,
-0.00369402
],
[
0.04435694,
-0.03075012,
0.00369402
],
[
-0.04435694,
-0.03075012,
0.00369402
],
[
-0.04435694,
0.03075012,
-0.00369402
]
] |
pbe
| true | 15 |
agm005266151-pbe-37
| 37 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.35356769,
7.70195889,
-0.02091353
],
[
-3.35356769,
7.70195889,
-0.02091353
],
[
0,
4.24386062,
6.11658452
]
] |
agm005266151
|
[
[
1.676783845,
3.850979445,
-0.010456765
],
[
-1.676783845,
5.972909755,
3.047835495
],
[
0.8182937901197687,
4.0114539932638795,
2.715431328144945
],
[
0.8182937901197684,
13.514394096736122,
0.3010338718550546
],
[
-0.8182937901197684,
15.636324406736122,
3.3593261318550547
],
[
-0.8182937901197687,
6.133384303263879,
5.773723588144946
],
[
-2.50888155690967,
11.129767014078139,
4.009948081034687
],
[
-2.50888155690967,
10.639941695921863,
5.123101638965313
],
[
2.50888155690967,
8.518011385921861,
2.064809378965313
],
[
2.50888155690967,
9.007836704078139,
0.9516558210346873
],
[
-1.8737496403859848,
11.039447624768787,
1.8134540364894756
],
[
-1.873749640385985,
6.486400465231214,
1.2030111635105243
],
[
1.873749640385985,
8.608330775231215,
4.261303423510524
],
[
1.8737496403859848,
13.161377934768787,
4.8717462964894755
],
[
0.20007555870492189,
5.087686408021774,
2.500196506142416
],
[
0.20007555870492189,
12.438161681978224,
0.5162686938575841
],
[
-0.20007555870492189,
14.560091991978226,
3.574560953857584
],
[
-0.20007555870492189,
7.209616718021774,
5.558488766142416
],
[
-0.9189024976036138,
14.24311008546509,
5.8584156182928835
],
[
-0.9189024976036136,
7.52659862453491,
3.2746341017071163
],
[
0.9189024976036136,
5.404668314534909,
0.2163418417071162
],
[
0.9189024976036138,
12.12117977546509,
2.8001233582928835
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.62977698,
0,
0
],
[
0,
-0.52008064,
0.15555643
],
[
0,
0.1555564,
-0.4174245
]
] | -146.968566 | -158.488566 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01638059,
0.01576582,
0.02193181
],
[
-0.01638059,
-0.01576582,
-0.02193181
],
[
0.01638059,
-0.01576582,
-0.02193181
],
[
0.01638059,
0.01576582,
0.02193181
],
[
-0.01395908,
0.01057947,
-0.01794379
],
[
-0.01395908,
-0.01057947,
0.01794379
],
[
0.01395908,
-0.01057947,
0.01794379
],
[
0.01395908,
0.01057947,
-0.01794379
],
[
0.00075264,
0.00123865,
-0.00058745
],
[
0.00075264,
-0.00123865,
0.00058745
],
[
-0.00075264,
-0.00123865,
0.00058745
],
[
-0.00075264,
0.00123865,
-0.00058745
],
[
0.0188825,
0.00054152,
0.00084442
],
[
0.0188825,
-0.00054152,
-0.00084442
],
[
-0.0188825,
-0.00054152,
-0.00084442
],
[
-0.0188825,
0.00054152,
0.00084442
],
[
0.05430424,
0.00252691,
0.00816947
],
[
0.05430424,
-0.00252691,
-0.00816947
],
[
-0.05430424,
-0.00252691,
-0.00816947
],
[
-0.05430424,
0.00252691,
0.00816947
]
] |
pbe
| true | 15 |
agm005266151-pbe-370
| 370 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.35302664,
7.70701571,
-0.02095075
],
[
-3.35302664,
7.70701571,
-0.02095075
],
[
0,
4.24661838,
6.11693824
]
] |
agm005266151
|
[
[
1.67651332,
3.853507855,
-0.010475375
],
[
-1.67651332,
5.976817045000001,
3.047993745
],
[
0.8181639496321975,
4.014157788686673,
2.715396988429557
],
[
0.818163949632198,
13.523182821313327,
0.30117063157044266
],
[
-0.818163949632198,
15.646492011313327,
3.359639751570443
],
[
-0.8181639496321975,
6.137466978686674,
5.773866108429557
],
[
-2.508908822372747,
11.137258998289006,
4.009978613038309
],
[
-2.508908822372747,
10.646699991710994,
5.12352724696169
],
[
2.508908822372747,
8.523390801710994,
2.0650581269616897
],
[
2.508908822372747,
9.013949808289006,
0.9515094930383097
],
[
-1.8735067869450415,
11.046780118420656,
1.81352054693198
],
[
-1.8735067869450412,
6.490560491579344,
1.20304707306802
],
[
1.8735067869450412,
8.613869681579343,
4.26151619306802
],
[
1.8735067869450415,
13.170089308420655,
4.87198966693198
],
[
0.20012459028200646,
5.091456799370767,
2.500351453890144
],
[
0.20012459028200658,
12.445883810629235,
0.5162161661098559
],
[
-0.20012459028200658,
14.569193000629236,
3.574685286109856
],
[
-0.20012459028200646,
7.2147659893707665,
5.558820573890144
],
[
-0.9177413300605239,
14.25340494036719,
5.85907357197859
],
[
-0.9177413300605239,
7.530554049632812,
3.2744322880214094
],
[
0.9177413300605239,
5.4072448596328115,
0.21596316802141008
],
[
0.9177413300605239,
12.13009575036719,
2.80060445197859
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-1.14978661,
0,
0
],
[
0,
-2.01341935,
0.59489527
],
[
0,
0.59489531,
-1.39184869
]
] | -146.968662 | -158.488662 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.03341125,
0.04104804,
0.02159101
],
[
-0.03341125,
-0.04104804,
-0.02159101
],
[
0.03341125,
-0.04104804,
-0.02159101
],
[
0.03341125,
0.04104804,
0.02159101
],
[
-0.01488178,
-0.0092575,
0.03029446
],
[
-0.01488178,
0.0092575,
-0.03029446
],
[
0.01488178,
0.0092575,
-0.03029446
],
[
0.01488178,
-0.0092575,
0.03029446
],
[
-0.00652137,
0.01176991,
0.00314385
],
[
-0.00652137,
-0.01176991,
-0.00314385
],
[
0.00652137,
-0.01176991,
-0.00314385
],
[
0.00652137,
0.01176991,
0.00314385
],
[
0.04240866,
-0.03961129,
0.00575695
],
[
0.04240866,
0.03961129,
-0.00575695
],
[
-0.04240866,
0.03961129,
-0.00575695
],
[
-0.04240866,
-0.03961129,
0.00575695
],
[
0.05031003,
0.00953383,
0.00807881
],
[
0.05031003,
-0.00953383,
-0.00807881
],
[
-0.05031003,
-0.00953383,
-0.00807881
],
[
-0.05031003,
0.00953383,
0.00807881
]
] |
pbe
| true | 15 |
agm005266151-pbe-371
| 371 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.35257629,
7.70927557,
-0.02079691
],
[
-3.35257629,
7.70927557,
-0.02079691
],
[
0,
4.24798561,
6.1169104
]
] |
agm005266151
|
[
[
1.676288145,
3.854637785,
-0.010398455
],
[
-1.676288145,
5.97863059,
3.0480567450000002
],
[
0.8179144595373253,
4.015608808525351,
2.715415948826821
],
[
0.8179144595373256,
13.526935136474648,
0.3014454311731795
],
[
-0.8179144595373256,
15.650927941474649,
3.359900631173179
],
[
-0.8179144595373253,
6.139601613525351,
5.773871148826821
],
[
-2.508877669102728,
11.14068059935675,
4.01016306996198
],
[
-2.508877669102728,
10.64984895564325,
5.12360871003802
],
[
2.508877669102728,
8.52585615064325,
2.06515351003802
],
[
2.508877669102728,
9.01668779435675,
0.9517078699619804
],
[
-1.8733161032961652,
11.050157904836873,
1.8137244914991606
],
[
-1.8733161032961645,
6.492386040163126,
1.2031368885008396
],
[
1.8733161032961645,
8.616378845163126,
4.26159208850084
],
[
1.8733161032961652,
13.174150709836873,
4.87217969149916
],
[
0.20032223328448162,
5.09308108368073,
2.50044576766571
],
[
0.2003222332844814,
12.449462861319269,
0.5164156123342901
],
[
-0.2003222332844814,
14.57345566631927,
3.5748708123342907
],
[
-0.20032223328448162,
7.217073888680729,
5.55890096766571
],
[
-0.9168361454880347,
14.258287829198377,
5.859490021856064
],
[
-0.9168361454880348,
7.532241725801624,
3.2742817581439363
],
[
0.9168361454880348,
5.408248920801624,
0.21582655814393584
],
[
0.9168361454880347,
12.134295024198376,
2.8010348218560646
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-1.22521867,
0,
0
],
[
0,
-2.1671653,
0.58015526
],
[
0,
0.58015524,
-1.57123378
]
] | -146.968873 | -158.488873 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.02870691,
0.03351672,
0.02291287
],
[
-0.02870691,
-0.03351672,
-0.02291287
],
[
0.02870691,
-0.03351672,
-0.02291287
],
[
0.02870691,
0.03351672,
0.02291287
],
[
-0.0154131,
-0.00816304,
0.028414
],
[
-0.0154131,
0.00816304,
-0.028414
],
[
0.0154131,
0.00816304,
-0.028414
],
[
0.0154131,
-0.00816304,
0.028414
],
[
-0.01031054,
0.01594723,
0.00608652
],
[
-0.01031054,
-0.01594723,
-0.00608652
],
[
0.01031054,
-0.01594723,
-0.00608652
],
[
0.01031054,
0.01594723,
0.00608652
],
[
0.04098194,
-0.03880387,
0.0047845
],
[
0.04098194,
0.03880387,
-0.0047845
],
[
-0.04098194,
0.03880387,
-0.0047845
],
[
-0.04098194,
-0.03880387,
0.0047845
],
[
0.04756758,
0.01210216,
0.00838106
],
[
0.04756758,
-0.01210216,
-0.00838106
],
[
-0.04756758,
-0.01210216,
-0.00838106
],
[
-0.04756758,
0.01210216,
0.00838106
]
] |
pbe
| true | 15 |
agm005266151-pbe-372
| 372 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.35122524,
7.71605516,
-0.02033539
],
[
-3.35122524,
7.71605516,
-0.02033539
],
[
0,
4.25208728,
6.11682689
]
] |
agm005266151
|
[
[
1.67561262,
3.85802758,
-0.010167695
],
[
-1.67561262,
5.98407122,
3.04824575
],
[
0.8171661472590925,
4.019962366089214,
2.7154729513686857
],
[
0.8171661472590923,
13.538191593910787,
0.30226971363131405
],
[
-0.8171661472590923,
15.664235233910787,
3.360683158631314
],
[
-0.8171661472590925,
6.146006006089214,
5.7738863963686855
],
[
-2.508783816858304,
11.150945442928624,
4.010716457940941
],
[
-2.508783816858304,
10.659295797071376,
5.123853097059059
],
[
2.508783816858304,
8.533252157071377,
2.0654396520590597
],
[
2.508783816858304,
9.024901802928623,
0.9523030129409401
],
[
-1.8727439205889262,
11.06029159885028,
1.8143364101101684
],
[
-1.8727439205889262,
6.4978623611497195,
1.2034062548898317
],
[
1.8727439205889262,
8.623906001149718,
4.2618196998898314
],
[
1.8727439205889262,
13.186335238850281,
4.872749855110168
],
[
0.2009149009093909,
5.097954347749562,
2.500728784906561
],
[
0.20091490090939113,
12.460199612250438,
0.5170138800934392
],
[
-0.20091490090939113,
14.586243252250439,
3.5754273250934387
],
[
-0.2009149009093909,
7.223997987749561,
5.559142229906561
],
[
-0.9141214835573566,
14.272938462481221,
5.860739591060912
],
[
-0.9141214835573567,
7.537302777518777,
3.273829963939088
],
[
0.9141214835573567,
5.411259137518777,
0.21541651893908798
],
[
0.9141214835573566,
12.146894822481222,
2.8023261460609117
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-1.43527581,
0,
0
],
[
0,
-2.55903951,
0.54075986
],
[
0,
0.54075989,
-2.07074699
]
] | -146.969421 | -158.489421 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.0140287,
0.01073962,
0.02627381
],
[
-0.0140287,
-0.01073962,
-0.02627381
],
[
0.0140287,
-0.01073962,
-0.02627381
],
[
0.0140287,
0.01073962,
0.02627381
],
[
-0.01621943,
-0.00508503,
0.02259755
],
[
-0.01621943,
0.00508503,
-0.02259755
],
[
0.01621943,
0.00508503,
-0.02259755
],
[
0.01621943,
-0.00508503,
0.02259755
],
[
-0.02120889,
0.02866653,
0.01439889
],
[
-0.02120889,
-0.02866653,
-0.01439889
],
[
0.02120889,
-0.02866653,
-0.01439889
],
[
0.02120889,
0.02866653,
0.01439889
],
[
0.03715301,
-0.03654978,
0.00189778
],
[
0.03715301,
0.03654978,
-0.00189778
],
[
-0.03715301,
0.03654978,
-0.00189778
],
[
-0.03715301,
-0.03654978,
0.00189778
],
[
0.04076733,
0.0194649,
0.00939769
],
[
0.04076733,
-0.0194649,
-0.00939769
],
[
-0.04076733,
-0.0194649,
-0.00939769
],
[
-0.04076733,
0.0194649,
0.00939769
]
] |
pbe
| true | 15 |
agm005266151-pbe-373
| 373 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.34852314,
7.72961433,
-0.01941235
],
[
-3.34852314,
7.72961433,
-0.01941235
],
[
0,
4.26029062,
6.11665988
]
] |
agm005266151
|
[
[
1.67426157,
3.864807165,
-0.009706175
],
[
-1.67426157,
5.994952475,
3.0486237650000003
],
[
0.8156701336809714,
4.028671733511957,
2.715587027142107
],
[
0.8156701336809715,
13.560702236488044,
0.30391821285789294
],
[
-0.8156701336809715,
15.690847546488044,
3.362248152857893
],
[
-0.8156701336809714,
6.158817043511958,
5.773916967142108
],
[
-2.5085945969460672,
11.171475880324106,
4.011823164070244
],
[
-2.5085945969460672,
10.678188709675895,
5.124341955929756
],
[
2.5085945969460672,
8.548043399675896,
2.066012015929756
],
[
2.5085945969460672,
9.041330570324106,
0.953493224070244
],
[
-1.871599314049298,
11.080560100011573,
1.815560282689623
],
[
-1.8715993140492984,
6.50881386998843,
1.2039449573103769
],
[
1.8715993140492984,
8.63895917998843,
4.262274897310378
],
[
1.871599314049298,
13.210705410011572,
4.8738902226896235
],
[
0.2020991095577579,
5.107701660045725,
2.50129487368337
],
[
0.20209910955775756,
12.481672309954275,
0.5182103663166306
],
[
-0.20209910955775756,
14.611817619954277,
3.576540306316631
],
[
-0.2020991095577579,
7.237846970045725,
5.559624813683369
],
[
-0.9086959907970138,
14.302245912351237,
5.863238893807664
],
[
-0.908695990797014,
7.547418677648766,
3.2729262261923364
],
[
0.908695990797014,
5.417273367648765,
0.21459628619233614
],
[
0.9086959907970138,
12.172100602351238,
2.8049089538076637
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-1.84912787,
0,
0
],
[
0,
-3.34901925,
0.4691855
],
[
0,
0.4691855,
-3.06029666
]
] | -146.970153 | -158.490153 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01477459,
-0.03455694,
0.03353099
],
[
0.01477459,
0.03455694,
-0.03353099
],
[
-0.01477459,
0.03455694,
-0.03353099
],
[
-0.01477459,
-0.03455694,
0.03353099
],
[
-0.01798772,
0.00098356,
0.01142276
],
[
-0.01798772,
-0.00098356,
-0.01142276
],
[
0.01798772,
-0.00098356,
-0.01142276
],
[
0.01798772,
0.00098356,
0.01142276
],
[
-0.04284499,
0.05391059,
0.03020643
],
[
-0.04284499,
-0.05391059,
-0.03020643
],
[
0.04284499,
-0.05391059,
-0.03020643
],
[
0.04284499,
0.05391059,
0.03020643
],
[
0.02912347,
-0.0316907,
-0.00367933
],
[
0.02912347,
0.0316907,
0.00367933
],
[
-0.02912347,
0.0316907,
0.00367933
],
[
-0.02912347,
-0.0316907,
-0.00367933
],
[
0.02666701,
0.03454687,
0.01156894
],
[
0.02666701,
-0.03454687,
-0.01156894
],
[
-0.02666701,
-0.03454687,
-0.01156894
],
[
-0.02666701,
0.03454687,
0.01156894
]
] |
pbe
| true | 15 |
agm005266151-pbe-374
| 374 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.34689881,
7.73224212,
-0.01870315
],
[
-3.34689881,
7.73224212,
-0.01870315
],
[
0,
4.26229594,
6.11496976
]
] |
agm005266151
|
[
[
1.673449405,
3.86612106,
-0.009351575
],
[
-1.673449405,
5.99726903,
3.048133305
],
[
0.8151171907206162,
4.030414292655712,
2.7153684500484925
],
[
0.8151171907206161,
13.565217917344288,
0.3047101299515078
],
[
-0.8151171907206161,
15.696365887344289,
3.362195009951508
],
[
-0.8151171907206162,
6.161562262655712,
5.772853330048492
],
[
-2.5082665759922285,
11.17582296727682,
4.011682278778088
],
[
-2.508266575992228,
10.68210518272318,
5.123366061221912
],
[
2.508266575992228,
8.55095721272318,
2.0658811812219127
],
[
2.5082665759922285,
9.04467499727682,
0.9541973987780878
],
[
-1.8712929943751133,
11.085309661873724,
1.8163169708203393
],
[
