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 |
[
[
3.29264669,
7.8385072,
0.01298912
],
[
-3.29264669,
7.8385072,
0.01298912
],
[
0,
4.34595114,
6.14500817
]
] |
agm005266151
|
[
[
1.646323345,
3.9192536,
0.00649456
],
[
-1.646323345,
6.0922291699999995,
3.078998645
],
[
0.792374438154493,
4.093596806560704,
2.7377947100324698
],
[
0.7923744381544933,
13.756393163439293,
0.3606876149675302
],
[
-0.7923744381544933,
15.929368733439293,
3.43319169996753
],
[
-0.792374438154493,
6.266572376560704,
5.81029879503247
],
[
-2.4910511289372286,
11.344172442709286,
4.065631679232348
],
[
-2.4910511289372286,
10.851768667290711,
5.177858815767651
],
[
2.4910511289372286,
8.678793097290711,
2.105354730767652
],
[
2.4910511289372286,
9.171196872709288,
0.9931275942323485
],
[
-1.8495642667929333,
11.248456214890874,
1.8706088583042055
],
[
-1.849564266792933,
6.601533755109125,
1.2278734666957944
],
[
1.849564266792933,
8.774509325109126,
4.300377551695794
],
[
1.8495642667929333,
13.421431784890874,
4.943112943304206
],
[
0.19956316714607059,
5.185653822680771,
2.524969058891771
],
[
0.19956316714607025,
12.664336147319228,
0.5735132661082287
],
[
-0.19956316714607025,
14.837311717319228,
3.646017351108229
],
[
-0.19956316714607059,
7.358629392680771,
5.597473143891771
],
[
-0.8433553100174358,
14.567709885351444,
5.960675787060408
],
[
-0.8433553100174356,
7.6282312246485535,
3.2828147079395915
],
[
0.8433553100174356,
5.455255654648553,
0.21031062293959168
],
[
0.8433553100174358,
12.394734315351446,
2.888171702060408
]
] |
[{"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
] |
[
[
-0.01973195,
0,
0
],
[
0,
-1.72460944,
0.93928556
],
[
0,
0.93928552,
-2.13306321
]
] | -146.978771 | -158.498771 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.02235544,
-0.00180302,
0.04896673
],
[
-0.02235544,
0.00180302,
-0.04896673
],
[
0.02235544,
0.00180302,
-0.04896673
],
[
0.02235544,
-0.00180302,
0.04896673
],
[
0.0034701,
0.010529,
-0.02133867
],
[
0.0034701,
-0.010529,
0.02133867
],
[
-0.0034701,
-0.010529,
0.02133867
],
[
-0.0034701,
0.010529,
-0.02133867
],
[
-0.01718173,
0.01352884,
-0.00648712
],
[
-0.01718173,
-0.01352884,
0.00648712
],
[
0.01718173,
-0.01352884,
0.00648712
],
[
0.01718173,
0.01352884,
-0.00648712
],
[
0.03222918,
-0.04291669,
-0.01833761
],
[
0.03222918,
0.04291669,
0.01833761
],
[
-0.03222918,
0.04291669,
0.01833761
],
[
-0.03222918,
-0.04291669,
-0.01833761
],
[
0.00113283,
0.02847726,
0.00234148
],
[
0.00113283,
-0.02847726,
-0.00234148
],
[
-0.00113283,
-0.02847726,
-0.00234148
],
[
-0.00113283,
0.02847726,
0.00234148
]
] |
pbe
| true | 15 |
agm005266151-pbe-409
| 409 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.53272219,
7.16092816,
-0.028384
],
[
-3.53272219,
7.16092816,
-0.028384
],
[
0,
3.94447966,
6.09243607
]
] |
agm005266151
|
[
[
1.766361095,
3.58046408,
-0.014192
],
[
-1.766361095,
5.55270391,
3.032026035
],
[
0.7899511610525743,
3.7484397737985837,
2.6816810585462005
],
[
0.7899511610525747,
12.545656376201416,
0.3077689764537992
],
[
-0.7899511610525747,
14.517896206201417,
3.3539870114537984
],
[
-0.7899511610525743,
5.720679603798584,
5.727899093546201
],
[
-2.7155197512826534,
10.354271058915469,
3.981907733854431
],
[
-2.715519751282653,
9.88430475108453,
5.099978371145569
],
[
2.715519751282653,
7.91206492108453,
2.0537603361455683
],
[
2.7155197512826534,
8.38203122891547,
0.9356896988544315
],
[
-2.0183348367983953,
10.255238248783451,
1.8101788127714236
],
[
-2.0183348367983953,
6.038857901216551,
1.1792712222285764
],
[
2.0183348367983953,
8.011097731216552,
4.225489257228577
],
[
2.0183348367983953,
12.22747807878345,
4.856396847771423
],
[
0.11744983576373125,
4.78063014085298,
2.4165196643265134
],
[
0.11744983576373125,
11.51346600914702,
0.5729303706734865
],
[
-0.11744983576373125,
13.48570583914702,
3.6191484056734864
],
[
-0.11744983576373125,
6.752869970852981,
5.462737699326513
],
[
-1.078042324050429,
13.09579194166743,
5.8445837248228925
],
[
-1.0780423240504289,
7.142783868332569,
3.2373023801771073
],
[
1.0780423240504289,
5.170544038332569,
0.1910843451771075
],
[
1.078042324050429,
11.12355211166743,
2.7983656898228926
]
] |
[{"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
] |
[
[
-0.08748394,
0,
0
],
[
0,
-1.14771307,
-0.08673557
],
[
0,
-0.08673555,
1.39986177
]
] | -146.824712 | -158.344712 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.05019753,
-0.02226279,
0.0335065
],
[
0.05019753,
0.02226279,
-0.0335065
],
[
-0.05019753,
0.02226279,
-0.0335065
],
[
-0.05019753,
-0.02226279,
0.0335065
],
[
-0.01306796,
0.16097662,
-0.32958985
],
[
-0.01306796,
-0.16097662,
0.32958985
],
[
0.01306796,
-0.16097662,
0.32958985
],
[
0.01306796,
0.16097662,
-0.32958985
],
[
0.02326362,
0.00045549,
-0.02296328
],
[
0.02326362,
-0.00045549,
0.02296328
],
[
-0.02326362,
-0.00045549,
0.02296328
],
[
-0.02326362,
0.00045549,
-0.02296328
],
[
0.01632937,
-0.01397932,
0.08021584
],
[
0.01632937,
0.01397932,
-0.08021584
],
[
-0.01632937,
0.01397932,