-1.8712929943751129,
6.510322548126276,
1.203761609179661
],
[
1.8712929943751129,
8.641470518126276,
4.261246489179661
],
[
1.8712929943751133,
13.216457631873723,
4.873801850820339
],
[
0.20282578294367914,
5.109508601227786,
2.5009581779490646
],
[
0.20282578294367903,
12.486123608772216,
0.519120402050935
],
[
-0.20282578294367903,
14.617271578772217,
3.576605282050935
],
[
-0.20282578294367914,
7.240656571227785,
5.558443057949065
],
[
-0.9061913276889313,
14.309349871297446,
5.863218639414865
],
[
-0.9061913276889311,
7.5485782787025535,
3.271829700585136
],
[
0.9061913276889311,
5.417430308702554,
0.214344820585136
],
[
0.9061913276889313,
12.178201901297447,
2.805733759414864
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-1.22282492,
0,
0
],
[
0,
-1.59594584,
0.25861337
],
[
0,
0.25861336,
-1.15253149
]
] | -146.971138 | -158.491138 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01341459,
-0.0356359,
0.04108428
],
[
0.01341459,
0.0356359,
-0.04108428
],
[
-0.01341459,
0.0356359,
-0.04108428
],
[
-0.01341459,
-0.0356359,
0.04108428
],
[
-0.01717583,
0.01297799,
-0.01754151
],
[
-0.01717583,
-0.01297799,
0.01754151
],
[
0.01717583,
-0.01297799,
0.01754151
],
[
0.01717583,
0.01297799,
-0.01754151
],
[
-0.01841179,
0.02515416,
0.00744711
],
[
-0.01841179,
-0.02515416,
-0.00744711
],
[
0.01841179,
-0.02515416,
-0.00744711
],
[
0.01841179,
0.02515416,
0.00744711
],
[
0.0041962,
0.00347476,
-0.00573466
],
[
0.0041962,
-0.00347476,
0.00573466
],
[
-0.0041962,
-0.00347476,
0.00573466
],
[
-0.0041962,
0.00347476,
-0.00573466
],
[
0.02678481,
0.02595963,
0.01162372
],
[
0.02678481,
-0.02595963,
-0.01162372
],
[
-0.02678481,
-0.02595963,
-0.01162372
],
[
-0.02678481,
0.02595963,
0.01162372
]
] |
pbe
| true | 15 |
agm005266151-pbe-375
| 375 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.34466853,
7.73585019,
-0.01772937
],
[
-3.34466853,
7.73585019,
-0.01772937
],
[
0,
4.26504933,
6.11264914
]
] |
agm005266151
|
[
[
1.672334265,
3.867925095,
-0.008864685
],
[
-1.672334265,
6.00044976,
3.0474598850000003
],
[
0.8143580875633938,
4.032806986413497,
2.7150680995740224
],
[
0.8143580875633933,
13.571418058586504,
0.3057977304259776
],
[
-0.8143580875633933,
15.703942723586504,
3.362122300425978
],
[
-0.8143580875633938,
6.165331651413497,
5.7713926695740225
],
[
-2.507815439431182,
11.181791857371913,
4.0114886574433894
],
[
-2.507815439431182,
10.687482517628087,
5.122026312556612
],
[
2.507815439431182,
8.554957852628087,
2.0657017425566115
],
[
2.507815439431182,
9.049267192371913,
0.9551640874433885
],
[
-1.870871915926423,
11.091831474996024,
1.8173558160075423
],
[
-1.8708719159264229,
6.512393570003976,
1.203510013992458
],
[
1.8708719159264229,
8.644918235003976,
4.259834583992458
],
[
1.870871915926423,
13.224356139996024,
4.873680386007543
],
[
0.203822762350788,
5.111989329809535,
2.500495830860759
],
[
0.203822762350788,
12.492235715190464,
0.5203699991392412
],
[
-0.203822762350788,
14.624760380190464,
3.5766945691392413
],
[
-0.203822762350788,
7.244513994809536,
5.556820400860759
],
[
-0.9027541649093371,
14.319105006284897,
5.863190686213802
],
[
-0.9027541649093374,
7.550169368715103,
3.2703242837861985
],
[
0.9027541649093374,
5.417644703715103,
0.2139997137861987
],
[
0.9027541649093371,
12.186580341284897,
2.806866116213801
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.35614638,
0,
0
],
[
0,
0.84762322,
-0.03190907
],
[
0,
-0.03190912,
1.50933735
]
] | -146.97178 | -158.49178 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01148252,
-0.03718557,
0.05140078
],
[
0.01148252,
0.03718557,
-0.05140078
],
[
-0.01148252,
0.03718557,
-0.05140078
],
[
-0.01148252,
-0.03718557,
0.05140078
],
[
-0.01610973,
0.0295911,
-0.05772053
],
[
-0.01610973,
-0.0295911,
0.05772053
],
[
0.01610973,
-0.0295911,
0.05772053
],
[
0.01610973,
0.0295911,
-0.05772053
],
[
0.01512211,
-0.01490598,
-0.02451616
],
[
0.01512211,
0.01490598,
0.02451616
],
[
-0.01512211,
0.01490598,
0.02451616
],
[
-0.01512211,
-0.01490598,
-0.02451616
],
[
-0.03029999,
0.05232639,
-0.00837404
],
[
-0.03029999,
-0.05232639,
0.00837404
],
[
0.03029999,
-0.05232639,
0.00837404
],
[
0.03029999,
0.05232639,
-0.00837404
],
[
0.02733067,
0.01403763,
0.01213042
],
[
0.02733067,
-0.01403763,
-0.01213042
],
[
-0.02733067,
-0.01403763,
-0.01213042
],
[
-0.02733067,
0.01403763,
0.01213042
]
] |
pbe
| true | 15 |
agm005266151-pbe-376
| 376 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.34406393,
7.73682828,
-0.01746539
],
[
-3.34406393,
7.73682828,
-0.01746539
],
[
0,
4.26579573,
6.11202006
]
] |
agm005266151
|
[
[
1.672031965,
3.86841414,
-0.008732695
],
[
-1.672031965,
6.001312005,
3.047277335
],
[
0.8141523253224636,
4.03345558879144,
2.7149866643367346
],
[
0.8141523253224636,
13.57309883620856,
0.306092585663265
],
[
-0.8141523253224636,
15.70599670120856,
3.362102615663265
],
[
-0.8141523253224636,
6.16635345379144,
5.770996694336735
],
[
-2.5076930754357485,
11.183409965782422,
4.011436178495554
],
[
-2.5076930754357485,
10.688940189217579,
5.121663131504445
],
[
2.5076930754357485,
8.55604232421758,
2.0656531015044455
],
[
2.5076930754357485,
9.050512100782422,
0.9554261484955545
],
[
-1.8707577126110306,
11.093599466855876,
1.8176374212340236
],
[
-1.8707577126110304,
6.512954958144123,
1.2034418287659763
],
[
1.8707577126110304,
8.645852823144123,
4.259451858765976
],
[
1.8707577126110306,
13.226497331855876,
4.8736474512340235
],
[
0.20409297021868067,
5.112661831940965,
2.500370492707538
],
[
0.20409297021868067,
12.493892593059035,
0.5207087572924616
],
[
-0.20409297021868067,
14.626790458059036,
3.576718787292462
],
[
-0.20409297021868067,
7.2455596969409655,
5.5563805227075385
],
[
-0.9018225123935373,
14.321749533633195,
5.8631830785791115
],
[
-0.9018225123935373,
7.5506006213668035,
3.269916231420889
],
[
0.9018225123935373,
5.417702756366804,
0.21390620142088912
],
[
0.9018225123935373,
12.188851668633196,
2.807173048579111
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.13661391,
0,
0
],
[
0,
1.4849077,
-0.11024239
],
[
0,
-0.11024244,
2.21247143
]
] | -146.971812 | -158.491812 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01076451,
-0.03735403,
0.05436992
],
[
0.01076451,
0.03735403,
-0.05436992
],
[
-0.01076451,
0.03735403,
-0.05436992
],
[
-0.01076451,
-0.03735403,
0.05436992
],
[
-0.01586497,
0.03414466,
-0.06846619
],
[
-0.01586497,
-0.03414466,
0.06846619
],
[
0.01586497,
-0.03414466,
0.06846619
],
[
0.01586497,
0.03414466,
-0.06846619
],
[
0.02413315,
-0.02557721,
-0.03280782
],
[
0.02413315,
0.02557721,
0.03280782
],
[
-0.02413315,
0.02557721,
0.03280782
],
[
-0.02413315,
-0.02557721,
-0.03280782
],
[
-0.03944838,
0.06528561,
-0.00908339
],
[
-0.03944838,
-0.06528561,
0.00908339
],
[
0.03944838,
-0.06528561,
0.00908339
],
[
0.03944838,
0.06528561,
-0.00908339
],
[
0.02744094,
0.01062743,
0.01200871
],
[
0.02744094,
-0.01062743,
-0.01200871
],
[
-0.02744094,
-0.01062743,
-0.01200871
],
[
-0.02744094,
0.01062743,
0.01200871
]
] |
pbe
| true | 15 |
agm005266151-pbe-377
| 377 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.34253922,
7.74003591,
-0.01687343
],
[
-3.34253922,
7.74003591,
-0.01687343
],
[
0,
4.26803044,
6.11135866
]
] |
agm005266151
|
[
[
1.67126961,
3.870017955,
-0.008436715
],
[
-1.67126961,
6.004033175,
3.0472426149999996
],
[
0.8137182098645587,
4.035166052967046,
2.7155802192381127
],
[
0.8137182098645588,
13.578920987032953,
0.3063522507618871
],
[
-0.8137182098645588,
15.712936207032953,
3.362031580761887
],
[
-0.8137182098645587,
6.169181272967045,
5.7712595492381125
],
[
-2.50748875770644,
11.18878139041303,
4.011309345824043
],
[
-2.5074887577064406,
10.69333608958697,
5.121981784175955
],
[
2.5074887577064406,
8.55932086958697,
2.0663024541759563
],
[
2.50748875770644,
9.05476617041303,
0.9556300158240437
],
[
-1.8702750694743762,
11.098894795458921,
1.8182762967699824
],
[
-1.870275069474376,
6.515192244541079,
1.2036561732300173
],
[
1.870275069474376,
8.649207464541078,
4.259335503230017
],
[
1.8702750694743762,
13.232910015458923,
4.873955626769982
],
[
0.20445911304033593,
5.11532422046183,
2.500331899350593
],
[
0.20445911304033615,
12.49876281953817,
0.5216005706494067
],
[
-0.20445911304033615,
14.63277803953817,
3.577279900649407
],
[
-0.20445911304033593,
7.2493394404618305,
5.5560112293505926
],
[
-0.8993023890246172,
14.329787240026487,
5.864036781623189
],
[
-0.8993023890246175,
7.552330239973513,
3.2692543483768106
],
[
0.8993023890246175,
5.418315019973512,
0.2135750183768109
],
[
0.8993023890246172,
12.195772020026487,
2.8083574516231886
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.17485201,
0,
0
],
[
0,
1.52037564,
-0.00940736
],
[
0,
-0.00940738,
2.56281861
]
] | -146.972283 | -158.492283 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.0033017,
0.0021191,
0.00870834
],
[
-0.0033017,
-0.0021191,
-0.00870834
],
[
0.0033017,
-0.0021191,
-0.00870834
],
[
0.0033017,
0.0021191,
0.00870834
],
[
-0.01432885,
-0.0132087,
0.0353493
],
[
-0.01432885,
0.0132087,
-0.0353493
],
[
0.01432885,
0.0132087,
-0.0353493
],
[
0.01432885,
-0.0132087,
0.0353493
],
[
0.02994006,
-0.03689247,
-0.02844062
],
[
0.02994006,
0.03689247,
0.02844062
],
[
-0.02994006,
0.03689247,
0.02844062
],
[
-0.02994006,
-0.03689247,
-0.02844062
],
[
-0.0335602,
0.04810556,
0.0003251
],
[
-0.0335602,
-0.04810556,
-0.0003251
],
[
0.0335602,
-0.04810556,
-0.0003251
],
[
0.0335602,
0.04810556,
0.0003251
],
[
0.02630531,
0.00509968,
0.01220341
],
[
0.02630531,
-0.00509968,
-0.01220341
],
[
-0.02630531,
-0.00509968,
-0.01220341
],
[
-0.02630531,
0.00509968,
0.01220341
]
] |
pbe
| true | 15 |
agm005266151-pbe-378
| 378 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.34188649,
7.74140909,
-0.01662001
],
[
-3.34188649,
7.74140909,
-0.01662001
],
[
0,
4.26898712,
6.11107552
]
] |
agm005266151
|
[
[
1.670943245,
3.870704545,
-0.008310005
],
[
-1.670943245,
6.005198105,
3.047227755
],
[
0.8135323382063392,
4.035898279115527,
2.71583425277822
],
[
0.8135323382063393,
13.581413460884475,
0.3064634872217798
],
[
-0.8135323382063393,
15.715907020884474,
3.3620012472217797
],
[
-0.8135323382063392,
6.170391839115526,
5.771372012778221
],
[
-2.5074012252975235,
11.191080889707187,
4.011255082620356
],
[
-2.5074012252975235,
10.695217970292813,
5.122118177379644
],
[
2.5074012252975235,
8.560724410292814,
2.066580417379644
],
[
2.5074012252975235,
9.056587329707188,
0.9557173226203559
],
[
-1.8700683818463781,
11.101161735298724,
1.818549827751238
],
[
-1.8700683818463781,
6.5161500047012755,
1.203747912248762
],
[
1.8700683818463781,
8.650643564701275,
4.259285672248763
],
[
1.8700683818463781,
13.235655295298724,
4.874087587751237
],
[
0.20461582293058356,
5.116464011293106,
2.500315440760566
],
[
0.20461582293058367,
12.500847728706896,
0.5219822992394341
],
[
-0.20461582293058367,
14.635341288706895,
3.577520059239434
],
[
-0.20461582293058356,
7.250957571293107,
5.555853200760566
],
[
-0.8982237289716504,
14.333228410641471,
5.864402288172449
],
[
-0.8982237289716505,
7.553070449358531,
3.2689709718275513
],
[
0.8982237289716505,
5.418576889358531,
0.2134332118275511
],
[
0.8982237289716504,
12.19873485064147,
2.8088645281724487
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.19905148,
0,
0
],
[
0,
1.522942,
0.03026037
],
[
0,
0.03026039,
2.70606603
]
] | -146.972339 | -158.492339 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00934488,
0.01919434,
-0.01089648
],
[
-0.00934488,
-0.01919434,
0.01089648
],
[
0.00934488,
-0.01919434,
0.01089648
],
[
0.00934488,
0.01919434,
-0.01089648
],
[
-0.01372899,
-0.03334784,
0.07967783
],
[
-0.01372899,
0.03334784,
-0.07967783
],
[
0.01372899,
0.03334784,
-0.07967783
],
[
0.01372899,
-0.03334784,
0.07967783
],
[
0.03242587,
-0.04148677,
-0.02633398
],
[
0.03242587,
0.04148677,
0.02633398
],
[
-0.03242587,
0.04148677,
0.02633398
],
[
-0.03242587,
-0.04148677,
-0.02633398
],
[
-0.03092438,
0.0407358,
0.00419494
],
[
-0.03092438,
-0.0407358,
-0.00419494
],
[
0.03092438,
-0.0407358,
-0.00419494
],
[
0.03092438,
0.0407358,
0.00419494
],
[
0.02608186,
0.00287241,
0.01211598
],
[
0.02608186,
-0.00287241,
-0.01211598
],
[
-0.02608186,
-0.00287241,
-0.01211598
],
[
-0.02608186,
0.00287241,
0.01211598
]
] |
pbe
| true | 15 |
agm005266151-pbe-379
| 379 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.53158573,
7.17078082,
-0.03388645
],
[
-3.53158573,
7.17078082,
-0.03388645
],
[
0,
3.94523509,
6.09569642
]
] |
agm005266151
|
[
[
1.765792865,
3.58539041,
-0.016943225
],
[
-1.765792865,
5.558007955,
3.0309049850000003
],
[
0.7878359977725867,
3.7518497084634825,
2.6807577405258236
],
[
0.7878359977725866,
12.562329476536519,
0.2993175694741765
],
[
-0.7878359977725866,
14.534947021536517,
3.3471657794741767
],
[
-0.7878359977725867,
5.724467253463482,
5.728605950525824
],
[
-2.713650238945767,
10.36481916855503,
3.976482057075324
],
[
-2.713650238945767,
9.89459510644497,
5.099289672924677
],
[
2.713650238945767,
7.921977561444971,
2.051441462924677
],
[
2.713650238945767,
8.39220162355503,
0.9286338470753236
],
[
-2.017892852121183,
10.267110593492447,
1.806189178438015
],
[
-2.017892852121183,
6.0470685915075535,
1.173886131561985
],
[
2.017892852121183,
8.019686136507554,
4.2217343415619855
],
[
2.017892852121183,
12.239728138492447,
4.854037388438015
],
[
0.11776796591759642,
4.786332555991676,
2.413307225312415
],
[
0.11776796591759675,
11.527846629008325,
0.5667680846875854
],
[
-0.11776796591759675,
13.500464174008325,
3.6146162946875857
],
[
-0.11776796591759642,
6.758950100991676,
5.461155435312415
],
[
-1.077352182174972,
13.107687729766885,
5.8393748243043735
],
[
-1.0773521821749723,
7.151726545233116,
3.2363969056956274
],
[
1.0773521821749723,
5.179109000233115,
0.18854869569562682
],
[
1.077352182174972,
11.135070184766885,
2.791526614304373
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-1.51478713,
0,
0
],
[
0,
-6.93760742,
3.63179313
],
[
0,
3.63179307,
-6.49316587
]
] | -146.820713 | -158.340713 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.06760068,
-0.01511618,
0.06923774
],
[
0.06760068,
0.01511618,
-0.06923774
],
[
-0.06760068,
0.01511618,
-0.06923774
],
[
-0.06760068,
-0.01511618,
0.06923774
],
[
-0.04565332,
0.0521225,
0.0155819
],
[
-0.04565332,
-0.0521225,
-0.0155819
],
[
0.04565332,
-0.0521225,
-0.0155819
],
[
0.04565332,
0.0521225,
0.0155819
],
[
0.01365187,
0.02560405,
-0.07820913
],
[
0.01365187,
-0.02560405,
0.07820913
],
[
-0.01365187,
-0.02560405,
0.07820913
],
[
-0.01365187,
0.02560405,
-0.07820913
],
[
0.03210737,
-0.07434677,
0.1203313
],
[
0.03210737,
0.07434677,
-0.1203313
],
[
-0.03210737,
0.07434677,
-0.1203313
],
[
-0.03210737,
-0.07434677,
0.1203313
],
[
0.00020874,
0.11067724,
0.01056586
],
[
0.00020874,
-0.11067724,
-0.01056586
],
[
-0.00020874,
-0.11067724,
-0.01056586
],
[
-0.00020874,
0.11067724,
0.01056586
]
] |
pbe
| true | 15 |
agm005266151-pbe-38
| 38 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.34067542,
7.7447312,
-0.01615449
],
[
-3.34067542,
7.7447312,
-0.01615449
],
[
0,
4.27118815,
6.11180871
]
] |
agm005266151
|
[
[
1.67033771,
3.8723656,
-0.008077245
],
[
-1.67033771,
6.007959675,
3.04782711
],
[
0.8131123796069919,
4.037824228210597,
2.71675153788526
],
[
0.8131123796069919,
13.587232246789405,
0.30684383711474006
],
[
-0.8131123796069919,
15.722826321789405,
3.36274819211474
],
[
-0.8131123796069919,
6.173418303210598,
5.77265589288526
],
[
-2.5073219548367365,
11.196177045602697,
4.012647963336936
],
[
-2.5073219548367365,
10.700067579397304,
5.122756121663064
],
[
2.5073219548367365,
8.564473504397304,
2.0668517666630644
],
[
2.5073219548367365,
9.060582970602697,
0.9567436083369361
],
[
-1.8694052510091346,
11.106117362339852,
1.8192098348601005
],
[
-1.8694052510091346,
6.518939112660148,
1.2043855401398997
],
[
1.8694052510091346,
8.65453318766015,
4.2602898951399
],
[
1.8694052510091346,
13.241711437339852,
4.8751141898601
],
[
0.20463641352751993,
5.1194158140978185,
2.5008346857484187
],
[
0.20463641352752004,
12.505640660902184,
0.5227606892515814
],
[
-0.20463641352752004,
14.641234735902184,
3.5786650442515815
],
[
-0.20463641352751993,
7.255009889097819,
5.556739040748418
],
[
-0.8960747463940262,
14.341017433703275,
5.866364135938543
],
[
-0.8960747463940264,
7.555227191296726,
3.2690399490614572
],
[
0.8960747463940264,
5.419633116296726,
0.21313559406145707
],
[
0.8960747463940262,
12.205423358703275,
2.810459780938543
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.72445033,
0,
0
],
[
0,
0.54474359,
-0.27201377
],
[
0,
-0.27201379,
2.53056086
]
] | -146.972843 | -158.492843 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01501424,
0.03792373,
-0.04063098
],
[
-0.01501424,
-0.03792373,
0.04063098
],
[
0.01501424,
-0.03792373,
0.04063098
],
[
0.01501424,
0.03792373,
-0.04063098
],
[
-0.01218334,
-0.00804152,
0.01939935
],
[
-0.01218334,
0.00804152,
-0.01939935
],
[
0.01218334,
0.00804152,
-0.01939935
],
[
0.01218334,
-0.00804152,
0.01939935
],
[
0.01491029,
-0.02581796,
0.00289851
],
[
0.01491029,
0.02581796,
-0.00289851
],
[
-0.01491029,
0.02581796,
-0.00289851
],
[
-0.01491029,
-0.02581796,
0.00289851
],
[
-0.00895327,
0.00002932,
0.01375578
],
[
-0.00895327,
-0.00002932,
-0.01375578
],
[
0.00895327,
-0.00002932,
-0.01375578
],
[
0.00895327,
0.00002932,
0.01375578
],
[
0.02293496,
0.00331928,
0.01193243
],
[
0.02293496,
-0.00331928,
-0.01193243
],
[
-0.02293496,
-0.00331928,
-0.01193243
],
[
-0.02293496,
0.00331928,
0.01193243
]
] |
pbe
| true | 15 |
agm005266151-pbe-380
| 380 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.33952013,
7.74790031,
-0.01571041
],
[
-3.33952013,
7.74790031,
-0.01571041
],
[
0,
4.27328782,
6.11250814
]
] |
agm005266151
|
[
[
1.669760065,
3.873950155,
-0.007855205
],
[
-1.669760065,
6.010594065,
3.0483988650000002
],
[
0.8127117969490406,
4.039661374715011,
2.7176265311341865
],
[
0.8127117969490407,
13.59278315528499,
0.30720671886581347
],
[
-0.8127117969490407,
15.72942706528499,
3.3634607888658135
],
[
-0.8127117969490406,
6.17630528471501,
5.773880601134187
],
[
-2.5072461254286464,
11.20103849065811,
4.013976787721113
],
[
-2.507246125428647,
10.70469385934189,
5.123364602278888
],
[
2.507246125428647,
8.56804994934189,
2.0671105322788876
],
[
2.5072461254286464,
9.06439458065811,
0.9577227177211124
],
[
-1.8687725890351097,
11.110844871219122,
1.8198394657460037
],
[
-1.8687725890351092,
6.521599658780878,
1.2049937842539962
],
[
1.8687725890351092,
8.658243568780879,
4.261247854253996
],
[
1.8687725890351097,
13.247488781219122,
4.876093535746004
],
[
0.20465597910279654,
5.12223196141682,
2.501330092323169
],
[
0.20465597910279687,
12.510212568583182,
0.5235031576768306
],
[
-0.20465597910279687,
14.646856478583182,
3.5797572276768306
],
[
-0.20465597910279654,
7.258875871416821,
5.557584162323169
],
[
-0.8940253718519948,
14.348448231756219,
5.868235710921616
],
[
-0.8940253718519948,
7.557284118243784,
3.269105679078384
],
[
0.8940253718519948,
5.420640208243783,
0.21285160907838432
],
[
0.8940253718519948,
12.211804321756219,
2.811981640921616
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-1.21735099,
0,
0
],
[
0,
-0.38811815,
-0.56390508
],
[
0,
-0.56390502,
2.36945462
]
] | -146.973023 | -158.493023 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.02037894,
0.05569026,
-0.06892504
],
[
-0.02037894,
-0.05569026,
0.06892504
],
[
0.02037894,
-0.05569026,
0.06892504
],
[
0.02037894,
0.05569026,
-0.06892504
],
[
-0.01078875,
0.01632565,
-0.03843686
],
[
-0.01078875,
-0.01632565,
0.03843686
],
[
0.01078875,
-0.01632565,
0.03843686
],
[
0.01078875,
0.01632565,
-0.03843686
],
[
-0.00185265,
-0.01083689,
0.03084207
],
[
-0.00185265,
0.01083689,
-0.03084207
],
[
0.00185265,
0.01083689,
-0.03084207
],
[
0.00185265,
-0.01083689,
0.03084207
],
[
0.01195448,
-0.03876558,
0.02281432
],
[
0.01195448,
0.03876558,
-0.02281432
],
[
-0.01195448,
0.03876558,
-0.02281432
],
[
-0.01195448,
-0.03876558,
0.02281432
],
[
0.0199934,
0.00391824,
0.01179485
],
[
0.0199934,
-0.00391824,
-0.01179485
],
[
-0.0199934,
-0.00391824,
-0.01179485
],
[
-0.0199934,
0.00391824,
0.01179485
]
] |
pbe
| true | 15 |
agm005266151-pbe-381
| 381 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.33784284,
7.75125589,
-0.01559258
],
[
-3.33784284,
7.75125589,
-0.01559258
],
[
0,
4.27523531,
6.11437446
]
] |
agm005266151
|
[
[
1.66892142,
3.875627945,
-0.00779629
],
[
-1.66892142,
6.0132456,
3.04939094
],
[
0.8119669203443833,
4.0420344653682525,
2.718315485313527
],
[
0.8119669203443833,
13.598094969631749,
0.30768658468647253
],
[
-0.8119669203443833,
15.735712624631748,
3.3648738146864723
],
[
-0.8119669203443833,
6.179652120368253,
5.775502715313528
],
[
-2.506996012442868,
11.206168898262195,
4.0153987806115845
],
[
-2.506996012442868,
10.709195846737805,
5.124977749388414
],
[
2.506996012442868,
8.571578191737805,
2.0677905193884145
],
[
2.506996012442868,
9.068551243262196,
0.9582115506115851
],
[
-1.8678680350375136,
11.11566717856185,
1.8206897003224911
],
[
-1.8678680350375139,
6.524462256438149,
1.2053123696775088
],
[
1.8678680350375139,
8.662079911438148,
4.262499599677509
],
[
1.8678680350375136,
13.25328483356185,
4.877876930322491
],
[
0.20477385444601437,
5.12476692765364,
2.5023891103513836
],
[
0.2047738544460147,
12.515362507346362,
0.5236129596486164
],
[
-0.2047738544460147,
14.652980162346362,
3.5808001896486163
],
[
-0.20477385444601437,
7.26238458265364,
5.559576340351383
],
[
-0.8913943954571653,
14.356190864191117,
5.871003483073898
],
[
-0.8913943954571651,
7.559173880808884,
3.269373046926101
],
[
0.8913943954571651,
5.421556225808884,
0.2121858169261014
],
[
0.8913943954571653,
12.218573209191117,
2.813816253073899
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-1.32068031,
0,
0
],
[
0,
-0.52821512,
-0.31969446
],
[
0,
-0.3196945,
0.78633072
]
] | -146.973627 | -158.493627 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00543474,
0.02109978,
-0.0547801
],
[
-0.00543474,
-0.02109978,
0.0547801
],
[
0.00543474,
-0.02109978,
0.0547801
],
[
0.00543474,
0.02109978,
-0.0547801
],
[
-0.00864558,
0.00717028,
-0.02353248
],
[
-0.00864558,
-0.00717028,
0.02353248
],
[
0.00864558,
-0.00717028,
0.02353248
],
[
0.00864558,
0.00717028,
-0.02353248
],
[
-0.01387644,
0.00509483,
0.04007377
],
[
-0.01387644,
-0.00509483,
-0.04007377
],
[
0.01387644,
-0.00509483,
-0.04007377
],
[
0.01387644,
0.00509483,
0.04007377
],
[
0.00743231,
-0.03016777,
0.01640952
],
[
0.00743231,
0.03016777,
-0.01640952
],
[
-0.00743231,
0.03016777,
-0.01640952
],
[
-0.00743231,
-0.03016777,
0.01640952
],
[
0.01669875,
0.00427691,
0.01120464
],
[
0.01669875,
-0.00427691,
-0.01120464
],
[
-0.01669875,
-0.00427691,
-0.01120464
],
[
-0.01669875,
0.00427691,
0.01120464
]
] |
pbe
| true | 15 |
agm005266151-pbe-382
| 382 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.33536867,
7.75620568,
-0.01541876
],
[
-3.33536867,
7.75620568,
-0.01541876
],
[
0,
4.27810803,
6.11712746
]
] |
agm005266151
|
[
[
1.667684335,
3.87810284,
-0.00770938
],
[
-1.667684335,
6.017156855,
3.05085435
],
[
0.8108685483452804,
4.04553554470599,
2.71933166556409
],
[
0.81086854834528,
13.60592983029401,
0.3083945444359098
],
[
-0.81086854834528,
15.744983845294009,
3.36695827443591
],
[
-0.8108685483452804,
6.18458955970599,
5.777895395564091
],
[
-2.506625947659563,
11.21373685674196,
4.017496392204354
],
[
-2.5066259476595625,
10.715836548258041,
5.127357277795646
],
[
2.5066259476595625,
8.57678253325804,
2.068793547795646
],
[
2.506625947659563,
9.074682841741959,
0.9589326622043537
],
[
-1.866533678515528,
11.122780597475266,
1.8219439799164645
],
[
-1.8665336785155275,
6.528684777524733,
1.2057822300835357
],
[
1.8665336785155275,
8.667738792524734,
4.264345960083536
],
[
1.866533678515528,
13.261834612475266,
4.880507709916464
],
[
0.20494753146963574,
5.128506652898727,
2.5039514907774905
],
[
0.20494753146963562,
12.522958722101272,
0.5237747192225096
],
[
-0.20494753146963562,
14.662012737101271,
3.5823384492225094
],
[
-0.20494753146963574,
7.267560667898727,
5.56251522077749
],
[
-0.8875158873945546,
14.367613375680373,
5.875086802859019
],
[
-0.8875158873945543,
7.561960029319628,
3.269766867140981
],
[
0.8875158873945543,
5.4229060143196275,
0.2112031371409808
],
[
0.8875158873945546,
12.228559360680372,
2.816523072859019
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-1.46382906,
0,
0
],
[
0,
-0.71308252,
0.04062778
],
[
0,
0.04062771,
-1.51330516
]
] | -146.97408 | -158.49408 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01660276,
-0.03038361,
-0.03350791
],
[
0.01660276,
0.03038361,
0.03350791
],
[
-0.01660276,
0.03038361,
0.03350791
],
[
-0.01660276,
-0.03038361,
-0.03350791
],
[
-0.00526792,
-0.00654461,
-0.00140245
],
[
-0.00526792,
0.00654461,
0.00140245
],
[
0.00526792,
0.00654461,
0.00140245
],
[
0.00526792,
-0.00654461,
-0.00140245
],
[
-0.03154211,
0.02846734,
0.05306425
],
[
-0.03154211,
-0.02846734,
-0.05306425
],
[
0.03154211,
-0.02846734,
-0.05306425
],
[
0.03154211,
0.02846734,
0.05306425
],
[
0.00045026,
-0.01727275,
0.00717131
],
[
0.00045026,
0.01727275,
-0.00717131
],
[
-0.00045026,
0.01727275,
-0.00717131
],
[
-0.00045026,
-0.01727275,
0.00717131
],
[
0.0118325,
0.0053257,
0.01059121
],
[
0.0118325,
-0.0053257,
-0.01059121
],
[
-0.0118325,
-0.0053257,
-0.01059121
],
[
-0.0118325,
0.0053257,
0.01059121
]
] |
pbe
| true | 15 |
agm005266151-pbe-383
| 383 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.33444174,
7.7580601,
-0.01535364
],
[
-3.33444174,
7.7580601,
-0.01535364
],
[
0,
4.27918428,
6.11815886
]
] |
agm005266151
|
[
[
1.66722087,
3.87903005,
-0.00767682
],
[
-1.66722087,
6.01862219,
3.0514026100000002
],
[
0.8104571052343794,
4.046847264258572,
2.719712342723081
],
[
0.810457105234379,
13.608865075741427,
0.3086598072769192
],
[
-0.810457105234379,
15.748457215741427,
3.3677392372769193
],
[
-0.8104571052343794,
6.1864394042585715,
5.778791772723081
],
[
-2.5064871517349703,
11.216572188705399,
4.018282288160092
],
[
-2.5064871517349707,
10.718324431294603,
5.128248721839909
],
[
2.5064871517349707,
8.578732291294603,
2.0691692918399087
],
[
2.5064871517349703,
9.076980048705398,
0.9592028581600917
],
[
-1.8660337576834296,
11.12544558289537,
1.8224138927025082
],
[
-1.8660337576834296,
6.530266757104631,
1.205958257297492
],
[
1.8660337576834296,
8.66985889710463,
4.265037687297492
],
[
1.8660337576834296,
13.26503772289537,
4.881493322702508
],
[
0.2050125818661942,
5.129907716211729,
2.5045368729266317
],
[
0.2050125818661943,
12.525804623788268,
0.5238352770733684
],
[
-0.2050125818661943,
14.66539676378827,
3.5829147070733685
],
[
-0.2050125818661942,
7.269499856211731,
5.563616302926632
],
[
-0.886063137546409,
14.371892929726716,
5.8766166788117955
],
[
-0.8860631375464092,
7.563003690273284,
3.269914331188205
],
[
0.8860631375464092,
5.423411550273284,
0.21083490118820442
],
[
0.886063137546409,
12.232300789726716,
2.8175372488117953
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-1.50745175,
0,
0
],
[
0,
-0.78132175,
0.17552244
],
[
0,
0.17552244,
-2.38330172
]
] | -146.974113 | -158.494113 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.02474206,
-0.04909126,
-0.0257437
],
[
0.02474206,
0.04909126,
0.0257437
],
[
-0.02474206,
0.04909126,
0.0257437
],
[
-0.02474206,
-0.04909126,
-0.0257437
],
[
-0.00409281,
-0.0115231,
0.00700546
],
[
-0.00409281,
0.0115231,
-0.00700546
],
[
0.00409281,
0.0115231,
-0.00700546
],
[
0.00409281,
-0.0115231,
0.00700546
],
[
-0.03774801,
0.03766102,
0.0577334
],
[
-0.03774801,
-0.03766102,
-0.0577334
],
[
0.03774801,
-0.03766102,
-0.0577334
],
[
0.03774801,
0.03766102,
0.0577334
],
[
-0.00224386,
-0.01228718,
0.00340337
],
[
-0.00224386,
0.01228718,
-0.00340337
],
[
0.00224386,
0.01228718,
-0.00340337
],
[
0.00224386,
-0.01228718,
0.00340337
],
[
0.00986705,
0.00604582,
0.00997052
],
[
0.00986705,
-0.00604582,
-0.00997052
],
[
-0.00986705,
-0.00604582,
-0.00997052
],
[
-0.00986705,
0.00604582,
0.00997052
]
] |
pbe
| true | 15 |
agm005266151-pbe-384
| 384 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.33172055,
7.76151128,
-0.01503193
],
[
-3.33172055,
7.76151128,
-0.01503193
],
[
0,
4.28134281,
6.118777
]
] |
agm005266151
|
[
[
1.665860275,
3.88075564,
-0.007515965
],
[
-1.665860275,
6.021427044999999,