-0.08021584
],
[
-0.01632937,
-0.01397932,
0.08021584
],
[
0.02780915,
0.03980122,
0.00298872
],
[
0.02780915,
-0.03980122,
-0.00298872
],
[
-0.02780915,
-0.03980122,
-0.00298872
],
[
-0.02780915,
0.03980122,
0.00298872
]
] |
pbe
| true | 15 |
agm005266151-pbe-41
| 41 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.29131989,
7.84280289,
0.01514236
],
[
-3.29131989,
7.84280289,
0.01514236
],
[
0,
4.35001902,
6.14611745
]
] |
agm005266151
|
[
[
1.645659945,
3.921401445,
0.00757118
],
[
-1.645659945,
6.096410955,
3.080629905
],
[
0.7915865260065947,
4.096214820497731,
2.738754314934781
],
[
0.7915865260065948,
13.764400469502268,
0.3645891300652188
],
[
-0.7915865260065948,
15.939409979502269,
3.437647855065219
],
[
-0.7915865260065947,
6.271224330497731,
5.811813039934782
],
[
-2.4905865227135036,
11.351311420244517,
4.068572494121018
],
[
-2.4905865227135044,
10.859322889755482,
5.180888400878982
],
[
2.4905865227135044,
8.684313379755482,
2.107829675878982
],
[
2.4905865227135036,
9.176301910244517,
0.9955137691210181
],
[
-1.8493427168682686,
11.254960896426399,
1.8736165686200745
],
[
-1.8493427168682686,
6.605654393573599,
1.2297268763799252
],
[
1.8493427168682686,
8.780663903573599,
4.3027856013799255
],
[
1.8493427168682686,
13.4299704064264,
4.946675293620075
],
[
0.199474358604119,
5.188401168990936,
2.5257911722111
],
[
0.19947435860411922,
12.672214121009063,
0.5775522727889005
],
[
-0.19947435860411922,
14.847223631009062,
3.6506109977889003
],
[
-0.199474358604119,
7.363410678990936,
5.5988498972111005
],
[
-0.8418849373503596,
14.578576322670862,
5.965574381178981
],
[
-0.8418849373503593,
7.632057987329137,
3.2838865138210194
],
[
0.8418849373503593,
5.457048477329137,
0.21082778882101963
],
[
0.8418849373503596,
12.403566812670864,
2.8925156561789804
]
] |
[{"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
] |
[
[
0.0472137,
0,
0
],
[
0,
-1.50676319,
0.75040918
],
[
0,
0.75040911,
-1.86111959
]
] | -146.979058 | -158.499058 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01560797,
-0.00692258,
0.04116607
],
[
-0.01560797,
0.00692258,
-0.04116607
],
[
0.01560797,
0.00692258,
-0.04116607
],
[
0.01560797,
-0.00692258,
0.04116607
],
[
0.0034805,
0.01066857,
-0.02158562
],
[
0.0034805,
-0.01066857,
0.02158562
],
[
-0.0034805,
-0.01066857,
0.02158562
],
[
-0.0034805,
0.01066857,
-0.02158562
],
[
-0.01810981,
0.0134633,
-0.00400501
],
[
-0.01810981,
-0.0134633,
0.00400501
],
[
0.01810981,
-0.0134633,
0.00400501
],
[
0.01810981,
0.0134633,
-0.00400501
],
[
0.02707897,
-0.03383175,
-0.01949473
],
[
0.02707897,
0.03383175,
0.01949473
],
[
-0.02707897,
0.03383175,
0.01949473
],
[
-0.02707897,
-0.03383175,
-0.01949473
],
[
0.00199633,
0.02833071,
0.0024095
],
[
0.00199633,
-0.02833071,
-0.0024095
],
[
-0.00199633,
-0.02833071,
-0.0024095
],
[
-0.00199633,
0.02833071,
0.0024095
]
] |
pbe
| true | 15 |
agm005266151-pbe-410
| 410 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.28733947,
7.85568995,
0.02160209
],
[
-3.28733947,
7.85568995,
0.02160209
],
[
0,
4.36222268,
6.14944531
]
] |
agm005266151
|
[
[
1.643669735,
3.927844975,
0.010801045
],
[
-1.643669735,
6.108956315,
3.0855237
],
[
0.7892245585777841,
4.104066750455053,
2.741632233711653
],
[
0.789224558577784,
13.788424489544948,
0.3762946012883468
],
[
-0.789224558577784,
15.969535829544947,
3.4510172562883463
],
[
-0.7892245585777841,
6.285178090455053,
5.816354888711653
],
[
-2.4891907052162177,
11.372727282790365,
4.077394604832406
],
[
-2.489190705216217,
10.881986637209636,
5.189977540167593
],
[
2.489190705216217,
8.700875297209636,
2.1152548851675936
],
[
2.4891907052162177,
9.191615942790364,
1.0026719498324066
],
[
-1.8486762125841123,
11.274474007445447,
1.882639357579046
],
[
-1.848676212584112,
6.618017232554554,
1.235287477420954
],
[
1.848676212584112,
8.799128572554554,
4.310010132420954
],
[
1.8486762125841123,
13.455585347445448,
4.957362012579046
],
[
0.19920784087279508,
5.196637874350394,
2.5282556482494947
],
[
0.19920784087279486,
12.695853365649606,
0.5896711867505054
],
[
-0.19920784087279486,
14.876964705649607,
3.6643938417505058
],
[
-0.19920784087279508,
7.377749214350395,
5.602978303249494
],
[
-0.8374779682285471,
14.61118450348908,
5.980273169863944
],
[
-0.8374779682285473,
7.643529416510923,
3.2870989751360553
],
[
0.8374779682285473,
5.462418076510922,
0.21237632013605517
],
[
0.8374779682285471,
12.43007316348908,
2.905550514863945
]
] |
[{"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
] |
[
[
0.30013248,
0,
0
],
[
0,
-0.89498241,
0.16222646
],
[
0,
0.16222646,
-1.0649411
]
] | -146.979756 | -158.499756 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00429791,
-0.02177994,
0.01778767
],
[
0.00429791,
0.02177994,
-0.01778767
],
[
-0.00429791,
0.02177994,
-0.01778767
],
[
-0.00429791,
-0.02177994,
0.01778767
],
[
0.00335355,
0.01072629,
-0.02208547
],
[
0.00335355,
-0.01072629,
0.02208547
],
[
-0.00335355,
-0.01072629,
0.02208547
],
[
-0.00335355,
0.01072629,
-0.02208547
],
[
-0.02138494,
0.01327476,