3.0518725349999998
],
[
0.8097163412506695,
4.048808205945405,
2.719501797755282
],
[
0.8097163412506698,
13.614885759054594,
0.3098228422447177
],
[
-0.8097163412506698,
15.755557164054593,
3.3692113422447174
],
[
-0.8097163412506695,
6.189479610945405,
5.778890297755282
],
[
-2.5057608383314767,
11.221840304032876,
4.0192146626345195
],
[
-2.505760838331477,
10.723196470967125,
5.12888697736548
],
[
2.505760838331477,
8.582525065967124,
2.0694984773654808
],
[
2.5057608383314767,
9.081168899032876,
0.9598261626345191
],
[
-1.865075107899959,
11.130969051359465,
1.8239804781607678
],
[
-1.8650751078999588,
6.532724913640535,
1.2053441618392322
],
[
1.8650751078999588,
8.673396318640535,
4.264732661839232
],
[
1.865075107899959,
13.271640456359465,
4.883368978160767
],
[
0.20509035540708942,
5.132470972814391,
2.505280363284426
],
[
0.2050903554070893,
12.531222992185608,
0.5240442767155736
],
[
-0.2050903554070893,
14.671894397185607,
3.5834327767155734
],
[
-0.20509035540708942,
7.273142377814391,
5.564668863284426
],
[
-0.8824736216914322,
14.380412017200527,
5.878794107325424
],
[
-0.882473621691432,
7.564624757799473,
3.269307532674575
],
[
0.882473621691432,
5.423953352799473,
0.20991903267457498
],
[
0.8824736216914322,
12.239740612200526,
2.819405607325425
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-1.0586862,
0,
0
],
[
0,
-0.00380724,
0.85896303
],
[
0,
0.85896299,
-1.85821676
]
] | -146.974638 | -158.494638 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00196632,
-0.04297572,
0.04445453
],
[
-0.00196632,
0.04297572,
-0.04445453
],
[
0.00196632,
0.04297572,
-0.04445453
],
[
0.00196632,
-0.04297572,
0.04445453
],
[
-0.00270715,
-0.00273872,
-0.01451637
],
[
-0.00270715,
0.00273872,
0.01451637
],
[
0.00270715,
0.00273872,
0.01451637
],
[
0.00270715,
-0.00273872,
-0.01451637
],
[
-0.00666126,
0.01105363,
0.00758414
],
[
-0.00666126,
-0.01105363,
-0.00758414
],
[
0.00666126,
-0.01105363,
-0.00758414
],
[
0.00666126,
0.01105363,
0.00758414
],
[
-0.00990753,
0.00144023,
-0.00497901
],
[
-0.00990753,
-0.00144023,
0.00497901
],
[
0.00990753,
-0.00144023,
0.00497901
],
[
0.00990753,
0.00144023,
-0.00497901
],
[
0.00845464,
0.00184419,
0.00867821
],
[
0.00845464,
-0.00184419,
-0.00867821
],
[
-0.00845464,
-0.00184419,
-0.00867821
],
[
-0.00845464,
0.00184419,
0.00867821
]
] |
pbe
| true | 15 |
agm005266151-pbe-385
| 385 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.33049972,
7.76305961,
-0.0148876
],
[
-3.33049972,
7.76305961,
-0.0148876
],
[
0,
4.2823112,
6.11905432
]
] |
agm005266151
|
[
[
1.66524986,
3.881529805,
-0.0074438
],
[
-1.66524986,
6.022685405,
3.05208336
],
[
0.8093840035488987,
4.0496880391886,
2.71940733902117
],
[
0.8093840035488991,
13.617586780811399,
0.31034462097882964
],
[
-0.8093840035488991,
15.7587423808114,
3.36987178097883
],
[
-0.8093840035488987,
6.1908436391886,
5.778934499021171
],
[
-2.5054347579244225,
11.224203721502905,
4.019632984638964
],
[
-2.5054347579244225,
10.725382298497093,
5.129173295361037
],
[
2.5054347579244225,
8.584226698497094,
2.069646135361036
],
[
2.5054347579244225,
9.083048121502905,
0.960105824638964
],
[
-1.864644879936568,
11.133447047773492,
1.8246832788760257
],
[
-1.8646448799365678,
6.533827772226508,
1.2050686811239744
],
[
1.8646448799365678,
8.674983372226508,
4.264595841123974
],
[
1.864644879936568,
13.274602647773492,
4.884210438876026
],
[
0.2051252446198195,
5.133620978683489,
2.5056139160434974
],
[
0.20512524461981974,
12.533653841316513,
0.5241380439565032
],
[
-0.20512524461981974,
14.674809441316512,
3.583665203956503
],
[
-0.2051252446198195,
7.274776578683489,
5.5651410760434965
],
[
-0.8808637214194941,
14.384234203714133,
5.8797709459501615
],
[
-0.880863721419494,
7.565351816285867,
3.2690353340498386
],
[
0.880863721419494,
5.424196216285867,
0.2095081740498392
],
[
0.8808637214194941,
12.243078603714133,
2.8202437859501606
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.8400524,
0,
0
],
[
0,
0.365806,
1.16745089
],
[
0,
1.1674509,
-1.60417677
]
] | -146.9747 | -158.4947 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01413589,
-0.04009516,
0.07604731
],
[
-0.01413589,
0.04009516,
-0.07604731
],
[
0.01413589,
0.04009516,
-0.07604731
],
[
0.01413589,
-0.04009516,
0.07604731
],
[
-0.00220029,
0.00119973,
-0.02402701
],
[
-0.00220029,
-0.00119973,
0.02402701
],
[
0.00220029,
-0.00119973,
0.02402701
],
[
0.00220029,
0.00119973,
-0.02402701
],
[
0.0072248,
-0.00089346,
-0.01510252
],
[
0.0072248,
0.00089346,
0.01510252
],
[
-0.0072248,
0.00089346,
0.01510252
],
[
-0.0072248,
-0.00089346,
-0.01510252
],
[
-0.01358264,
0.00765875,
-0.00864748
],
[
-0.01358264,
-0.00765875,
0.00864748
],
[
0.01358264,
-0.00765875,
0.00864748
],
[
0.01358264,
0.00765875,
-0.00864748
],
[
0.00755769,
0.00038104,
0.0081587
],
[
0.00755769,
-0.00038104,
-0.0081587
],
[
-0.00755769,
-0.00038104,
-0.0081587
],
[
-0.00755769,
0.00038104,
0.0081587
]
] |
pbe
| true | 15 |
agm005266151-pbe-386
| 386 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.32785585,
7.76631966,
-0.01338843
],
[
-3.32785585,
7.76631966,
-0.01338843
],
[
0,
4.28529096,
6.11891712
]
] |
agm005266151
|
[
[
1.663927925,
3.88315983,
-0.006694215
],
[
-1.663927925,
6.02580531,
3.052764345
],
[
0.8084625113730661,
4.051349594582493,
2.7204272776964777
],
[
0.8084625113730661,
13.623935205417508,
0.3122544223035222
],
[
-0.8084625113730661,
15.766580685417509,
3.3717129823035217
],
[
-0.8084625113730661,
6.193995074582492,
5.779885837696478
],
[
-2.5045782901182285,
11.229806391661526,
4.020949787534021
],
[
-2.5045782901182285,
10.730769368338475,
5.130649032465978
],
[
2.5045782901182285,
8.588123888338474,
2.071190472465979
],
[
2.5045782901182285,
9.087160911661528,
0.961491227534021
],
[
-1.8635260298927416,
11.138879591089562,
1.8271255499267032
],
[
-1.8635260298927419,
6.536405208910438,
1.2055561500732968
],
[
1.8635260298927419,
8.679050688910438,
4.265014710073297
],
[
1.8635260298927416,
13.281525071089561,
4.8865841099267024
],
[
0.20496210934456405,
5.136524420642428,
2.5063706894233837
],
[
0.20496210934456416,
12.538760379357571,
0.5263110105766164
],
[
-0.20496210934456416,
14.68140585935757,
3.585769570576616
],
[
-0.20496210934456405,
7.279169900642429,
5.565829249423384
],
[
-0.8776620457536415,
14.392986237168857,
5.882705983802313
],
[
-0.8776620457536415,
7.567589522831143,
3.268892836197687
],
[
0.8776620457536415,
5.424944042831142,
0.20943427619768668
],
[
0.8776620457536415,
12.250340757168857,
2.823247423802313
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.77423231,
0,
0
],
[
0,
0.34005281,
1.10071523
],
[
0,
1.10071521,
-0.40502025
]
] | -146.975219 | -158.495219 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.03571929,
0.01081481,
0.04368575
],
[
-0.03571929,
-0.01081481,
-0.04368575
],
[
0.03571929,
-0.01081481,
-0.04368575
],
[
0.03571929,
0.01081481,
0.04368575
],
[
-0.00178855,
-0.02335995,
0.0316516
],
[
-0.00178855,
0.02335995,
-0.0316516
],
[
0.00178855,
0.02335995,
-0.0316516
],
[
0.00178855,
-0.02335995,
0.0316516
],
[
0.01720712,
-0.01525149,
-0.02423873
],
[
0.01720712,
0.01525149,
0.02423873
],
[
-0.01720712,
0.01525149,
0.02423873
],
[
-0.01720712,
-0.01525149,
-0.02423873
],
[
-0.00212148,
-0.01614036,
-0.00237672
],
[
-0.00212148,
0.01614036,
0.00237672
],
[
0.00212148,
0.01614036,
0.00237672
],
[
0.00212148,
-0.01614036,
-0.00237672
],
[
0.00588131,
-0.00117242,
0.00829547
],
[
0.00588131,
0.00117242,
-0.00829547
],
[
-0.00588131,
0.00117242,
-0.00829547
],
[
-0.00588131,
-0.00117242,
0.00829547
]
] |
pbe
| true | 15 |
agm005266151-pbe-387
| 387 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.32612947,
7.76844838,
-0.0124095
],
[
-3.32612947,
7.76844838,
-0.0124095
],
[
0,
4.28723667,
6.11882752
]
] |
agm005266151
|
[
[
1.663064735,
3.88422419,
-0.00620475
],
[
-1.663064735,
6.0278425250000005,
3.05320901
],
[
0.8078608695040199,
4.052434503486083,
2.7210931521846473
],
[
0.8078608695040197,
13.628080591513918,
0.313501607815353
],
[
-0.8078608695040197,
15.771698926513917,
3.3729153678153527
],
[
-0.8078608695040199,
6.196052838486083,
5.780506912184647
],
[
-2.5040186968367224,
11.23346476177107,
4.021809629011049
],
[
-2.504018696836722,
10.734287003228932,
5.131612650988951
],
[
2.504018696836722,
8.59066866822893,
2.0721988909889513
],
[
2.5040186968367224,
9.08984642677107,
0.9623958690110483
],
[
-1.8627953172375566,
11.14242707981467,
1.8287203289970713
],
[
-1.8627953172375569,
6.5380880151853304,
1.205874431002929
],
[
1.8627953172375569,
8.68170635018533,
4.265288191002929
],
[
1.8627953172375566,
13.28604541481467,
4.888134088997071
],
[
0.20485561557011134,
5.138420479967752,
2.5068649189077874
],
[
0.20485561557011112,
12.542094615032248,
0.5277298410922127
],
[
-0.20485561557011112,
14.685712950032249,
3.587143601092212
],
[
-0.20485561557011134,
7.282038814967752,
5.566278678907787
],
[
-0.8755723173604821,
14.398701480072257,
5.8846225422730845
],
[
-0.8755723173604819,
7.5690502849277435,
3.268799737726915
],
[
0.8755723173604819,
5.425431949927743,
0.2093859777269152
],
[
0.8755723173604821,
12.255083145072255,
2.8252087822730845
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.7467414,
0,
0
],
[
0,
0.30609607,
1.0593757
],
[
0,
1.0593757,
0.36236018
]
] | -146.975343 | -158.495343 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.04992925,
0.04404583,
0.02273811
],
[
-0.04992925,
-0.04404583,
-0.02273811
],
[
0.04992925,
-0.04404583,
-0.02273811
],
[
0.04992925,
0.04404583,
0.02273811
],
[
-0.00171962,
-0.03949604,
0.06831618
],
[
-0.00171962,
0.03949604,
-0.06831618
],
[
0.00171962,
0.03949604,
-0.06831618
],
[
0.00171962,
-0.03949604,
0.06831618
],
[
0.02354078,
-0.02468153,
-0.02961774
],
[
0.02354078,
0.02468153,
0.02961774
],
[
-0.02354078,
0.02468153,
0.02961774
],
[
-0.02354078,
-0.02468153,
-0.02961774
],
[
0.0054859,
-0.03183912,
0.00171937
],
[
0.0054859,
0.03183912,
-0.00171937
],
[
-0.0054859,
0.03183912,
-0.00171937
],
[
-0.0054859,
-0.03183912,
0.00171937
],
[
0.00476421,
-0.00248459,
0.00833628
],
[
0.00476421,
0.00248459,
-0.00833628
],
[
-0.00476421,
0.00248459,
-0.00833628
],
[
-0.00476421,
-0.00248459,
0.00833628
]
] |
pbe
| true | 15 |
agm005266151-pbe-388
| 388 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.32391453,
7.77112951,
-0.01061043
],
[
-3.32391453,
7.77112951,
-0.01061043
],
[
0,
4.29013405,
6.11925995
]
] |
agm005266151
|
[
[
1.661957265,
3.885564755,
-0.005305215
],
[
-1.661957265,
6.03063178,
3.05432476
],
[
0.8066686517585202,
4.054422200876184,
2.722492913973331
],
[
0.8066686517585202,
13.632903844123817,
0.31591620102666873
],
[
-0.8066686517585202,
15.777970869123816,
3.3755461760266687
],
[
-0.8066686517585202,
6.199489225876183,
5.782122888973332
],
[
-2.503231888952402,
11.238011638912159,
4.024481026021646
],
[
-2.5032318889524015,
10.739448456087839,
5.1331880389783535
],
[
2.5032318889524015,
8.59438143108784,
2.0735580639783544
],
[
2.503231888952402,
9.09294461391216,
0.964851051021646
],
[
-1.8616230823815443,
11.146788316925296,
1.8313153405177656
],
[
-1.8616230823815447,
6.540537728074703,
1.2070937744822343
],
[
1.8616230823815447,
8.685604753074703,
4.266723749482234
],
[
1.8616230823815443,
13.291855341925295,
4.890945315517765
],
[
0.2047674611196244,
5.140695174028128,
2.507963159708131
],
[
0.20476746111962418,
12.546630870971873,
0.5304459552918693
],
[
-0.20476746111962418,
14.691697895971872,
3.5900759302918694
],
[
-0.2047674611196244,
7.285762199028127,
5.56759313470813
],
[
-0.873034560808261,
14.406217826534032,
5.888320897759144
],
[
-0.8730345608082608,
7.5712422684659675,
3.269348167240856
],
[
0.8730345608082608,
5.426175243465967,
0.2097181922408564
],
[
0.873034560808261,
12.261150801534031,
2.8286909227591437
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.70714416,
0,
0
],
[
0,
0.75064609,
0.09278219
],
[
0,
0.09278217,
1.55471564
]
] | -146.975722 | -158.495722 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.02819117,
0.03020983,
-0.0102099
],
[
-0.02819117,
-0.03020983,
0.0102099
],
[
0.02819117,
-0.03020983,
0.0102099
],
[
0.02819117,
0.03020983,
-0.0102099
],
[
-0.0015342,
0.00427661,
-0.03019889
],
[
-0.0015342,
-0.00427661,
0.03019889
],
[
0.0015342,
-0.00427661,
0.03019889
],
[
0.0015342,
0.00427661,
-0.03019889
],
[
0.00923439,
-0.01534712,
-0.00735479
],
[
0.00923439,
0.01534712,
0.00735479
],
[
-0.00923439,
0.01534712,
0.00735479
],
[
-0.00923439,
-0.01534712,
-0.00735479
],
[
0.00098249,
-0.02613795,
0.00151977
],
[
0.00098249,
0.02613795,
-0.00151977
],
[
-0.00098249,
0.02613795,
-0.00151977
],
[
-0.00098249,
-0.02613795,
0.00151977
],
[
0.00292556,
-0.00229959,
0.00920893
],
[
0.00292556,
0.00229959,
-0.00920893
],
[
-0.00292556,
0.00229959,
-0.00920893
],
[
-0.00292556,
-0.00229959,
0.00920893
]
] |
pbe
| true | 15 |
agm005266151-pbe-389
| 389 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.54011563,
7.15717972,
-0.0231601
],
[
-3.54011563,
7.15717972,
-0.0231601
],
[
0,
3.94688286,
6.09837446
]
] |
agm005266151
|
[
[
1.770057815,
3.57858986,
-0.01158005
],
[
-1.770057815,
5.55203129,
3.0376071799999997
],
[
0.7892773467883247,
3.7488589190708934,
2.684402672991492
],
[
0.7892773467883241,
12.538941950929107,
0.3184643570085082
],
[
-0.7892773467883241,
14.512383380929107,
3.367651587008508
],
[
-0.7892773467883247,
5.722300349070894,
5.733589902991492
],
[
-2.721396734568999,
10.354161058216123,
3.990182989470469
],
[
-2.7213967345689984,
9.880522671783877,
5.111058500529531
],
[
2.7213967345689984,
7.907081241783877,
2.0618712705295312
],
[
2.721396734568999,
8.380719628216124,
0.9409957594704688
],
[
-2.0238408808591575,
10.250726293624762,
1.8209038945971006
],
[
-2.0238408808591575,
6.037074576375238,
1.1819631354028994
],
[
2.0238408808591575,
8.010516006375237,
4.231150365402899
],
[
2.0238408808591575,
12.224167723624763,
4.8700911245971
],
[
0.11450581887778855,
4.779253182232945,
2.417364304222594
],
[
0.11450581887778855,
11.508547687767058,
0.5855027257774059
],
[
-0.11450581887778855,
13.481989117767057,
3.6346899557774055
],
[
-0.11450581887778855,
6.752694612232945,
5.466551534222593