0.00298522
],
[
-0.02138494,
-0.01327476,
-0.00298522
],
[
0.02138494,
-0.01327476,
-0.00298522
],
[
0.02138494,
0.01327476,
0.00298522
],
[
0.01147605,
-0.00695289,
-0.02312162
],
[
0.01147605,
0.00695289,
0.02312162
],
[
-0.01147605,
0.00695289,
0.02312162
],
[
-0.01147605,
-0.00695289,
-0.02312162
],
[
0.00384909,
0.02901239,
0.00233239
],
[
0.00384909,
-0.02901239,
-0.00233239
],
[
-0.00384909,
-0.02901239,
-0.00233239
],
[
-0.00384909,
0.02901239,
0.00233239
]
] |
pbe
| true | 15 |
agm005266151-pbe-411
| 411 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27937864,
7.88146409,
0.03452155
],
[
-3.27937864,
7.88146409,
0.03452155
],
[
0,
4.38662998,
6.15610102
]
] |
agm005266151
|
[
[
1.63968932,
3.940732045,
0.017260775
],
[
-1.63968932,
6.134047035,
3.095311285
],
[
0.784507387526816,
4.119761974915641,
2.74738439470199
],
[
0.784507387526816,
13.836481195084357,
0.39970921529801
],
[
-0.784507387526816,
16.029796185084358,
3.477759725298011
],
[
-0.784507387526816,
6.313076964915641,
5.82543490470199
],
[
-2.4863912384231535,
11.415554115192954,
4.095037031183905
],
[
-2.4863912384231535,
10.927319034807049,
5.208157598816096
],
[
2.4863912384231535,
8.734004044807048,
2.130107088816095
],
[
2.4863912384231535,
9.222239125192953,
1.0169865211839049
],
[
-1.8473356402304322,
11.313496386625705,
1.900683345721019
],
[
-1.847335640230432,
6.642746783374296,
1.2464102642789807
],
[
1.847335640230432,
8.836061773374295,
4.324460774278981
],
[
1.8473356402304322,
13.506811376625704,
4.9787338557210195
],
[
0.19867502246634317,
5.213090259990574,
2.5331771060795
],
[
0.19867502246634317,
12.743152910009426,
0.6139165039204999
],
[
-0.19867502246634317,
14.936467900009426,
3.6919670139205003
],
[
-0.19867502246634317,
7.406405249990575,
5.611227616079501
],
[
-0.8286803882511113,
14.676435098673313,
6.009682652311039
],
[
-0.8286803882511113,
7.66643805132669,
3.293511977688962
],
[
0.8286803882511113,
5.47312306132669,
0.21546146768896152
],
[
0.8286803882511113,
12.483120108673312,
2.9316321423110385
]
] |
[{"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
] |
[
[
0.75744517,
0,
0
],
[
0,
0.3297799,
-1.01550284
],
[
0,
-1.01550274,
0.51376886
]
] | -146.980431 | -158.500431 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.04437837,
-0.05251005,
-0.02965761
],
[
0.04437837,
0.05251005,
0.02965761
],
[
-0.04437837,
0.05251005,
0.02965761
],
[
-0.04437837,
-0.05251005,
-0.02965761
],
[
0.00303215,
0.0108857,
-0.02308723
],
[
0.00303215,
-0.0108857,
0.02308723
],
[
-0.00303215,
-0.0108857,
0.02308723
],
[
-0.00303215,
0.0108857,
-0.02308723
],
[
-0.02797129,
0.01320765,
0.01717011
],
[
-0.02797129,
-0.01320765,
-0.01717011
],
[
0.02797129,
-0.01320765,
-0.01717011
],
[
0.02797129,
0.01320765,
0.01717011
],
[
-0.01973198,
0.0474842,
-0.03077355
],
[
-0.01973198,
-0.0474842,
0.03077355
],
[
0.01973198,
-0.0474842,
0.03077355
],
[
0.01973198,
0.0474842,
-0.03077355
],
[
0.00815428,
0.02921345,
0.00162694
],
[
0.00815428,
-0.02921345,
-0.00162694
],
[
-0.00815428,
-0.02921345,
-0.00162694
],
[
-0.00815428,
0.02921345,
0.00162694
]
] |
pbe
| true | 15 |
agm005266151-pbe-412
| 412 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.2770266,
7.88986462,
0.03811733
],
[
-3.2770266,
7.88986462,
0.03811733
],
[
0,
4.39410516,
6.15814849
]
] |
agm005266151
|
[
[
1.6385133,
3.94493231,
0.019058665
],
[
-1.6385133,
6.14198489,
3.0981329100000004
],
[
0.783376715148462,
4.124299097845798,
2.748825475114605
],
[
0.7833767151484619,
13.852482722154202,
0.4064834298853952
],
[
-0.7833767151484619,
16.0495353021542,
3.4855576748853956
],
[
-0.783376715148462,
6.321351677845798,
5.827899720114605
],
[
-2.485611764615196,
11.429285222099416,
4.09987938495471
],
[
-2.485611764615196,
10.941601757900584,
5.213578010045291
],
[
2.485611764615196,
8.744549177900582,
2.1345037650452903
],
[
2.485611764615196,
9.232232642099415,
1.0208051399547102
],
[
-1.8472112305749904,
11.3261750838232,
1.9058761768319765
],
[
-1.8472112305749901,
6.650606736176801,
1.2494327281680235
],
[
1.8472112305749901,
8.8476593161768,
4.3285069731680235
],
[
1.8472112305749904,
13.5232276638232,
4.984950421831977
],
[
0.19837267516371004,
5.2186419334842435,
2.534269070059491
],
[
0.19837267516371027,
12.758139886515757,
0.6210398349405089
],
[
-0.19837267516371027,
14.955192466515758,
3.7001140799405094
],
[
-0.19837267516371004,
7.415694513484244,
5.613343315059492
],
[
-0.8258754900158822,
14.697388602005269,
6.018298333335477
],
[
-0.825875490015882,
7.673498377994732,
3.295159061664524
],
[
0.825875490015882,
5.476445797994732,
0.2160848166645237
],
[
0.8258754900158822,
12.500336022005268,
2.939224088335476
]
] |
[{"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
] |
[
[
0.70683996,
0,
0
],
[
0,
-0.04925384,
-0.7573796
],
[
0,
-0.75737965,
0.87683554
]
] | -146.98079 | -158.50079 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.02300002,
-0.01385046,
-0.03458345
],
[
0.02300002,
0.01385046,
0.03458345
],
[
-0.02300002,
0.01385046,
0.03458345
],
[
-0.02300002,
-0.01385046,
-0.03458345
],
[
0.00253446,
-0.00544358,
0.01777944
],
[
0.00253446,
0.00544358,
-0.01777944
],
[
-0.00253446,
0.00544358,
-0.01777944
],
[
-0.00253446,
-0.00544358,
0.01777944
],
[
-0.01703664,
0.00076411,
0.00559118
],
[
-0.01703664,
-0.00076411,
-0.00559118
],
[
0.01703664,
-0.00076411,
-0.00559118
],
[
0.01703664,
0.00076411,
0.00559118
],
[
-0.01049539,
0.02895869,
-0.02478582
],
[
-0.01049539,
-0.02895869,
0.02478582
],
[
0.01049539,
-0.02895869,
0.02478582
],
[
0.01049539,
0.02895869,
-0.02478582
],
[
0.01116545,
0.0264652,
0.00067713
],
[
0.01116545,
-0.0264652,
-0.00067713
],
[
-0.01116545,
-0.0264652,
-0.00067713
],
[
-0.01116545,
0.0264652,
0.00067713
]
] |
pbe
| true | 15 |
agm005266151-pbe-413
| 413 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27493648,
7.89732965,
0.04131268
],
[
-3.27493648,
7.89732965,
0.04131268
],
[
0,
4.40074789,
6.15996796
]
] |
agm005266151
|
[
[
1.63746824,
3.948664825,
0.02065634
],
[
-1.63746824,
6.14903877,
3.10064032
],
[
0.7823722382676416,
4.12833002878008,
2.7501057130002886
],
[
0.7823722382676417,
13.86670321621992,
0.4125036269997116
],
[
-0.7823722382676417,
16.06707716121992,
3.4924876069997124
],
[
-0.7823722382676416,
6.32870397378008,
5.830089693000288
],
[
-2.484918509527421,
11.44148674767031,
4.104182368297699
],
[
-2.4849185095274207,
10.954294387329691,
5.218394931702302
],
[
2.4849185095274207,
8.75392044232969,
2.1384109517023013
],
[
2.484918509527421,
9.24111280267031,
1.0241983882976988
],
[
-1.8471000025250912,
11.337441629552293,
1.9104907083835556
],
[
-1.8471000025250914,
6.657591615447706,
1.2521186316164443
],
[
1.8471000025250914,
8.857965560447706,
4.332102611616445
],
[
1.8471000025250912,
13.537815574552294,
4.990474688383555
],
[
0.19810401886485596,
5.223573981570206,
2.5352390690186493
],
[
0.19810401886485618,
12.771459263429794,
0.6273702709813505
],
[
-0.19810401886485618,
14.971833208429793,
3.7073542509813504
],
[
-0.19810401886485596,
7.4239479265702055,
5.615223049018651
],
[
-0.8233842350573166,
14.716011538814625,
6.025955509316008
],
[
-0.8233842350573168,
7.679769596185374,
3.296621790683993
],
[
0.8233842350573168,
5.479395651185374,
0.2166378106839928
],
[
0.8233842350573166,
12.515637593814624,
2.9459715293160076
]
] |
[{"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
] |
[
[
0.68699984,
0,
0
],
[
0,
-0.36304722,
-0.52987746
],
[
0,
-0.52987742,
1.21659221
]
] | -146.980954 | -158.500954 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00416945,
0.02002645,
-0.039118
],
[
0.00416945,
-0.02002645,
0.039118
],
[
-0.00416945,
-0.02002645,
0.039118
],
[
-0.00416945,
0.02002645,
-0.039118
],
[
0.00197074,
-0.01996649,
0.05399947
],
[
0.00197074,
0.01996649,
-0.05399947
],
[
-0.00197074,
0.01996649,
-0.05399947
],
[
-0.00197074,
-0.01996649,
0.05399947
],
[
-0.00741156,
-0.01017042,
-0.0048943
],
[
-0.00741156,
0.01017042,
0.0048943
],
[
0.00741156,
0.01017042,
0.0048943
],
[
0.00741156,
-0.01017042,
-0.0048943
],
[
-0.00242805,
0.01239569,
-0.01924868
],
[
-0.00242805,
-0.01239569,
0.01924868
],
[
0.00242805,
-0.01239569,
0.01924868
],
[
0.00242805,
0.01239569,
-0.01924868
],
[
0.01319484,
0.02446358,
-0.00022723
],
[
0.01319484,
-0.02446358,
0.00022723
],
[
-0.01319484,
-0.02446358,
0.00022723
],
[
-0.01319484,
0.02446358,
-0.00022723
]
] |
pbe
| true | 15 |
agm005266151-pbe-414
| 414 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27075624,
7.91225971,
0.04770338
],
[
-3.27075624,
7.91225971,
0.04770338
],
[
0,
4.41403334,
6.1636069
]
] |
agm005266151
|
[
[
1.63537812,
3.956129855,
0.02385169
],
[
-1.63537812,
6.163146525,
3.10565514
],
[
0.7803646289218655,
4.136387324838037,
2.7526645513146164
],
[
0.7803646289218658,
13.895148765161963,
0.4245456586853834
],
[
-0.7803646289218658,
16.10216543516196,
3.5063491086853835
],
[
-0.7803646289218655,
6.343403994838037,
5.834468001314618
],
[
-2.4835296626093015,
11.46588836572323,
4.112787903247293
],
[
-2.4835296626093015,
10.97968106427677,
5.2280292067527085
],
[
2.4835296626093015,
8.77266439427677,
2.146225756752708
],
[
2.4835296626093015,
9.25887169572323,
1.0309844532472923
],
[
-1.8468748345017452,
11.359974145946236,
1.9197193524975562
],
[
-1.8468748345017456,
6.671561944053763,
1.2574908575024437
],
[
1.8468748345017456,
8.878578614053762,
4.339294307502444
],
[
1.8468748345017452,
13.566990815946236,
5.001522802497556
],
[
0.19756715241170875,
5.233432300965404,
2.537177296248262
],
[
0.19756715241170886,
12.798103789034597,
0.6400329137517379
],
[
-0.19756715241170886,
15.005120459034597,
3.721836363751738
],
[
-0.19756715241170875,
7.440448970965404,
5.618980746248262
],
[
-0.8184066966266186,
14.753268913974484,
6.041273653584521
],
[
-0.8184066966266185,
7.692300516025515,
3.2995434564154795
],
[
0.8184066966266185,
5.485283846025515,
0.2177400064154796
],
[
0.8184066966266186,
12.546252243974486,
2.959470203584521
]
] |
[{"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
] |
[
[
0.6692908,
0,
0
],
[
0,