],
[
-1.085212746459674,
13.090279831059368,
5.860576627535534
],
[
-1.0852127464596735,
7.1444038989406335,
3.2406648624644663
],
[
1.0852127464596735,
5.170962468940633,
0.1914776324644666
],
[
1.085212746459674,
11.116838401059367,
2.811389397535533
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.98948392,
0,
0
],
[
0,
-3.0363051,
1.31792895
],
[
0,
1.31792898,
-3.0264143
]
] | -146.822605 | -158.342605 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.05860319,
-0.00996076,
0.02829036
],
[
0.05860319,
0.00996076,
-0.02829036
],
[
-0.05860319,
0.00996076,
-0.02829036
],
[
-0.05860319,
-0.00996076,
0.02829036
],
[
-0.02055969,
-0.00381806,
0.04523637
],
[
-0.02055969,
0.00381806,
-0.04523637
],
[
0.02055969,
0.00381806,
-0.04523637
],
[
0.02055969,
-0.00381806,
0.04523637
],
[
0.01420473,
0.02180744,
-0.0611075
],
[
0.01420473,
-0.02180744,
0.0611075
],
[
-0.01420473,
-0.02180744,
0.0611075
],
[
-0.01420473,
0.02180744,
-0.0611075
],
[
0.01607381,
-0.01684825,
0.07406948
],
[
0.01607381,
0.01684825,
-0.07406948
],
[
-0.01607381,
0.01684825,
-0.07406948
],
[
-0.01607381,
-0.01684825,
0.07406948
],
[
0.02929566,
0.05762064,
0.00106778
],
[
0.02929566,
-0.05762064,
-0.00106778
],
[
-0.02929566,
-0.05762064,
-0.00106778
],
[
-0.02929566,
0.05762064,
0.00106778
]
] |
pbe
| true | 15 |
agm005266151-pbe-39
| 39 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.32320103,
7.77199318,
-0.0100309
],
[
-3.32320103,
7.77199318,
-0.0100309
],
[
0,
4.29106739,
6.11939924
]
] |
agm005266151
|
[
[
1.661600515,
3.88599659,
-0.00501545
],
[
-1.661600515,
6.0315302850000005,
3.05468417
],
[
0.8062846711815869,
4.055062446245563,
2.7229437826468486
],
[
0.806284671181587,
13.634457608754438,
0.31669403735315116
],
[
-0.806284671181587,
15.77999130375444,
3.3763936573531512
],
[
-0.8062846711815869,
6.200596141245562,
5.782643402646849
],
[
-2.5029784216824593,
11.239476341246135,
4.025341549177742
],
[
-2.502978421682459,
10.741111103753866,
5.133695510822259
],
[
2.502978421682459,
8.595577408753865,
2.0739958908222587
],
[
2.5029784216824593,
9.093942646246136,
0.9656419291777415
],
[
-1.8612454723983831,
11.148193179962213,
1.8321512805457654
],
[
-1.861245472398383,
6.541326875037785,
1.2074865394542342
],
[
1.861245472398383,
8.686860570037785,
4.267186159454234
],
[
1.8612454723983831,
13.293726874962214,
4.891850900545766
],
[
0.20473902579324943,
5.14142787528578,
2.5083169143342143
],
[
0.20473902579324887,
12.548092179714219,
0.5313209056657855
],
[
-0.20473902579324887,
14.69362587471422,
3.5910205256657854
],
[
-0.20473902579324943,
7.28696157028578,
5.568016534334214
],
[
-0.8722172122408591,
14.408639185009754,
5.889512297444469
],
[
-0.8722172122408591,
7.571948259990245,
3.2695247625555317
],
[
0.8722172122408591,
5.426414564990245,
0.20982514255553178
],
[
0.8722172122408591,
12.263105490009755,
2.829812677444468
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.69558618,
0,
0
],
[
0,
0.87296508,
-0.22271621
],
[
0,
-0.22271627,
1.93394664
]
] | -146.97575 | -158.49575 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.02168344,
0.0262691,
-0.0205298
],
[
-0.02168344,
-0.0262691,
0.0205298
],
[
0.02168344,
-0.0262691,
0.0205298
],
[
0.02168344,
0.0262691,
-0.0205298
],
[
-0.00173609,
0.01838459,
-0.0618486
],
[
-0.00173609,
-0.01838459,
0.0618486
],
[
0.00173609,
-0.01838459,
0.0618486
],
[
0.00173609,
0.01838459,
-0.0618486
],
[
0.00458765,
-0.01222224,
0.00002413
],
[
0.00458765,
0.01222224,
-0.00002413
],
[
-0.00458765,
0.01222224,
-0.00002413
],
[
-0.00458765,
-0.01222224,
0.00002413
],
[
-0.00029621,
-0.02441511,
0.00137883
],
[
-0.00029621,
0.02441511,
-0.00137883
],
[
0.00029621,
0.02441511,
-0.00137883
],
[
0.00029621,
-0.02441511,
0.00137883
],
[
0.00254489,
-0.00230014,
0.00928012
],
[
0.00254489,
0.00230014,
-0.00928012
],
[
-0.00254489,
0.00230014,
-0.00928012
],
[
-0.00254489,
-0.00230014,
0.00928012
]
] |
pbe
| true | 15 |
agm005266151-pbe-390
| 390 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.32145968,
7.77444077,
-0.00892133
],
[
-3.32145968,
7.77444077,
-0.00892133
],
[
0,
4.29329396,
6.12062063
]
] |
agm005266151
|
[
[
1.66072984,
3.887220385,
-0.004460665
],
[
-1.66072984,
6.033867365,
3.0558496500000003
],
[
0.8052011096745616,
4.056947010400621,
2.7240974430366087
],
[
0.8052011096745613,
13.638581509599378,
0.31837021196339144
],
[
-0.8052011096745613,
15.785228489599378,
3.3786805269633917
],
[
-0.8052011096745616,
6.203593990400621,
5.7844077580366084
],
[
-2.502298574934189,
11.243580882695138,
4.027072909087679
],
[
-2.502298574934189,
10.74524159730486,
5.136015375912321
],
[
2.502298574934189,
8.59859461730486,
2.075705060912322
],
[
2.502298574934189,
9.096933902695138,
0.9667625940876786
],
[
-1.8602747010668124,
11.151914501231076,
1.8340548399019743
],
[
-1.8602747010668128,
6.543614018768923,
1.2084128150980258
],
[
1.8602747010668128,
8.690260998768924,
4.268723130098025
],
[
1.8602747010668124,
13.298561481231076,
4.894365154901974
],
[
0.2046626990001439,
5.143120284240209,
2.5094105688694963
],
[
0.2046626990001439,
12.552408235759792,
0.5330570861305036
],
[
-0.2046626990001439,
14.699055215759792,
3.593367401130504
],
[
-0.2046626990001439,
7.289767264240209,
5.569720883869497
],
[
-0.8703704071887437,
14.414823479422942,
5.892875710438842
],
[
-0.8703704071887438,
7.573999000577056,
3.270212574561159
],
[
0.8703704071887438,
5.4273520205770565,
0.20990225956115893
],
[
0.8703704071887437,
12.268176499422943,
2.832565395438841
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.57474484,
0,
0
],
[
0,
1.22604513,
-0.45324313
],
[
0,
-0.45324311,
1.25084713
]
] | -146.975965 | -158.495965 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00934451,
-0.00782108,
-0.04434574
],
[
0.00934451,
0.00782108,
0.04434574
],
[
-0.00934451,
0.00782108,
0.04434574
],
[
-0.00934451,
-0.00782108,
-0.04434574
],
[
-0.00151359,
-0.00678937,
-0.00564479
],
[
-0.00151359,
0.00678937,
0.00564479
],
[
0.00151359,
0.00678937,
0.00564479
],
[
0.00151359,
-0.00678937,
-0.00564479
],
[
-0.00917535,
0.00059417,
0.01431993
],
[
-0.00917535,
-0.00059417,
-0.01431993
],
[
0.00917535,
-0.00059417,
-0.01431993
],
[
0.00917535,
0.00059417,
0.01431993
],
[
-0.01466955,
0.00047213,
-0.00469238
],
[
-0.01466955,
-0.00047213,
0.00469238
],
[
0.01466955,
-0.00047213,
0.00469238
],
[
0.01466955,
0.00047213,
-0.00469238
],
[
0.00015768,
0.00038001,
0.00977432
],
[
0.00015768,
-0.00038001,
-0.00977432
],
[
-0.00015768,
-0.00038001,
-0.00977432
],
[
-0.00015768,
0.00038001,
0.00977432
]
] |
pbe
| true | 15 |
agm005266151-pbe-391
| 391 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.32074626,
7.77544353,
-0.00846675
],
[
-3.32074626,
7.77544353,
-0.00846675
],
[
0,
4.29420617,
6.12112102
]
] |
agm005266151
|
[
[
1.66037313,
3.887721765,
-0.004233375
],
[
-1.66037313,
6.03482485,
3.056327135
],
[
0.8047572531573354,
4.057719087194459,
2.724570117312781
],
[
0.8047572531573355,
13.64027105780554,
0.3190568926872187
],
[
-0.8047572531573355,
15.787374142805541,
3.3796174026872188
],
[
-0.8047572531573354,
6.20482217219446,
5.785130627312782
],
[
-2.5020200220402735,
11.245262525716047,
4.027782204520712
],
[
-2.5020200220402735,
10.746933789283952,
5.136965825479289
],
[
2.5020200220402735,
8.599830704283953,
2.076405315479288
],
[
2.5020200220402735,
9.098159440716048,
0.9672216945207119
],
[
-1.8598770234306676,
11.153439149748248,
1.8348347297554926
],
[
-1.8598770234306676,
6.544550995251754,
1.208792280244508
],
[
1.8598770234306676,
8.691654080251753,
4.269352790244508
],
[
1.8598770234306676,
13.300542234748248,
4.8953952397554925
],
[
0.20463139131580865,
5.143813489382661,
2.5098585924407852
],
[
0.2046313913158091,
12.554176655617338,
0.5337684175592151
],
[
-0.2046313913158091,
14.70127974061734,
3.5943289275592156
],
[
-0.20463139131580865,
7.290916574382662,
5.570419102440785
],
[
-0.8696138849673676,
14.417357218242302,
5.894253718339092
],
[
-0.8696138849673679,
7.5748390967576995,
3.2704943116609084
],
[
0.8696138849673679,
5.427736011757699,
0.20993380166090791
],
[
0.8696138849673676,
12.270254133242302,
2.8336932083390924
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.518076,
0,
0
],
[
0,
1.35874372,
-0.55289093
],
[
0,
-0.5528909,
0.96524489
]
] | -146.975982 | -158.495982 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.02181462,
-0.02169212,
-0.05388346
],
[
0.02181462,
0.02169212,
0.05388346
],
[
-0.02181462,
0.02169212,
0.05388346
],
[
-0.02181462,
-0.02169212,
-0.05388346
],
[
-0.0016494,
-0.01710112,
0.01722375
],
[
-0.0016494,
0.01710112,
-0.01722375
],
[
0.0016494,
0.01710112,
-0.01722375
],
[
0.0016494,
-0.01710112,
0.01722375
],
[
-0.01492514,
0.00578386,
0.02038516
],
[
-0.01492514,
-0.00578386,
-0.02038516
],
[
0.01492514,
-0.00578386,
-0.02038516
],
[
0.01492514,
0.00578386,
0.02038516
],
[
-0.02045404,
0.01064481,
-0.00716039
],
[
-0.02045404,
-0.01064481,
0.00716039
],
[
0.02045404,
-0.01064481,
0.00716039
],
[
0.02045404,
0.01064481,
-0.00716039
],
[
-0.00043608,
0.00155809,
0.01019269
],
[
-0.00043608,
-0.00155809,
-0.01019269
],
[
0.00043608,
-0.00155809,
-0.01019269
],
[
0.00043608,
0.00155809,
0.01019269
]
] |
pbe
| true | 15 |
agm005266151-pbe-392
| 392 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.31901218,
7.77862837,
-0.0078541
],
[
-3.31901218,
7.77862837,
-0.0078541
],
[
0,
4.29644894,
6.12255131
]
] |
agm005266151
|
[
[
1.65950609,
3.889314185,
-0.00392705
],
[
-1.65950609,
6.0375386550000005,
3.057348605
],
[
0.8039598728850789,
4.059573036403146,
2.725102865977994
],
[
0.8039598728850788,
13.645908173596853,
0.3204645890220064
],
[
-0.8039598728850788,
15.794132643596853,
3.3817402440220063
],
[
-0.8039598728850789,
6.207797506403146,
5.786378520977994
],
[
-2.5013027681173226,
11.250002343672104,
4.029314692441133
],
[
-2.501302768117322,
10.751927806327895,
5.138804072558867
],
[
2.501302768117322,
8.603703336327895,
2.0775284175588675
],
[
2.5013027681173226,
9.101777873672106,
0.9680390374411332
],
[
-1.8590617637027438,
11.158164071933639,
1.8363667494338787
],
[
-1.8590617637027438,
6.547317138066361,
1.2092007055661214
],
[
1.8590617637027438,
8.69554160806636,
4.270476360566121
],
[
1.8590617637027438,
13.30638854193364,
4.897642404433879
],
[
0.20434447723653482,
5.145968072374379,
2.510738772978847
],
[
0.20434447723653504,
12.55951313762562,
0.5348286820211534
],
[
-0.20434447723653504,
14.70773760762562,
3.596104337021153
],
[
-0.20434447723653482,
7.29419254237438,
5.572014427978847
],
[
-0.8679047581078825,
14.424472617835363,
5.8971986579498745
],
[
-0.8679047581078819,
7.5774575321646385,
3.270920107050127
],
[
0.8679047581078819,
5.429233062164638,
0.2096444520501264
],
[
0.8679047581078825,
12.276248147835362,
2.8359230029498734
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.47591406,
0,
0
],
[
0,
1.12451008,
-0.28392933
],
[
0,
-0.28392932,
0.4331765
]
] | -146.976241 | -158.496241 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.02281569,
-0.03030981,
-0.03397803
],
[
0.02281569,
0.03030981,
0.03397803
],
[
-0.02281569,
0.03030981,
0.03397803
],
[
-0.02281569,
-0.03030981,
-0.03397803
],
[
-0.00216754,
-0.01738587,
0.02187427
],
[
-0.00216754,
0.01738587,
-0.02187427
],
[
0.00216754,
0.01738587,
-0.02187427
],
[
0.00216754,
-0.01738587,
0.02187427
],
[
-0.01466371,
0.00793311,
0.01124036
],
[
-0.01466371,
-0.00793311,
-0.01124036
],
[
0.01466371,
-0.00793311,
-0.01124036
],
[
0.01466371,
0.00793311,
0.01124036
],
[
-0.02044598,
0.01234328,
-0.01050455
],
[
-0.02044598,
-0.01234328,
0.01050455
],
[
0.02044598,
-0.01234328,
0.01050455
],
[
0.02044598,
0.01234328,
-0.01050455
],
[
-0.00290129,
0.00690846,
0.00994387
],
[
-0.00290129,
-0.00690846,
-0.00994387
],
[
0.00290129,
-0.00690846,
-0.00994387
],
[
0.00290129,
0.00690846,
0.00994387
]
] |
pbe
| true | 15 |
agm005266151-pbe-393
| 393 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.31380995,
7.78818287,
-0.00601614
],
[
-3.31380995,
7.78818287,
-0.00601614
],
[
0,
4.30317727,
6.12684215
]
] |
agm005266151
|
[
[
1.656904975,
3.894091435,
-0.00300807
],
[
-1.656904975,
6.0456800699999995,
3.060413005
],
[
0.8015695025235205,
4.065134512171973,
2.7267004942396844
],
[
0.8015695025235208,
13.662819862828027,
0.3246883007603157
],
[
-0.8015695025235208,
15.814408497828028,
3.388109375760316
],
[
-0.8015695025235205,
6.216723147171972,
5.790121569239684
],
[
-2.4991482139879198,
11.264221439548724,
4.033911936131785
],
[
-2.49914821398792,
10.766910205451277,
5.144319008868214
],
[
2.49914821398792,
8.615321570451277,
2.0808979338682145
],
[
2.4991482139879198,
9.112632804548724,
0.9704908611317854
],
[
-1.8566152774133964,
11.172339048871178,
1.8409633311475275
],
[
-1.8566152774133964,
6.555615326128823,
1.2104254638524725
],
[
1.8566152774133964,
8.707203961128823,
4.273846538852472
],
[
1.8566152774133964,
13.32392768387118,
4.9043844061475275
],
[
0.2034845993940485,
5.152431259587683,
2.5133792201071667
],
[
0.20348459939404817,
12.575523115412317,
0.5380095748928329
],
[
-0.20348459939404817,
14.727111750412316,
3.601430649892833
],
[
-0.2034845993940485,
7.304019894587683,
5.576800295107168
],
[
-0.862783227201005,
14.445821777669892,
5.90603523011295
],
[
-0.862783227201005,
7.585309867330109,
3.2721957148870495
],
[
0.862783227201005,
5.433721232330108,
0.20877463988704958
],
[
0.862783227201005,
12.294233142669892,
2.8426141551129502
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.3595745,
0,
0
],
[
0,
0.33031016,
0.50239376
],
[
0,
0.50239375,
-1.24165671
]
] | -146.976622 | -158.496622 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.02540336,
-0.05584717,
0.02564048
],
[
0.02540336,
0.05584717,
-0.02564048
],
[
-0.02540336,
0.05584717,
-0.02564048
],
[
-0.02540336,
-0.05584717,
0.02564048
],
[
-0.0043625,
-0.01827419,
0.03565684
],
[
-0.0043625,
0.01827419,
-0.03565684
],
[
0.0043625,
0.01827419,
-0.03565684
],
[
0.0043625,
-0.01827419,
0.03565684
],
[
-0.01461327,
0.01464822,
-0.01374894
],
[
-0.01461327,
-0.01464822,
0.01374894
],
[
0.01461327,
-0.01464822,
0.01374894
],
[
0.01461327,
0.01464822,
-0.01374894
],
[
-0.01943407,
0.01666816,