-0.98060373,
-0.07760859
],
[
0,
-0.07760865,
1.90926095
]
] | -146.980834 | -158.500834 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.03335934,
0.08772158,
-0.04804431
],
[
-0.03335934,
-0.08772158,
0.04804431
],
[
0.03335934,
-0.08772158,
0.04804431
],
[
0.03335934,
0.08772158,
-0.04804431
],
[
0.00072394,
-0.04895418,
0.12646089
],
[
0.00072394,
0.04895418,
-0.12646089
],
[
-0.00072394,
0.04895418,
-0.12646089
],
[
-0.00072394,
-0.04895418,
0.12646089
],
[
0.01181357,
-0.03203335,
-0.02621742
],
[
0.01181357,
0.03203335,
0.02621742
],
[
-0.01181357,
0.03203335,
0.02621742
],
[
-0.01181357,
-0.03203335,
-0.02621742
],
[
0.01337584,
-0.02057338,
-0.00786003
],
[
0.01337584,
0.02057338,
0.00786003
],
[
-0.01337584,
0.02057338,
0.00786003
],
[
-0.01337584,
-0.02057338,
-0.00786003
],
[
0.01677674,
0.02107813,
-0.00195935
],
[
0.01677674,
-0.02107813,
0.00195935
],
[
-0.01677674,
-0.02107813,
0.00195935
],
[
-0.01677674,
0.02107813,
-0.00195935
]
] |
pbe
| true | 15 |
agm005266151-pbe-415
| 415 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27373836,
7.90160882,
0.04314434
],
[
-3.27373836,
7.90160882,
0.04314434
],
[
0,
4.40455569,
6.16101093
]
] |
agm005266151
|
[
[
1.63686918,
3.95080441,
0.02157217
],
[
-1.63686918,
6.153082254999999,
3.1020776349999997
],
[
0.7817974965281843,
4.130637167633141,
2.750838318697279
],
[
0.7817974965281844,
13.874858317366858,
0.4159558263027211
],
[
-0.7817974965281844,
16.07713616236686,
3.496461291302721
],
[
-0.7817974965281843,
6.3329150126331415,
5.831343783697279
],
[
-2.4845192658723114,
11.44847974967794,
4.106648583511041
],
[
-2.484519265872312,
10.96157142532206,
5.2211564914889586
],
[
2.484519265872312,
8.759293580322058,
2.1406510264889587
],
[
2.4845192658723114,
9.24620190467794,
1.0261431185110417
],
[
-1.8470340817193591,
11.343899381187828,
1.913135549087748
],
[
-1.8470340817193591,
6.661596103812173,
1.253658595912252
],
[
1.8470340817193591,
8.863873948812174,
4.334164060912252
],
[
1.8470340817193591,
13.546177226187826,
4.993641014087748
],
[
0.19795032199913043,
5.226396648532883,
2.535793753071863
],
[
0.19795032199913054,
12.779098836467115,
0.631000391928137
],
[
-0.19795032199913054,
14.981376681467115,
3.7115058569281367
],
[
-0.19795032199913043,
7.428674493532882,
5.6162992180718625
],
[
-0.8219601443146511,
14.72669591941612,
6.030347833139114
],
[
-0.8219601443146511,
7.68335525558388,
3.297457241860885
],
[
0.8219601443146511,
5.481077410583881,
0.216951776860885
],
[
0.8219601443146511,
12.524418074416118,
2.9498423681391146
]
] |
[{"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
] |
[
[
0.68570751,
0,
0
],
[
0,
-0.52536678,
-0.40071677
],
[
0,
-0.40071675,
1.42358481
]
] | -146.980976 | -158.500976 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00658652,
0.03942229,
-0.04173668
],
[
-0.00658652,
-0.03942229,
0.04173668
],
[
0.00658652,
-0.03942229,
0.04173668
],
[
0.00658652,
0.03942229,
-0.04173668
],
[
0.00157962,
-0.02823549,
0.07464537
],
[
0.00157962,
0.02823549,
-0.07464537
],
[
-0.00157962,
0.02823549,
-0.07464537
],
[
-0.00157962,
-0.02823549,
0.07464537
],
[
-0.00208287,
-0.01645565,
-0.01093978
],
[
-0.00208287,
0.01645565,
0.01093978
],
[
0.00208287,
0.01645565,
0.01093978
],
[
0.00208287,
-0.01645565,
-0.01093978
],
[
0.00200412,
0.00287519,
-0.01582892
],
[
0.00200412,
-0.00287519,
0.01582892
],
[
-0.00200412,
-0.00287519,
0.01582892
],
[
-0.00200412,
0.00287519,
-0.01582892
],
[
0.01395175,
0.02322289,
-0.00084205
],
[
0.01395175,
-0.02322289,
0.00084205
],
[
-0.01395175,
-0.02322289,
0.00084205
],
[
-0.01395175,
0.02322289,
-0.00084205
]
] |
pbe
| true | 15 |
agm005266151-pbe-416
| 416 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27104624,
7.91157273,
0.04730438
],
[
-3.27104624,
7.91157273,
0.04730438
],
[
0,
4.41333678,
6.1640675
]
] |
agm005266151
|
[
[
1.63552312,
3.955786365,
0.02365219
],
[
-1.63552312,
6.162454755,
3.10568594
],
[
0.7804040530486815,
4.136279594208446,
2.75241910614713
],
[
0.7804040530486818,
13.893534255791554,
0.42422340385287016
],
[
-0.7804040530486818,
16.100202645791555,
3.5062571538528697
],
[
-0.7804040530486815,
6.342947984208447,
5.834452856147129
],
[
-2.483688138907853,
11.464454349501185,
4.113324343982915
],
[
-2.483688138907853,
10.978696280498815,
5.227385666017085
],
[
2.483688138907853,
8.772027890498814,
2.145351916017086
],
[
2.483688138907853,
9.257785959501186,
1.0312905939829142
],
[
-1.8469990725157666,
11.358760747543956,
1.919256772226575
],
[
-1.8469990725157663,
6.671053102456042,
1.2573857377734252
],
[
1.8469990725157663,
8.877721492456043,
4.339419487773425
],
[
1.8469990725157666,
13.565429137543955,
5.001290522226575
],
[
0.19760966039978234,
5.232925757764413,
2.5371154986913154
],
[
0.1976096603997819,
12.796888092235587,
0.6395270113086847
],
[
-0.1976096603997819,
15.003556482235586,
3.7215607613086847
],
[
-0.19760966039978234,
7.439594147764413,
5.619149248691315
],
[
-0.8184644751265133,
14.751769716784203,
6.041099343062981
],
[
-0.8184644751265137,
7.691380913215797,
3.299610666937019
],
[
0.8184644751265137,
5.484712523215797,
0.217576916937019
],
[
0.8184644751265133,
12.545101326784204,
2.959065593062981
]
] |
[{"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
] |
[
[
0.6611195,
0,
0
],
[
0,
-0.69529671,
-0.28525708
],
[
0,
-0.28525708,
1.94215637
]
] | -146.981256 | -158.501256 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.02364141,
0.0548534,
-0.01460977
],
[
-0.02364141,
-0.0548534,
0.01460977
],
[
0.02364141,
-0.0548534,
0.01460977
],
[
0.02364141,
0.0548534,
-0.01460977
],
[
0.00116076,
0.01424107,
-0.01837941
],
[
0.00116076,
-0.01424107,
0.01837941
],
[
-0.00116076,
-0.01424107,
0.01837941
],
[
-0.00116076,
0.01424107,
-0.01837941
],
[
0.00685233,
-0.02466221,
-0.02186748
],
[
0.00685233,
0.02466221,
0.02186748
],
[
-0.00685233,
0.02466221,
0.02186748
],
[
-0.00685233,
-0.02466221,
-0.02186748
],
[
0.00846511,
-0.01095068,
-0.01120006
],
[
0.00846511,
0.01095068,
0.01120006
],
[
-0.00846511,
0.01095068,
0.01120006
],
[
-0.00846511,
-0.01095068,
-0.01120006
],
[
0.01813802,
0.01790173,
-0.00234951
],
[
0.01813802,
-0.01790173,
0.00234951
],
[
-0.01813802,
-0.01790173,
0.00234951
],
[
-0.01813802,
0.01790173,
-0.00234951
]
] |
pbe
| true | 15 |
agm005266151-pbe-417
| 417 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27005354,
7.91524686,
0.04883837
],
[
-3.27005354,
7.91524686,
0.04883837
],
[
0,
4.41657475,
6.16519459
]
] |
agm005266151
|
[
[
1.63502677,
3.95762343,
0.024419185
],
[
-1.63502677,
6.165910804999999,
3.10701648
],
[
0.7798903399046317,
4.138359992708585,
2.753001902910831
],
[
0.779890339904632,
13.900421102291414,
0.4272721320891689
],
[
-0.779890339904632,
16.108708477291415,
3.5098694270891686
],
[
-0.7798903399046317,
6.346647367708584,
5.835599197910831
],
[
-2.4833815014598333,
11.470344724404292,
4.115785968687749
],
[
-2.4833815014598333,
10.985011120595708,
5.229682656312251
],
[
2.4833815014598333,
8.776723745595708,
2.1470853613122505
],
[
2.4833815014598333,
9.26205734940429,
1.0331886736877491
],
[
-1.8469859832701763,
11.364240607634974,
1.9215139063771978
],
[
-1.8469859832701758,
6.674540487365025,
1.2587601286228016
],
[
1.8469859832701758,
8.882827862365025,
4.341357423622801
],
[
1.8469859832701763,
13.572527982634973,
5.004111201377198
],
[
0.19748405967108262,
5.235332970239421,
2.5376027497120055
],
[
0.19748405967108296,
12.803448124760578,
0.642671285287994
],
[
-0.19748405967108296,
15.01173549976058,
3.7252685802879935
],
[
-0.19748405967108262,
7.44362034523942,
5.620200044712005
],
[
-0.8171757846725305,
14.76101620167515,
6.045064127214649
],
[
-0.8171757846725305,
7.6943396433248505,
3.30040449778535
],
[
0.8171757846725305,
5.486052268324851,
0.21780720278535037
],
[
0.8171757846725305,
12.55272882667515,
2.9624668322146497
]
] |
[{"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
] |
[
[
0.7090041,
0,
0
],
[
0,
-0.68541701,
-0.24039111
],
[
0,
-0.24039117,
2.1992815
]
] | -146.981287 | -158.501287 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.02987314,
0.06019726,
-0.00467748
],
[
-0.02987314,
-0.06019726,
0.00467748
],
[
0.02987314,
-0.06019726,
0.00467748
],
[
0.02987314,
0.06019726,
-0.00467748
],
[
0.00096947,
0.02990371,
-0.0528242
],
[
0.00096947,
-0.02990371,
0.0528242
],
[
-0.00096947,
-0.02990371,
0.0528242
],
[
-0.00096947,
0.02990371,
-0.0528242
],
[
0.01025068,
-0.02769114,
-0.02656009
],
[
0.01025068,
0.02769114,
0.02656009
],
[
-0.01025068,
0.02769114,
0.02656009
],
[
-0.01025068,
-0.02769114,
-0.02656009
],
[
0.01029919,
-0.01584453,
-0.00917944
],
[
0.01029919,
0.01584453,
0.00917944
],
[
-0.01029919,
0.01584453,
0.00917944
],
[
-0.01029919,
-0.01584453,
-0.00917944
],
[
0.01908206,
0.01670836,
-0.00258691
],
[
0.01908206,
-0.01670836,
0.00258691
],
[
-0.01908206,
-0.01670836,
0.00258691
],
[
-0.01908206,
0.01670836,
-0.00258691
]
] |
pbe
| true | 15 |
agm005266151-pbe-418
| 418 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26742678,
7.92526523,
0.05306033
],
[
-3.26742678,
7.92526523,
0.05306033
],
[
0,
4.42542703,
6.16945555
]
] |
agm005266151
|
[
[
1.63371339,
3.962632615,
0.026530165
],
[
-1.63371339,
6.175346129999999,
3.11125794
],
[
0.7781990172576606,
4.144557917350261,
2.7550454197765957
],
[
0.7781990172576609,
13.918686057649738,
0.4358030152234043
],
[
-0.7781990172576609,
16.131399572649737,
3.5205307902234044
],
[
-0.7781990172576606,
6.357271432350261,
5.839773194776597
],
[
-2.4826490929892193,
11.486673448476036,
4.122838943132567
],
[
-2.4826490929892198,
11.001997556523962,
5.237465041867433
],
[
2.4826490929892198,
8.789284041523963,
2.1527372668674323
],
[
2.4826490929892193,
9.273959933476036,
1.0381111681325677
],
[
-1.8469638612299646,
11.378913312390226,
1.9278257904755083
],
[
-1.8469638612299644,
6.6843306626097725,
1.2630226445244919
],
[
1.8469638612299644,
8.897044177609772,
4.347750419524492
],
[
1.8469638612299646,
13.591626827390227,
5.012553565475509
],
[
0.197234460033903,
5.241695819701885,
2.539270953349621