-0.02082594
],
[
-0.01943407,
-0.01666816,
0.02082594
],
[
0.01943407,
-0.01666816,
0.02082594
],
[
0.01943407,
0.01666816,
-0.02082594
],
[
-0.00912588,
0.02196531,
0.00936488
],
[
-0.00912588,
-0.02196531,
-0.00936488
],
[
0.00912588,
-0.02196531,
-0.00936488
],
[
0.00912588,
0.02196531,
0.00936488
]
] |
pbe
| true | 15 |
agm005266151-pbe-394
| 394 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.31139574,
7.79267679,
-0.00475497
],
[
-3.31139574,
7.79267679,
-0.00475497
],
[
0,
4.30665339,
6.12809625
]
] |
agm005266151
|
[
[
1.65569787,
3.896338395,
-0.002377485
],
[
-1.65569787,
6.0496650899999995,
3.06167064
],
[
0.8008164883323396,
4.067171455119784,
2.727577476653622
],
[
0.8008164883323396,
13.671508819880215,
0.32696070834637764
],
[
-0.8008164883323396,
15.824835514880215,
3.3910088333463775
],
[
-0.8008164883323396,
6.220498150119784,
5.791625601653622
],
[
-2.4981587029562813,
11.27089684058122,
4.036465865840968
],
[
-2.4981587029562813,
10.77443682441878,
5.146168569159031
],
[
2.4981587029562813,
8.62111012941878,
2.0821204441590324
],
[
2.4981587029562813,
9.11757014558122,
0.9724177408409675
],
[
-1.8556559057086668,
11.179288057813405,
1.8431897401764301
],
[
-1.8556559057086668,
6.559392217186595,
1.2113484448235696
],
[
1.8556559057086668,
8.712718912186595,
4.275396569823569
],
[
1.8556559057086668,
13.332614752813406,
4.9072378651764295
],
[
0.2028493808990478,
5.155828182346579,
2.514209009980137
],
[
0.20284938089904792,
12.582852092653422,
0.5403291750198627
],
[
-0.20284938089904792,
14.736178787653422,
3.6043773000198627
],
[
-0.2028493808990478,
7.309154877346579,
5.578257134980137
],
[
-0.8606214543852486,
14.456377004234895,
5.910026999657333
],
[
-0.8606214543852486,
7.588956660765103,
3.272607435342666
],
[
0.8606214543852486,
5.435629965765103,
0.2085593103426666
],
[
0.8606214543852486,
12.303050309234896,
2.8459788746573333
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.53653609,
0,
0
],
[
0,
-0.5644303,
0.54387944
],
[
0,
0.54387941,
-0.34743209
]
] | -146.976899 | -158.496899 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00829858,
-0.00646162,
0.03392077
],
[
-0.00829858,
0.00646162,
-0.03392077
],
[
0.00829858,
0.00646162,
-0.03392077
],
[
0.00829858,
-0.00646162,
0.03392077
],
[
-0.00462537,
0.02729021,
-0.06071128
],
[
-0.00462537,
-0.02729021,
0.06071128
],
[
0.00462537,
-0.02729021,
0.06071128
],
[
0.00462537,
0.02729021,
-0.06071128
],
[
-0.00855509,
0.00659155,
-0.01913361
],
[
-0.00855509,
-0.00659155,
0.01913361
],
[
0.00855509,
-0.00659155,
0.01913361
],
[
0.00855509,
0.00659155,
-0.01913361
],
[
0.00893171,
-0.03121077,
-0.01060961
],
[
0.00893171,
0.03121077,
0.01060961
],
[
-0.00893171,
0.03121077,
0.01060961
],
[
-0.00893171,
-0.03121077,
-0.01060961
],
[
-0.00898519,
0.0228345,
0.00830026
],
[
-0.00898519,
-0.0228345,
-0.00830026
],
[
0.00898519,
-0.0228345,
-0.00830026
],
[
0.00898519,
0.0228345,
0.00830026
]
] |
pbe
| true | 15 |
agm005266151-pbe-395
| 395 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.31127938,
7.79289338,
-0.00469418
],
[
-3.31127938,
7.79289338,
-0.00469418
],
[
0,
4.30682093,
6.12815669
]
] |
agm005266151
|
[
[
1.65563969,
3.89644669,
-0.00234709
],
[
-1.65563969,
6.049857155,
3.0617312549999998
],
[
0.8007802355980642,
4.0672696225057985,
2.7276197086379126
],
[
0.8007802355980642,
13.6719276024942,
0.32707027636208746
],
[
-0.8007802355980642,
15.8253380674942,
3.3911486213620874
],
[
-0.8007802355980642,
6.220680087505798,
5.791698053637912
],
[
-2.498111019098274,
11.271218585898673,
4.036588918666338
],
[
-2.498111019098274,
10.774799569101328,
5.146257756333662
],
[
2.498111019098274,
8.621389104101327,
2.082179411333662
],
[
2.498111019098274,
9.117808120898673,
0.9725105736663383
],
[
-1.8556096729618592,
11.179622934963863,
1.8432969984596528
],
[
-1.8556096729618594,
6.559574290036136,
1.2113929865403472
],
[
1.8556096729618594,
8.712984755036135,
4.275471331540348
],
[
1.8556096729618592,
13.333033399963861,
4.907375343459653
],
[
0.20281874283806067,
5.155991931159,
2.514248971650015
],
[
0.20281874283806056,
12.583205293840997,
0.540441013349985
],
[
-0.20281874283806056,
14.736615758840998,
3.604519358349985
],
[
-0.20281874283806067,
7.309402396158999,
5.5783273166500145
],
[
-0.860517238801779,
14.456885631595174,
5.910219357901511
],
[
-0.8605172388017791,
7.589132523404825,
3.27262731709849
],
[
0.8605172388017791,
5.435722058404824,
0.2085489720984901
],
[
0.860517238801779,
12.303475166595174,
2.84614101290151
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.54990111,
0,
0
],
[
0,
-0.6254442,
0.54391719
],
[
0,
0.54391707,
-0.32448575
]
] | -146.9769 | -158.4969 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00985474,
-0.00433085,
0.03443872
],
[
-0.00985474,
0.00433085,
-0.03443872
],
[
0.00985474,
0.00433085,
-0.03443872
],
[
0.00985474,
-0.00433085,
0.03443872
],
[
-0.00481435,
0.02927366,
-0.06508604
],
[
-0.00481435,
-0.02927366,
0.06508604
],
[
0.00481435,
-0.02927366,
0.06508604
],
[
0.00481435,
0.02927366,
-0.06508604
],
[
-0.00835889,
0.00621942,
-0.01916343
],
[
-0.00835889,
-0.00621942,
0.01916343
],
[
0.00835889,
-0.00621942,
0.01916343
],
[
0.00835889,
0.00621942,
-0.01916343
],
[
0.01018905,
-0.03350761,
-0.01013638
],
[
0.01018905,
0.03350761,
0.01013638
],
[
-0.01018905,
0.03350761,
0.01013638
],
[
-0.01018905,
-0.03350761,
-0.01013638
],
[
-0.00879869,
0.02315131,
0.00851412
],
[
-0.00879869,
-0.02315131,
-0.00851412
],
[
0.00879869,
-0.02315131,
-0.00851412
],
[
0.00879869,
0.02315131,
0.00851412
]
] |
pbe
| true | 15 |
agm005266151-pbe-396
| 396 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.30914073,
7.79617274,
-0.0032942
],
[
-3.30914073,
7.79617274,
-0.0032942
],
[
0,
4.30973486,
6.12921841
]
] |
agm005266151
|
[
[
1.654570365,
3.89808637,
-0.0016471
],
[
-1.654570365,
6.0529538,
3.062962105
],
[
0.8000302390711301,
4.068813404523173,
2.728782464291547
],
[
0.8000302390711305,
13.678399505476827,
0.3292383407084534
],
[
-0.8000302390711305,
15.833266935476827,
3.3938475457084536
],
[
-0.8000302390711301,
6.223680834523172,
5.793391669291546
],
[
-2.497226704739294,
11.27657318772156,
4.038481583871309
],
[
-2.497226704739294,
10.780374582278439,
5.148757631128691
],
[
2.497226704739294,
8.62550715227844,
2.084148426128692
],
[
2.497226704739294,
9.12170575772156,
0.973872378871308
],
[
-1.8548139823217573,
11.184885760216208,
1.845414529915072
],
[
-1.8548139823217573,
6.562327149783792,
1.2126062750849278
],
[
1.8548139823217573,
8.717194579783794,
4.277215480084928
],
[
1.8548139823217573,
13.339753190216209,
4.910023734915072
],
[
0.20238443282562324,
5.158307877400542,
2.5150050369834784
],
[
0.20238443282562368,
12.588905032599458,
0.5430157680165211
],
[
-0.20238443282562368,
14.743772462599457,
3.607624973016521
],
[
-0.20238443282562324,
7.313175307400542,
5.579614241983479
],
[
-0.8587848931088702,
14.465289835380625,
5.914091864312031
],
[
-0.8587848931088699,
7.5916579346193735,
3.27314735068797
],
[
0.8587848931088699,
5.436790504619374,
0.20853814568797002
],
[
0.8587848931088702,
12.310422405380626,
2.84948265931203
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.47245493,
0,
0
],
[
0,
-0.75532728,
0.68006237
],
[
0,
0.68006239,
-0.12359833
]
] | -146.977155 | -158.497155 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.02570142,
0.03172953,
0.00663145
],
[
-0.02570142,
-0.03172953,
-0.00663145
],
[
0.02570142,
-0.03172953,
-0.00663145
],
[
0.02570142,
0.03172953,
0.00663145
],
[
-0.00367257,
0.00312623,
-0.00516392
],
[
-0.00367257,
-0.00312623,
0.00516392
],
[
0.00367257,
-0.00312623,
0.00516392
],
[
0.00367257,
0.00312623,
-0.00516392
],
[
-0.00373916,
-0.00289319,
-0.01647971
],
[
-0.00373916,
0.00289319,
0.01647971
],
[
0.00373916,
0.00289319,
0.01647971
],
[
0.00373916,
-0.00289319,
-0.01647971
],
[
0.02164995,
-0.0528786,
-0.00249308
],
[
0.02164995,
0.0528786,
0.00249308
],
[
-0.02164995,
0.0528786,
0.00249308
],
[
-0.02164995,
-0.0528786,
-0.00249308
],
[
-0.00588465,
0.01771374,
0.00727474
],
[
-0.00588465,
-0.01771374,
-0.00727474
],
[
0.00588465,
-0.01771374,
-0.00727474
],
[
0.00588465,
0.01771374,
0.00727474
]
] |
pbe
| true | 15 |
agm005266151-pbe-397
| 397 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.30778362,
7.7982537,
-0.00240581
],
[
-3.30778362,
7.7982537,
-0.00240581
],
[
0,
4.31158394,
6.12989213
]
] |
agm005266151
|
[
[
1.65389181,
3.89912685,
-0.001202905
],
[
-1.65389181,
6.05491882,
3.06374316
],
[
0.7995543803876334,
4.069792863082744,
2.729520276874683
],
[
0.7995543803876335,
13.682506506917257,
0.3306141681253172
],
[
-0.7995543803876335,
15.838298476917258,
3.395560233125317
],
[
-0.7995543803876334,
6.225584833082744,
5.794466341874683
],
[
-2.4966653603881914,
11.279971021137367,
4.039682549521333
],
[
-2.4966653603881914,
10.783912288862634,
5.150344025478667
],
[
2.4966653603881914,
8.628120318862635,
2.085397960478667
],
[
2.4966653603881914,
9.124179051137366,
0.9747364845213332
],
[
-1.8543090302666794,
11.18822539041053,
1.8467581746409862
],
[
-1.8543090302666794,
6.5640739795894705,
1.2133762703590139
],
[
1.8543090302666794,
8.71986594958947,
4.278322335359013
],
[
1.8543090302666794,
13.344017360410529,
4.9117042396409865
],
[
0.20210892004345626,
5.15977731464627,
2.5154847330620527
],
[
0.20210892004345604,
12.592522055353731,
0.5446497119379473
],
[
-0.20210892004345604,
14.74831402535373,
3.609595776937948
],
[
-0.20210892004345626,
7.315569284646269,
5.580430798062053
],
[
-0.8576858658930566,
14.470623068592612,
5.916549292300915
],
[
-0.8576858658930564,
7.593260241407389,
3.2734772826990852
],
[
0.8576858658930564,
5.437468271407388,
0.20853121769908503
],
[
0.8576858658930566,
12.314831098592613,
2.851603227300915
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.42997225,
0,
0
],
[
0,
-0.86754017,
0.75806524
],
[
0,
0.75806525,
-0.02154541
]
] | -146.977203 | -158.497203 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.03564322,
0.0542466,
-0.01101665
],
[
-0.03564322,
-0.0542466,
0.01101665
],
[
0.03564322,
-0.0542466,
0.01101665
],
[
0.03564322,
0.0542466,
-0.01101665
],
[
-0.00325093,
-0.01350567,
0.03275839
],
[
-0.00325093,
0.01350567,
-0.03275839
],
[
0.00325093,
0.01350567,
-0.03275839
],
[
0.00325093,
-0.01350567,
0.03275839
],
[
-0.0011029,
-0.00862689,
-0.01436822
],
[
-0.0011029,
0.00862689,
0.01436822
],
[
0.0011029,
0.00862689,
0.01436822
],
[
0.0011029,
-0.00862689,
-0.01436822
],
[
0.02904865,
-0.06531626,
0.00206813
],
[
0.02904865,
0.06531626,
-0.00206813
],
[
-0.02904865,
0.06531626,
-0.00206813
],
[
-0.02904865,
-0.06531626,
0.00206813
],
[
-0.00373315,
0.01439727,
0.0066098
],
[
-0.00373315,
-0.01439727,
-0.0066098
],
[
0.00373315,
-0.01439727,
-0.0066098
],
[
0.00373315,
0.01439727,
0.0066098
]
] |
pbe
| true | 15 |
agm005266151-pbe-398
| 398 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.30579828,
7.80072332,
-0.00078104
],
[
-3.30579828,
7.80072332,
-0.00078104
],
[
0,
4.31422688,
6.13103711
]
] |
agm005266151
|
[
[
1.65289914,
3.90036166,
-0.00039052
],
[
-1.65289914,
6.0574751,
3.0651280350000003
],
[
0.7986108806984125,
4.071459369166549,
2.7306678062741074
],
[
0.7986108806984125,
13.687100710833453,
0.33328866872589274
],
[
-0.7986108806984125,
15.844214150833453,
3.398807223725893
],
[
-0.7986108806984125,
6.228572809166549,
5.796186361274108
],
[
-2.4958364780954483,
11.284186253088155,
4.042146545819507
],
[
-2.4958364780954483,
10.788600706911845,
5.152847039180494
],
[
2.4958364780954483,
8.631487266911845,
2.087328484180494
],
[
2.4958364780954483,
9.127072813088155,
0.9766279908195061
],
[
-1.8535610294800344,
11.192291787831833,
1.8490795433982472
],
[
-1.8535610294800342,
6.566268292168168,
1.214876931601753
],
[
1.8535610294800342,
8.723381732168168,
4.280395486601753
],
[
1.8535610294800344,
13.349405227831832,
4.9145980983982485
],
[
0.20192853914899922,
5.161192613901536,
2.5164202676240297
],
[
0.20192853914899933,
12.597367466098465,
0.5475362073759702
],
[
-0.20192853914899933,
14.754480906098465,
3.613054762375971
],
[
-0.20192853914899922,
7.318306053901535,
5.58193882262403
],
[
-0.8561553741701318,
14.477657364574782,
5.920734011185268
],
[
-0.8561553741701315,
7.595129595425215,
3.2742595738147315
],
[
0.8561553741701315,
5.438016155425215,
0.2087410188147315
],
[
0.8561553741701318,
12.320543924574782,
2.855215456185269
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.01281483,
0,
0
],
[
0,
0.20678178,
0.46789486
],
[
0,
0.46789474,
0.32480475
]
] | -146.977493 | -158.497493 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.02011311,
0.03482469,
-0.02443089
],
[
-0.02011311,
-0.03482469,
0.02443089
],
[
0.02011311,
-0.03482469,
0.02443089
],
[
0.02011311,
0.03482469,
-0.02443089
],
[
-0.00131008,
-0.01283365,
0.02879383
],
[
-0.00131008,
0.01283365,
-0.02879383
],
[
0.00131008,
0.01283365,
-0.02879383
],
[
0.00131008,
-0.01283365,
0.02879383
],
[
-0.00091694,
-0.01285129,
-0.00713407
],
[
-0.00091694,
0.01285129,
0.00713407
],
[
0.00091694,
0.01285129,
0.00713407
],
[
0.00091694,
-0.01285129,
-0.00713407
],
[
0.01448499,
-0.03789982,
-0.00049601
],
[
0.01448499,
0.03789982,
0.00049601
],
[
-0.01448499,
0.03789982,
0.00049601
],
[
-0.01448499,
-0.03789982,
-0.00049601
],
[
0.00070557,
0.00688129,
0.00620533
],
[
0.00070557,
-0.00688129,
-0.00620533
],
[
-0.00070557,
-0.00688129,
-0.00620533
],
[
-0.00070557,
0.00688129,
0.00620533
]
] |
pbe
| true | 15 |
agm005266151-pbe-399
| 399 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.57377268,
6.83881681,
0.03208205
],
[
-3.57377268,
6.83881681,
0.03208205
],
[
0,
3.81645147,
6.22002452
]
] |
agm005266151
|
[
[
1.78688634,
3.419408405,
0.016041025
],
[
-1.78688634,
5.32763414,
3.126053285
],
[
0.7785458780098248,
3.625492261778967,
2.7591951751745327
],
[
0.7785458780098247,
11.960367093221032,
0.4149811848254672
],
[
-0.7785458780098247,
13.868592828221033,
3.524993444825467
],
[
-0.7785458780098248,
5.533717996778967,
5.869207435174532
],
[
-2.735727418018123,
9.9492083646069,
4.140391076306203
],
[
-2.735727418018123,
9.453102460393099,
5.2538098036937955
],
[
2.735727418018123,