],
[
0.19723446003390288,
12.821548155298114,
0.6515774816503792
],
[
-0.19723446003390288,
15.034261670298115,
3.736305256650379
],
[
-0.197234460033903,
7.454409334701885,
5.623998728349622
],
[
-0.8133839757954129,
14.786559636211097,
6.05715724091158
],
[
-0.8133839757954127,
7.702111368788904,
3.3031467440884215
],
[
0.8133839757954127,
5.489397853788904,
0.21841896908842162
],
[
0.8133839757954129,
12.573846121211096,
2.972429465911578
]
] |
[{"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
] |
[
[
0.69227465,
0,
0
],
[
0,
-0.5675329,
0.04576794
],
[
0,
0.04576787,
0.85042748
]
] | -146.981689 | -158.501689 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01626434,
0.02999805,
0.00807604
],
[
-0.01626434,
-0.02999805,
-0.00807604
],
[
0.01626434,
-0.02999805,
-0.00807604
],
[
0.01626434,
0.02999805,
0.00807604
],
[
0.00147626,
0.02253,
-0.0344745
],
[
0.00147626,
-0.02253,
0.0344745
],
[
-0.00147626,
-0.02253,
0.0344745
],
[
-0.00147626,
0.02253,
-0.0344745
],
[
0.00521769,
-0.0194307,
-0.02052942
],
[
0.00521769,
0.0194307,
0.02052942
],
[
-0.00521769,
0.0194307,
0.02052942
],
[
-0.00521769,
-0.0194307,
-0.02052942
],
[
0.0009607,
-0.00029282,
-0.01061462
],
[
0.0009607,
0.00029282,
0.01061462
],
[
-0.0009607,
0.00029282,
0.01061462
],
[
-0.0009607,
-0.00029282,
-0.01061462
],
[
0.02298033,
0.00858454,
-0.0044276
],
[
0.02298033,
-0.00858454,
0.0044276
],
[
-0.02298033,
-0.00858454,
0.0044276
],
[
-0.02298033,
0.00858454,
-0.0044276
]
] |
pbe
| true | 15 |
agm005266151-pbe-419
| 419 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.53185059,
7.16131128,
-0.02900432
],
[
-3.53185059,
7.16131128,
-0.02900432
],
[
0,
3.94416039,
6.09179593
]
] |
agm005266151
|
[
[
1.765925295,
3.58065564,
-0.01450216
],
[
-1.765925295,
5.552735835,
3.031395805
],
[
0.7900715157694217,
3.7483397339606315,
2.6814129192238534
],
[
0.790071515769422,
12.546363021039369,
0.3064764057761465
],
[
-0.790071515769422,
14.518443216039369,
3.3523743707761464
],
[
-0.7900715157694217,
5.720419928960631,
5.727310884223853
],
[
-2.714837658789482,
10.354329162489915,
3.980695715036602
],
[
-2.714837658789482,
9.884533982510085,
5.098989539963398
],
[
2.714837658789482,
7.912453787510084,
2.0530915749633976
],
[
2.714837658789482,
8.382248967489915,
0.9347977500366023
],
[
-2.0176668107472304,
10.255685358258019,
1.8089081882973181
],
[
-2.017666810747231,
6.03901739674198,
1.1789811367026817
],
[
2.017666810747231,
8.01109759174198,
4.224879101702682
],
[
2.0176668107472304,
12.227765553258017,
4.854806153297318
],
[
0.11780985633878183,
4.7807401919700405,
2.416507693687197
],
[
0.11780985633878194,
11.51396256302996,
0.571381631312803
],
[
-0.11780985633878194,
13.48604275802996,
3.617279596312803
],
[
-0.11780985633878183,
6.75282038697004,
5.462405658687197
],
[
-1.0771748732233921,
13.096363567872835,
5.8427529782752305
],
[
-1.0771748732233921,
7.142499577127164,
3.2369322767247697
],
[
1.0771748732233921,
5.170419382127164,
0.19103431172476948
],
[
1.0771748732233921,
11.124283372872835,
2.7968550132752306
]
] |
[{"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
] |
[
[
0.05696302,
0,
0
],
[
0,
-0.92067233,
-0.0939182
],
[
0,
-0.0939182,
1.55978575
]
] | -146.825189 | -158.345189 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.04884083,
-0.02104303,
0.02716671
],
[
0.04884083,
0.02104303,
-0.02716671
],
[
-0.04884083,
0.02104303,
-0.02716671
],
[
-0.04884083,
-0.02104303,
0.02716671
],
[
-0.01160453,
0.15331601,
-0.31112956
],
[
-0.01160453,
-0.15331601,
0.31112956
],
[
0.01160453,
-0.15331601,
0.31112956
],
[
0.01160453,
0.15331601,
-0.31112956
],
[
0.02488264,
-0.00247326,
-0.01921901
],
[
0.02488264,
0.00247326,
0.01921901
],
[
-0.02488264,
0.00247326,
0.01921901
],
[
-0.02488264,
-0.00247326,
-0.01921901
],
[
0.01558114,
-0.01260301,
0.08004189
],
[
0.01558114,
0.01260301,
-0.08004189
],
[
-0.01558114,
0.01260301,
-0.08004189
],
[
-0.01558114,
-0.01260301,
0.08004189
],
[
0.02740828,
0.03728577,
0.00318889
],
[
0.02740828,
-0.03728577,
-0.00318889
],
[
-0.02740828,
-0.03728577,
-0.00318889
],
[
-0.02740828,
0.03728577,
0.00318889
]
] |
pbe
| true | 15 |
agm005266151-pbe-42
| 42 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26403517,
7.93820071,
0.05851162
],
[
-3.26403517,
7.93820071,
0.05851162
],
[
0,
4.43685688,
6.1749572
]
] |
agm005266151
|
[
[
1.632017585,
3.969100355,
0.02925581
],
[
-1.632017585,
6.187528795,
3.11673441
],
[
0.7760166259041471,
4.15255859873586,
2.7576830394704683
],
[
0.776016625904147,
13.94227126126414,
0.4468188005295317
],
[
-0.776016625904147,
16.160699701264143,
3.534297400529532
],
[
-0.7760166259041471,
6.370987038735859,
5.845161639470468
],
[
-2.481701754752407,
11.507755638400981,
4.131945094966801
],
[
-2.481701754752407,
11.023931101599018,
5.247513945033199
],
[
2.481701754752407,
8.80550266159902,
2.160035345033199
],
[
2.481701754752407,
9.289327198400981,
1.0444664949668008
],
[
-1.846933313198357,
11.397856582949608,
1.9359748022868284
],
[
-1.846933313198357,