7.544876725393099,
2.1437975436937964
],
[
2.735727418018123,
8.0409826296069,
1.030378816306204
],
[
-2.0334321971878606,
9.849106283353352,
1.9647310668559324
],
[
-2.0334321971878606,
5.736753071646648,
1.209445293144068
],
[
2.0334321971878606,
7.644978806646648,
4.319457553144068
],
[
2.0334321971878606,
11.757332018353353,
5.074743326855932
],
[
0.02458165931347811,
4.599404877598392,
2.45855257136061
],
[
0.024581659313478,
10.986454477401606,
0.7156237886393899
],
[
-0.024581659313478,
12.894680212401607,
3.8256360486393897
],
[
-0.02458165931347811,
6.507630612598392,
5.568564831360611
],
[
-1.0857287224892354,
12.458352765261086,
6.160702687940579
],
[
-1.0857287224892351,
6.943958059738915,
3.233498192059421
],
[
1.0857287224892351,
5.035732324738915,
0.1234859320594208
],
[
1.0857287224892354,
10.550127030261086,
3.0506904279405793
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
1.13518866,
0,
0
],
[
0,
-9.97311172,
6.23315195
],
[
0,
6.23315192,
-19.81804817
]
] | -146.652638 | -158.172638 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.13271387,
0.08027177,
0.08120056
],
[
-0.13271387,
-0.08027177,
-0.08120056
],
[
0.13271387,
-0.08027177,
-0.08120056
],
[
0.13271387,
0.08027177,
0.08120056
],
[
-0.02240805,
-0.09053902,
-0.00644048
],
[
-0.02240805,
0.09053902,
0.00644048
],
[
0.02240805,
0.09053902,
0.00644048
],
[
0.02240805,
-0.09053902,
-0.00644048
],
[
0.00941881,
-0.06204963,
-0.1196209
],
[
0.00941881,
0.06204963,
0.1196209
],
[
-0.00941881,
0.06204963,
0.1196209
],
[
-0.00941881,
-0.06204963,
-0.1196209
],
[
0.25250683,
-0.18807839,
0.17669748
],
[
0.25250683,
0.18807839,
-0.17669748
],
[
-0.25250683,
0.18807839,
-0.17669748
],
[
-0.25250683,
-0.18807839,
0.17669748
],
[
-0.17025482,
0.44890102,
-0.08252954
],
[
-0.17025482,
-0.44890102,
0.08252954
],
[
0.17025482,
-0.44890102,
0.08252954
],
[
0.17025482,
0.44890102,
-0.08252954
]
] |
pbe
| true | 15 |
agm005266151-pbe-4
| 4 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.53638328,
7.159072,
-0.02579723
],
[
-3.53638328,
7.159072,
-0.02579723
],
[
0,
3.94566968,
6.09537665
]
] |
agm005266151
|
[
[
1.76819164,
3.579536,
-0.012898615
],
[
-1.76819164,
5.55237084,
3.03478971
],
[
0.7896181225660153,
3.748647543338537,
2.6830288476429067
],
[
0.789618122566015,
12.542331296661464,
0.31306501735709347
],
[
-0.789618122566015,
14.515166136661463,
3.3607533423570937
],
[
-0.7896181225660153,
5.721482383338537,
5.730717172642907
],
[
-2.718429851039152,
10.354216861474267,
3.9860053638380473
],
[
-2.718429851039152,
9.882431658525734,
5.105465151161954
],
[
2.718429851039152,
7.909596818525734,
2.0577768261619536
],
[
2.718429851039152,
8.381382021474266,
0.9383170388380467
],
[
-2.0210609739832295,
10.253003820706502,
1.815489556456014
],
[
-2.0210609739832295,
6.0379750192935,
1.1806043085439863
],
[
2.0210609739832295,
8.0108098592935,
4.228292633543986
],
[
2.0210609739832295,
12.225838660706502,
4.863177881456014
],
[
0.11599284112650798,
4.779948613866045,
2.4169382223772997
],
[
0.11599284112650832,
11.511030226133956,
0.5791556426227007
],
[
-0.11599284112650832,
13.483865066133955,
3.6268439676227007
],
[
-0.11599284112650798,
6.752783453866045,
5.4646265473773
],
[
-1.0815917219445008,
13.093061948073338,
5.85250314658467
],
[
-1.0815917219445008,
7.1435865719266625,
3.23896736841533
],
[
1.0815917219445008,
5.1707517319266625,
0.19127904341533022
],
[
1.0815917219445008,
11.120227108073339,
2.80481482158467
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
-0.53603479,
0,
0
],
[
0,
-2.08703718,
0.61154032
],
[
0,
0.6115403,
-0.80917138
]
] | -146.824196 | -158.344196 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.05433832,
-0.01623592,
0.03088322
],
[
0.05433832,
0.01623592,
-0.03088322
],
[
-0.05433832,
0.01623592,
-0.03088322
],
[
-0.05433832,
-0.01623592,
0.03088322
],
[
-0.01676368,
0.07902749,
-0.14295667
],
[
-0.01676368,
-0.07902749,
0.14295667
],
[
0.01676368,
-0.07902749,
0.14295667
],
[
0.01676368,
0.07902749,
-0.14295667
],
[
0.01892306,
0.01099169,
-0.04200088
],
[
0.01892306,
-0.01099169,
0.04200088
],
[
-0.01892306,
-0.01099169,
0.04200088
],
[
-0.01892306,
0.01099169,
-0.04200088
],
[
0.01611146,
-0.01517589,
0.07712301
],
[
0.01611146,
0.01517589,
-0.07712301
],
[
-0.01611146,
0.01517589,
-0.07712301
],
[
-0.01611146,
-0.01517589,
0.07712301
],
[
0.02869216,
0.04857384,
0.00205103
],
[
0.02869216,
-0.04857384,
-0.00205103
],
[
-0.02869216,
-0.04857384,
-0.00205103
],
[
-0.02869216,
0.04857384,
0.00205103
]
] |
pbe
| true | 15 |
agm005266151-pbe-40
| 40 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.30307484,
7.80411108,
0.00144779
],
[
-3.30307484,
7.80411108,
0.00144779
],
[
0,
4.31785242,
6.13260777
]
] |
agm005266151
|
[
[
1.65153742,
3.90205554,
0.000723895
],
[
-1.65153742,
6.06098175,
3.06702778
],
[
0.7973171463736857,
4.073745296318355,
2.7322418421921144
],
[
0.7973171463736857,
13.693403073681646,
0.33695762280788527
],
[
-0.7973171463736857,
15.852329283681645,
3.403261507807885
],
[
-0.7973171463736857,
6.232671506318356,
5.798545727192114
],
[
-2.494698635723762,
11.289968484041811,
4.045526548195694
],
[
-2.4946986357237617,
10.795032305958191,
5.1562806868043065
],
[
2.4946986357237617,
8.63610609595819,
2.0899768018043066
],
[
2.494698635723762,
9.13104227404181,
0.9792226631956937
],
[
-1.8525345116570084,
11.197870067550504,
1.8522639802841567
],
[
-1.8525345116570087,
6.569278302449498,
1.2169354847158436
],
[
1.8525345116570087,
8.728204512449498,
4.283239369715844
],
[
1.8525345116570084,
13.356796277550503,
4.918567865284157
],
[
0.20168115845637247,
5.1631334530153215,
2.517703225390128
],
[
0.2016811584563727,
12.604014916984678,
0.551496239609872
],
[
-0.2016811584563727,
14.762941126984678,
3.617800124609872
],
[
-0.20168115845637247,
7.322059663015322,
5.584007110390128
],
[
-0.8540569365754762,
14.487307874532748,
5.926475033860927
],
[
-0.8540569365754763,
7.597692915467253,
3.2753322011390718
],
[
0.8540569365754763,
5.438766705467252,
0.2090283161390721
],
[
0.8540569365754762,
12.328381664532747,
2.860171148860928
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.52029569,
0,
0
],
[
0,
1.61143773,
0.06076452
],
[
0,
0.06076455,
0.75458999
]
] | -146.977675 | -158.497675 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00078376,
0.00843129,
-0.04286713
],
[
0.00078376,
-0.00843129,
0.04286713
],
[
-0.00078376,
-0.00843129,
0.04286713
],
[
-0.00078376,
0.00843129,
-0.04286713
],
[
0.00091381,
-0.01186118,
0.02307696
],
[
0.00091381,
0.01186118,
-0.02307696
],
[
-0.00091381,
0.01186118,
-0.02307696
],
[
-0.00091381,
-0.01186118,
0.02307696
],
[
-0.00115855,
-0.01856196,
0.00331984
],
[
-0.00115855,
0.01856196,
-0.00331984
],
[
0.00115855,
0.01856196,
-0.00331984
],
[
0.00115855,
-0.01856196,
0.00331984
],
[
-0.00501139,
-0.00082631,
-0.0042985
],
[
-0.00501139,
0.00082631,
0.0042985
],
[
0.00501139,
0.00082631,
0.0042985
],
[
0.00501139,
-0.00082631,
-0.0042985
],
[
0.0072551,
-0.00399541,
0.00518245
],
[
0.0072551,
0.00399541,
-0.00518245
],
[
-0.0072551,
0.00399541,
-0.00518245
],
[
-0.0072551,
-0.00399541,
0.00518245
]
] |
pbe
| true | 15 |
agm005266151-pbe-400
| 400 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.30248194,
7.8048486,
0.00193301
],
[
-3.30248194,
7.8048486,
0.00193301
],
[
0,
4.31864171,
6.13294971
]
] |
agm005266151
|
[
[
1.65124097,
3.9024243,
0.000966505
],
[
-1.65124097,
6.061745155,
3.06744136
],
[
0.7970354892953166,
4.074243040747149,
2.732584564332372
],
[
0.7970354892953164,
13.694775014252851,
0.33775631066762796
],
[
-0.7970354892953164,
15.854095869252852,
3.404231165667628
],
[
-0.7970354892953166,
6.2335638957471495,
5.799059419332372
],
[
-2.4944509031350925,
11.291227220707695,
4.046262345196267
],
[
-2.494450903135092,
10.796432544292307,
5.157028239803734
],
[
2.494450903135092,
8.637111689292306,
2.090553384803734
],
[
2.4944509031350925,
9.131906365707694,
0.9797874901962662
],
[
-1.8523110307503878,
11.199084442879988,
1.8529571860501077
],
[
-1.852311030750388,
6.56993361212001,
1.2173836889498926
],
[
1.852311030750388,
8.72925446712001,
4.283858543949892
],
[
1.8523110307503878,
13.358405297879987,
4.919432041050108
],
[
0.20162732155294372,
5.163555898916108,
2.517982541854123
],
[
0.20162732155294405,
12.605462156083892,
0.5523583331458772
],
[
-0.20162732155294405,
14.76478301108389,
3.618833188145877
],
[
-0.20162732155294372,
7.322876753916108,
5.5844573968541225
],
[
-0.8536002018147204,
14.489408897306735,
5.927724875753196
],
[
-0.8536002018147201,
7.598250867693264,
3.2755657092468047
],
[
0.8536002018147201,
5.438930012693264,
0.2090908542468047
],
[
0.8536002018147204,
12.330088042306734,
2.8612500207531952
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.66926304,
0,
0
],
[
0,
1.93380456,
-0.03301305
],
[
0,
-0.03301302,
0.86321238
]
] | -146.977682 | -158.497682 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00539951,
0.00230959,
-0.0467971
],
[
0.00539951,
-0.00230959,
0.0467971
],
[
-0.00539951,
-0.00230959,
0.0467971
],
[
-0.00539951,
0.00230959,
-0.0467971
],
[
0.0012522,
-0.01178702,
0.02182337
],
[
0.0012522,
0.01178702,
-0.02182337
],
[
-0.0012522,
0.01178702,
-0.02182337
],
[
-0.0012522,
-0.01178702,
0.02182337
],
[
-0.0012843,
-0.01974486,
0.00545443
],
[
-0.0012843,
0.01974486,
-0.00545443
],
[
0.0012843,
0.01974486,
-0.00545443
],
[
0.0012843,
-0.01974486,
0.00545443
],
[
-0.0093728,
0.00720886,
-0.00507057
],
[
-0.0093728,
-0.00720886,
0.00507057
],
[
0.0093728,
-0.00720886,
0.00507057
],
[
0.0093728,
0.00720886,
-0.00507057
],
[
0.00813409,
-0.00597196,
0.00500991
],
[
0.00813409,
0.00597196,
-0.00500991
],
[
-0.00813409,
0.00597196,
-0.00500991
],
[
-0.00813409,
-0.00597196,
0.00500991
]
] |
pbe
| true | 15 |
agm005266151-pbe-401
| 401 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.30135731,
7.8077943,
0.00299036
],
[
-3.30135731,
7.8077943,
0.00299036
],
[
0,
4.32110221,
6.134156
]
] |
agm005266151
|
[
[
1.650678655,
3.90389715,
0.00149518
],
[
-1.650678655,
6.064448255,
3.06857318
],
[
0.7965083100031853,
4.076045890005004,
2.7330881315730555
],
[
0.7965083100031851,
13.700093814994997,
0.339970588426944
],
[
-0.7965083100031851,
15.860644919994998,
3.407048588426944
],
[
-0.7965083100031853,
6.236596995005003,
5.8001661315730555
],
[
-2.4940339515306933,
11.29579045827166,
4.048379588011046
],
[
-2.4940339515306937,
10.80145145672834,
5.158835131988954
],
[
2.4940339515306937,
8.640900351728341,
2.091757131988954
],
[
2.4940339515306933,
9.135239353271661,
0.9813015880110456
],
[
-1.8519348768707349,
11.20346292705169,
1.8546585213463747
],
[
-1.8519348768707349,
6.572676777948312,
1.2184001986536255
],
[
1.8519348768707349,
8.733227882948313,
4.2854781986536254
],
[
1.8519348768707349,
13.36401403205169,
4.921736521346374
],
[
0.20142914696663228,
5.16542175115319,
2.5187283698227145
],
[
0.20142914696663228,
12.610717953846812,
0.5543303501772856
],
[
-0.20142914696663228,
14.771269058846812,
3.6214083501772856
],
[
-0.20142914696663228,
7.32597285615319,
5.5858063698227145
],
[
-0.8525567735979791,
14.49643070423376,
5.930954571980069
],
[
-0.8525567735979792,
7.6008112107662384,
3.2762601480199303
],
[
0.8525567735979792,
5.440260105766239,
0.20918214801993038
],
[
0.8525567735979791,
12.33587959923376,
2.86387657198007
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.69133057,
0,
0
],
[
0,
1.9207665,
-0.09453809
],
[
0,
-0.09453821,
0.83376648
]
] | -146.977859 | -158.497859 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00747138,
-0.01010371,
-0.02880117
],
[
0.00747138,
0.01010371,
0.02880117
],
[
-0.00747138,
0.01010371,
0.02880117
],
[
-0.00747138,
-0.01010371,
-0.02880117
],
[
0.00190744,
0.01275518,
-0.03334803
],
[
0.00190744,
-0.01275518,
0.03334803
],
[
-0.00190744,
-0.01275518,
0.03334803
],
[
-0.00190744,
0.01275518,
-0.03334803
],
[
-0.00253975,
-0.0171255,
0.00493343
],
[
-0.00253975,
0.0171255,
-0.00493343
],
[
0.00253975,
0.0171255,
-0.00493343
],
[
0.00253975,
-0.0171255,
0.00493343
],
[
-0.00998372,
0.01170374,
-0.00816403
],
[
-0.00998372,
-0.01170374,
0.00816403
],
[
0.00998372,
-0.01170374,
0.00816403
],
[
0.00998372,
0.01170374,
-0.00816403
],
[
0.00847105,
-0.00482762,
0.00443786
],
[
0.00847105,
0.00482762,
-0.00443786
],
[
-0.00847105,
0.00482762,
-0.00443786
],
[
-0.00847105,
-0.00482762,
0.00443786
]
] |
pbe
| true | 15 |
agm005266151-pbe-402
| 402 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.30030063,
7.81056199,
0.00398382
],
[
-3.30030063,
7.81056199,
0.00398382
],
[
0,
4.32341401,
6.13528939
]
] |
agm005266151
|
[
[
1.650150315,
3.905280995,
0.00199191
],
[
-1.650150315,
6.066988,
3.069636605
],
[
0.7960130071792767,
4.077739674903587,
2.7335612227287918
],
[
0.796013007179277,
13.705091310096414,
0.34205111227120805
],
[
-0.796013007179277,
15.866798315096414,
3.4096958072712082
],
[
-0.7960130071792767,
6.239446679903587,
5.801205917728791
],
[
-2.4936420740995766,
11.300077899967736,
4.050368826537018
],
[
-2.4936420740995766,
10.806167095032265,
5.16053289846298
],
[
2.4936420740995766,
8.644460090032265,
2.092888203462981
],
[
2.4936420740995766,
9.138370894967736,
0.9827241315370187
],
[
-1.851581424702527,
11.207576634587994,
1.856256952127212
],
[
-1.851581424702527,
6.575254350412006,
1.2193553828727879
],
[
1.851581424702527,
8.736961355412006,
4.287000077872787
],
[
1.851581424702527,
13.369283639587994,
4.923901647127212
],
[
0.20124295956361082,
5.167174732188411,
2.519429018292964
],
[
0.20124295956361093,
12.615656252811588,
0.5561833167070355
],
[
-0.20124295956361093,
14.777363257811587,
3.6238280117070354
],
[
-0.20124295956361082,
7.328881737188411,
5.5870737132929635
],
[
-0.8515766375649125,
14.503028490159707,
5.933989260554737
],
[
-0.8515766375649128,
7.603216504840292,
3.2769124644452625
],
[
0.8515766375649128,
5.441509499840293,
0.20926776944526249
],
[
0.8515766375649125,
12.341321485159707,
2.866344565554737
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.7337439,
0,
0
],
[
0,
1.92288634,
-0.15732383
],
[
0,
-0.15732383,
0.82128907
]
] | -146.97794 | -158.49794 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00949981,
-0.0220969,
-0.01175708
],
[
0.00949981,
0.0220969,
0.01175708
],
[
-0.00949981,
0.0220969,
0.01175708
],
[
-0.00949981,
-0.0220969,
-0.01175708
],
[
0.00243911,
0.03576092,
-0.08530685
],
[
0.00243911,
-0.03576092,
0.08530685
],
[
-0.00243911,
-0.03576092,
0.08530685
],
[
-0.00243911,
0.03576092,
-0.08530685
],
[
-0.00380434,
-0.0146561,
0.00438999
],
[
-0.00380434,
0.0146561,
-0.00438999
],
[
0.00380434,
0.0146561,
-0.00438999
],
[
0.00380434,
-0.0146561,
0.00438999
],
[
-0.01067081,
0.01588385,
-0.01107537
],
[
-0.01067081,
-0.01588385,
0.01107537
],
[
0.01067081,
-0.01588385,
0.01107537
],
[
0.01067081,
0.01588385,
-0.01107537
],
[
0.00867533,
-0.00349787,
0.00405874
],
[
0.00867533,
0.00349787,
-0.00405874
],
[
-0.00867533,
0.00349787,
-0.00405874
],
[
-0.00867533,
-0.00349787,
0.00405874
]
] |
pbe
| true | 15 |
agm005266151-pbe-403
| 403 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.29973648,
7.81256896,
0.00454108
],
[
-3.29973648,
7.81256896,
0.00454108
],
[
0,
4.32496227,
6.13606701
]
] |
agm005266151
|
[
[
1.64986824,
3.90628448,
0.00227054
],
[
-1.64986824,
6.068765615,
3.070304045
],
[
0.7957610507882257,
4.078863309634786,
2.7338482629142082
],
[
0.7957610507882253,
13.708755745365213,
0.3432674020857914
],
[
-0.7957610507882253,
15.871236880365213,
3.4113009070857916
],
[
-0.7957610507882257,
6.241344444634787,
5.8018817679142085
],
[
-2.49344923684321,
11.303231720363366,
4.051348692031112
],
[
-2.4934492368432095,
10.809349604636635,
5.161833982968887
],
[
2.4934492368432095,
8.646868469636635,
2.093800477968887
],
[
2.49344923684321,
9.140750585363365,
0.9833151870311128
],
[
-1.851416804145696,
11.21049328762408,
1.8572083871819989
],
[
-1.8514168041456962,
6.577125767375921,
1.2199072778180011
],
[
1.8514168041456962,
8.73960690237592,
4.2879407828180005
],
[
1.851416804145696,
13.37297442262408,
4.925241892181999
],
[
0.2011073233835904,
5.168490275422956,
2.5198439316955676
],
[
0.2011073233835905,
12.619128779577045,
0.5572717333044319
],
[
-0.2011073233835905,
14.781609914577045,
3.6253052383044317
],
[
-0.2011073233835904,
7.330971410422956,
5.587877436695568
],
[
-0.8509892682118225,
14.507584834789423,
5.935858499696388
],
[
-0.8509892682118224,
7.6049964902105796,
3.277324175303612
],
[
0.8509892682118224,
5.442515355210579,
0.2092906703036121
],
[
0.8509892682118225,
12.345103699789423,
2.8678249946963876
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.70034362,
0,
0
],
[
0,
1.61692194,
0.00387439
],
[
0,
0.00387435,
0.43949659
]
] | -146.978083 | -158.498083 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00656887,
-0.02023202,
-0.00708448
],
[
0.00656887,
0.02023202,
0.00708448
],
[
-0.00656887,
0.02023202,
0.00708448
],
[
-0.00656887,
-0.02023202,
-0.00708448
],
[
0.00257448,
0.02655272,
-0.06413544
],
[
0.00257448,
-0.02655272,
0.06413544
],
[
-0.00257448,
-0.02655272,
0.06413544
],
[
-0.00257448,
0.02655272,
-0.06413544
],
[
-0.00446666,
-0.01220036,
0.00239219
],
[
-0.00446666,
0.01220036,
-0.00239219
],
[
0.00446666,
0.01220036,
-0.00239219
],
[
0.00446666,
-0.01220036,
0.00239219
],
[
-0.00734145,
0.01164468,
-0.01195433
],
[
-0.00734145,
-0.01164468,
0.01195433
],
[
0.00734145,
-0.01164468,
0.01195433
],
[
0.00734145,
0.01164468,
-0.01195433
],
[
0.007605,
-0.0008338,
0.00354474
],
[
0.007605,
0.0008338,
-0.00354474
],
[
-0.007605,
0.0008338,
-0.00354474
],
[
-0.007605,
-0.0008338,
0.00354474
]
] |
pbe
| true | 15 |
agm005266151-pbe-404
| 404 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.29804404,
7.81858986,
0.00621286
],
[
-3.29804404,
7.81858986,
0.00621286
],
[
0,
4.32960706,
6.13839987
]
] |
agm005266151
|
[
[
1.64902202,
3.90929493,
0.00310643
],
[
-1.64902202,
6.07409846,
3.0723063649999998
],
[
0.7950053558201037,
4.08223384005248,
2.7347093319135376
],
[
0.7950053558201038,
13.719749409947521,
0.3469163230864625
],
[
-0.7950053558201038,
15.884552939947522,
3.4161162580864626
],
[
-0.7950053558201037,
6.24703737005248,
5.803909266913537
],
[
-2.492870352678411,
11.31269304809568,
4.05428794726022
],
[
-2.492870352678411,
10.818897261904322,
5.16573757773978
],
[
2.492870352678411,
8.654093731904322,
2.09653764273978
],
[
2.492870352678411,
9.14788951809568,
0.9850880122602201
],
[
-1.8509226034930515,
11.219242831065598,
1.8600625589089077
],
[
-1.8509226034930515,
6.582740418934404,
1.221563096091092
],
[
1.8509226034930515,
8.747543948934403,
4.2907630310910925
],
[
1.8509226034930515,
13.384046361065597,
4.929262493908908
],
[
0.2007005242082165,
5.172436666558328,
2.521088496781863
],
[
0.20070052420821627,
12.629546583441673,
0.5605371582181371
],
[
-0.20070052420821627,
14.794350113441673,
3.629737093218137
],
[
-0.2007005242082165,
7.337240196558327,
5.590288431781863
],
[
-0.8492279701946976,
14.52125492507273,
5.941466730703762
],
[
-0.8492279701946971,
7.610335384927271,
3.2785587942962384
],
[
0.8492279701946971,
5.44553185492727,
0.2093588592962384
],
[
0.8492279701946976,
12.35645139507273,
2.8722667957037613
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.50978166,
0,
0
],
[
0,
0.70959268,
0.51270952
],
[
0,
0.51270956,
-0.73721094
]
] | -146.978379 | -158.498379 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00225371,
-0.01500691,
0.00853485
],
[
-0.00225371,
0.01500691,
-0.00853485
],
[
0.00225371,
0.01500691,
-0.00853485
],
[
0.00225371,
-0.01500691,
0.00853485
],
[
0.00321661,
-0.00124809,
0.00042264
],
[
0.00321661,
0.00124809,
-0.00042264
],
[
-0.00321661,
0.00124809,
-0.00042264
],
[
-0.00321661,
-0.00124809,
0.00042264
],
[
-0.00634179,
-0.00606423,
-0.00305189
],
[
-0.00634179,
0.00606423,
0.00305189
],
[
0.00634179,
0.00606423,
0.00305189
],
[
0.00634179,
-0.00606423,
-0.00305189
],
[
0.00258411,
-0.00118803,
-0.01434725
],
[
0.00258411,
0.00118803,
0.01434725
],
[
-0.00258411,
0.00118803,
0.01434725
],
[
-0.00258411,
-0.00118803,
-0.01434725
],
[
0.00633256,
0.0068561,
0.00331269
],
[
0.00633256,
-0.0068561,
-0.00331269
],
[
-0.00633256,
-0.0068561,
-0.00331269
],
[
-0.00633256,
0.0068561,
0.00331269
]
] |
pbe
| true | 15 |
agm005266151-pbe-405
| 405 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.29465916,
7.83063166,
0.00955641
],
[
-3.29465916,
7.83063166,
0.00955641
],
[
0,
4.33889663,
6.14306558
]
] |
agm005266151
|
[
[
1.64732958,
3.91531583,
0.004778205
],
[
-1.64732958,
6.084764144999999,
3.076310995
],
[
0.7934946406207237,
4.088973115372636,
2.7364304340744745
],
[
0.793494640620724,
13.741738519627363,
0.3542151759255255
],
[
-0.793494640620724,
15.911186834627363,
3.425747965925525
],
[
-0.7934946406207237,
6.2584214303726355,
5.807963224074475
],
[
-2.4917111867980806,
11.331614983298786,
4.060166101074368
],
[
-2.49171118679808,
10.837993281701216,
5.173545088925632
],
[
2.49171118679808,
8.668544966701216,
2.102012298925632
],
[
2.4917111867980806,
9.162166668298786,
0.9886333110743678
],
[
-1.8499332942339444,
11.236741112247197,
1.8657706858053833
],
[
-1.8499332942339444,
6.593970522752803,
1.2248749241946166
],
[
1.8499332942339444,
8.763418837752804,
4.296407714194617
],
[
1.8499332942339444,
13.406189427247195,
4.9373034758053835
],
[
0.19988759722244054,
5.180327269166097,
2.523576646930562
],
[
0.19988759722244076,
12.650384365833903,
0.5670689630694381
],
[
-0.19988759722244076,
14.819832680833903,
3.6386017530694383
],
[
-0.19988759722244054,
7.349775584166096,
5.595109436930562
],
[
-0.8457080036293045,
14.548599989822954,
5.952685386737917
],
[
-0.8457080036293045,
7.621008275177047,
3.281025803262083
],
[
0.8457080036293045,
5.451559960177047,
0.2094930132620831
],
[
0.8457080036293045,
12.379151674822953,
2.881152596737917
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.16951812,
0,
0
],
[
0,
-1.19183212,
1.49370431
],
[
0,
1.49370423,
-3.14372559
]
] | -146.978296 | -158.498296 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01948205,
-0.00518434,
0.03910574
],
[
-0.01948205,
0.00518434,
-0.03910574
],
[
0.01948205,
0.00518434,
-0.03910574
],
[
0.01948205,
-0.00518434,
0.03910574
],
[
0.00400919,
-0.05653562,
0.12815433
],
[
0.00400919,
0.05653562,
-0.12815433
],
[
-0.00400919,
0.05653562,
-0.12815433
],
[
-0.00400919,
-0.05653562,
0.12815433
],
[
-0.01048161,
0.00635671,
-0.01313947
],
[
-0.01048161,
-0.00635671,
0.01313947
],
[
0.01048161,
-0.00635671,
0.01313947
],
[
0.01048161,
0.00635671,
-0.01313947
],
[
0.02257955,
-0.02687329,
-0.01948573
],
[
0.02257955,
0.02687329,
0.01948573
],
[
-0.02257955,
0.02687329,
0.01948573
],
[
-0.02257955,
-0.02687329,
-0.01948573
],
[
0.00264572,
0.02188719,
0.00236955
],
[
0.00264572,
-0.02188719,
-0.00236955
],
[
-0.00264572,
-0.02188719,
-0.00236955
],
[
-0.00264572,
0.02188719,
0.00236955
]
] |
pbe
| true | 15 |
agm005266151-pbe-406
| 406 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.29664963,
7.82355052,
0.00759025
],
[
-3.29664963,
7.82355052,
0.00759025
],
[
0,
4.33343393,
6.14032192
]
] |
agm005266151
|
[
[
1.648324815,
3.91177526,
0.003795125
],
[
-1.648324815,
6.078492225,
3.073956085
],
[
0.7943832768947656,
4.085009474622184,
2.7354180094976277
],
[
0.7943832768947652,
13.728808530377817,
0.3499234505023723
],
[
-0.7943832768947652,
15.895525495377818,
3.420084410502372
],
[
-0.7943832768947656,
6.251726439622184,
5.805578969497628
],
[
-2.4923923270329476,
11.320487755867791,
4.05670933614384
],
[
-2.4923923270329476,
10.82676417913221,
5.168954043856159
],
[
2.4923923270329476,
8.660047214132211,
2.0987930838561595
],
[
2.4923923270329476,
9.15377079086779,
0.9865483761438407
],
[
-1.850514699341686,
11.22645096158239,
1.8624139574784953
],
[
-1.8505146993416859,
6.58736704341761,
1.2229275025215045
],
[
1.8505146993416859,
8.75408400841761,
4.293088462521505
],
[
1.850514699341686,
13.39316792658239,
4.932574917478496
],
[
0.2003658481014069,
5.17568647125419,
2.522113160347243
],
[
0.200365848101407,
12.638131533745812,
0.5632282996527569
],
[
-0.200365848101407,
14.80484849874581,
3.6333892596527573
],
[
-0.2003658481014069,
7.342403436254189,
5.592274120347242
],
[
-0.847778847219905,
14.532521425253478,
5.9460890329983815
],
[
-0.8477788472199049,
7.614730509746522,
3.2795743470016188
],
[
0.8477788472199049,
5.448013544746523,
0.2094133870016187
],
[
0.847778847219905,
12.365804460253479,
2.875928072998381
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.38841774,
0,
0
],
[
0,
-0.08059673,
0.90937601
],
[
0,
0.90937595,
-1.73469039
]
] | -146.978454 | -158.498454 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00928226,
-0.01118938,
0.02088603
],
[
-0.00928226,
0.01118938,
-0.02088603
],
[
0.00928226,
0.01118938,
-0.02088603
],
[
0.00928226,
-0.01118938,
0.02088603
],
[
0.00326948,
-0.02419325,
0.05302108
],
[
0.00326948,
0.02419325,
-0.05302108
],
[
-0.00326948,
0.02419325,
-0.05302108
],
[
-0.00326948,
-0.02419325,
0.05302108
],
[
-0.008393,
-0.00104099,
-0.00736016
],
[
-0.008393,
0.00104099,
0.00736016
],
[
0.008393,
0.00104099,
0.00736016
],
[
0.008393,
-0.00104099,
-0.00736016
],
[
0.01043223,
-0.01183053,
-0.01650587
],
[
0.01043223,
0.01183053,
0.01650587
],
[
-0.01043223,
0.01183053,
0.01650587
],
[
-0.01043223,
-0.01183053,
-0.01650587
],
[
0.00457171,
0.01355708,
0.00320894
],
[
0.00457171,
-0.01355708,
-0.00320894
],
[
-0.00457171,
-0.01355708,
-0.00320894
],
[
-0.00457171,
0.01355708,
0.00320894
]
] |
pbe
| true | 15 |
agm005266151-pbe-407
| 407 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.29564889,
7.82728969,
0.00893996
],
[
-3.29564889,
7.82728969,
0.00893996
],
[
0,
4.33656323,
6.14149349
]
] |
agm005266151
|
[
[
1.647824445,
3.913644845,
0.00446998
],
[
-1.647824445,
6.08192646,
3.075216725
],
[
0.7938808856417862,
4.087156708770046,
2.7360123750915313
],
[
0.7938808856417863,
13.735704286229952,
0.3526142899084688
],
[
-0.7938808856417863,
15.903985901229952,
3.4233610349084693
],
[
-0.7938808856417862,
6.255438323770046,
5.806759120091532
],
[
-2.4920573089908507,
11.326409105293962,
4.058940000250255
],
[
-2.4920573089908507,
10.833015119706038,
5.171180154749746
],
[
2.4920573089908507,
8.664733504706039,
2.1004334097497463
],
[
2.4920573089908507,
9.158127490293962,
0.9881932552502541
],
[
-1.8502773097898113,
11.231952503647403,
1.8644627427609037
],
[
-1.8502773097898113,
6.590908491352597,
1.2241639222390963
],
[
1.8502773097898113,
8.759190106352596,
4.294910667239097
],
[
1.8502773097898113,
13.400234118647402,
4.935209487760904
],
[
0.20016509124335125,
5.1781789221711225,
2.522827330257543
],
[
0.2001650912433517,
12.644682072828878,
0.5657993347424572
],
[
-0.2001650912433517,
14.812963687828878,
3.636546079742457
],
[
-0.20016509124335125,
7.346460537171122,
5.593574075257543
],
[
-0.8466723692122069,
14.541317415216302,
5.949735263447407
],
[
-0.8466723692122067,
7.618106809783701,
3.2803848915525937
],
[
0.8466723692122067,
5.4498251947837,
0.2096381465525933
],
[
0.8466723692122069,
12.373035800216302,
2.878988518447407
]
] |
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
|
[
"Co",
"Co",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] |
2024-05-07 00:00:00
|
[
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] |
[
[
0.27669711,
0,
0
],
[
0,
-0.47622858,
0.92401276
],
[
0,
0.92401279,
-1.8267061
]
] | -146.978576 | -158.498576 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01266857,
-0.00884016,
0.02811777
],
[
-0.01266857,
0.00884016,
-0.02811777
],
[
0.01266857,
0.00884016,
-0.02811777
],
[
0.01266857,
-0.00884016,
0.02811777
],
[
0.00337841,
-0.01548069,
0.03460295
],
[
0.00337841,
0.01548069,
-0.03460295
],
[
-0.00337841,
0.01548069,
-0.03460295
],
[
-0.00337841,
-0.01548069,
0.03460295
],
[
-0.0103259,
0.00264328,
-0.00720861
],
[
-0.0103259,
-0.00264328,
0.00720861
],
[
0.0103259,
-0.00264328,
0.00720861
],
[
0.0103259,
0.00264328,
-0.00720861
],
[
0.01603966,
-0.01942686,
-0.01679916
],
[
0.01603966,
0.01942686,
0.01679916
],
[
-0.01603966,
0.01942686,
0.01679916
],
[
-0.01603966,
-0.01942686,
-0.01679916
],
[
0.00350988,
0.01713301,
0.00281665
],
[
0.00350988,
-0.01713301,
-0.00281665
],
[
-0.00350988,
-0.01713301,
-0.00281665
],
[
-0.00350988,
0.01713301,
0.00281665
]
] |
pbe
| true | 15 |
agm005266151-pbe-408
| 408 | 2 |