6.696973277050392,
1.2685270377131714
],
[
1.846933313198357,
8.915401717050393,
4.356005637713172
],
[
1.846933313198357,
13.616285022949608,
5.023453402286828
],
[
0.19691232205153952,
5.249906556373324,
2.541422527186215
],
[
0.1969123220515394,
12.844923303626677,
0.6630793128137844
],
[
-0.1969123220515394,
15.063351743626676,
3.7505579128137843
],
[
-0.19691232205153952,
7.468334996373324,
5.628901127186216
],
[
-0.8084922743894691,
14.81955068750744,
6.072776018938755
],
[
-0.8084922743894689,
7.71213605249256,
3.306683021061245
],
[
0.8084922743894689,
5.49370761249256,
0.219204421061245
],
[
0.8084922743894691,
12.60112224750744,
2.985297418938755
]
] |
[{"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
] |
[
[
0.70396235,
0,
0
],
[
0,
-0.35767675,
0.41542791
],
[
0,
0.41542796,
-0.84091872
]
] | -146.981905 | -158.501905 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00134929,
-0.00956764,
0.02473885
],
[
0.00134929,
0.00956764,
-0.02473885
],
[
-0.00134929,
0.00956764,
-0.02473885
],
[
-0.00134929,
-0.00956764,
0.02473885
],
[
0.00208504,
0.0129827,
-0.01061522
],
[
0.00208504,
-0.0129827,
0.01061522
],
[
-0.00208504,
-0.0129827,
0.01061522
],
[
-0.00208504,
0.0129827,
-0.01061522
],
[
-0.00096147,
-0.00883999,
-0.01362308
],
[
-0.00096147,
0.00883999,
0.01362308
],
[
0.00096147,
0.00883999,
0.01362308
],
[
0.00096147,
-0.00883999,
-0.01362308
],
[
-0.01189567,
0.02048024,
-0.01228085
],
[
-0.01189567,
-0.02048024,
0.01228085
],
[
0.01189567,
-0.02048024,
0.01228085
],
[
0.01189567,
0.02048024,
-0.01228085
],
[
0.02785015,
-0.00102046,
-0.00616645
],
[
0.02785015,
0.00102046,
0.00616645
],
[
-0.02785015,
0.00102046,
0.00616645
],
[
-0.02785015,
-0.00102046,
-0.00616645
]
] |
pbe
| true | 15 |
agm005266151-pbe-420
| 420 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.2635211,
7.94080484,
0.06007772
],
[
-3.2635211,
7.94080484,
0.06007772
],
[
0,
4.43952414,
6.17583725
]
] |
agm005266151
|
[
[
1.63176055,
3.97040242,
0.03003886
],
[
-1.63176055,
6.19016449,
3.117957485
],
[
0.7756026481936531,
4.154205833381505,
2.758502218101737
],
[
0.7756026481936535,
13.947165916618495,
0.4495718468982626
],
[
-0.7756026481936535,
16.166927986618493,
3.5374904718982627
],
[
-0.7756026481936531,
6.373967903381505,
5.846420843101737
],
[
-2.4816511532506964,
11.512383196012376,
4.134001870261526
],
[
-2.481651153250696,
11.028512693987622,
5.249909444738474
],
[
2.481651153250696,
8.808750623987624,
2.1619908197384743
],
[
2.4816511532506964,
9.292621126012376,
1.046083245261526
],
[
-1.8470757929611963,
11.401657192659046,
1.9379719659125516
],
[
-1.8470757929611958,
6.699714557340953,
1.2701020990874483
],
[
1.8470757929611958,
8.919476627340954,
4.3580207240874484
],
[
1.8470757929611963,
13.621419262659046,
5.025890590912552
],
[
0.19671591404892008,
5.251902274953316,
2.54176794590857
],
[
0.1967159140489203,
12.849469475046684,
0.66630611909143
],
[
-0.1967159140489203,
15.069231545046684,
3.75422474409143
],
[
-0.19671591404892008,
7.471664344953317,
5.62968657090857
],
[
-0.8071336794646788,
14.826642302859202,
6.076316051249217
],
[
-0.8071336794646791,
7.714253587140797,
3.307595263750783
],
[
0.8071336794646791,
5.494491517140797,
0.21967663875078308
],
[
0.8071336794646788,
12.606880232859204,
2.988397426249217
]
] |
[{"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
] |
[
[
0.48918129,
0,
0
],
[
0,
-0.81007049,
0.32712275
],
[
0,
0.32712273,
-1.08537537
]
] | -146.98203 | -158.50203 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00110697,
0.00105555,
-0.00257667
],
[
0.00110697,
-0.00105555,
0.00257667
],
[
-0.00110697,
-0.00105555,
0.00257667
],
[
-0.00110697,
0.00105555,
-0.00257667
],
[
0.00225962,
-0.00319156,
0.02646693
],
[
0.00225962,
0.00319156,
-0.02646693
],
[
-0.00225962,
0.00319156,
-0.02646693
],
[
-0.00225962,
-0.00319156,
0.02646693
],
[
-0.00894375,
-0.00064878,
0.00070052
],
[
-0.00894375,
0.00064878,
-0.00070052
],
[
0.00894375,
0.00064878,
-0.00070052
],
[
0.00894375,
-0.00064878,
0.00070052
],
[
-0.00436733,
0.00469433,
-0.00738738
],
[
-0.00436733,
-0.00469433,
0.00738738
],
[
0.00436733,
-0.00469433,
0.00738738
],
[
0.00436733,
0.00469433,
-0.00738738
],
[
0.02633553,
-0.00071952,
-0.00594308
],
[
0.02633553,
0.00071952,
0.00594308
],
[
-0.02633553,
0.00071952,
0.00594308
],
[
-0.02633553,
-0.00071952,
-0.00594308
]
] |
pbe
| true | 15 |
agm005266151-pbe-421
| 421 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26317788,
7.9425435,
0.06112333
],
[
-3.26317788,
7.9425435,
0.06112333
],
[
0,
4.44130495,
6.17642482
]
] |
agm005266151
|
[
[
1.63158894,
3.97127175,
0.030561665
],
[
-1.63158894,
6.191924225,
3.118774075
],
[
0.7753262674165163,
4.155305654920105,
2.759049070876629
],
[
0.7753262674165162,
13.950433820079896,
0.4514099991233713
],
[
-0.7753262674165162,
16.171086295079895,
3.539622409123371
],
[
-0.7753262674165163,
6.375958129920106,
5.847261480876629
],
[
-2.4816173112437436,
11.515472937514087,
4.13537512501714
],
[
-2.481617311243744,
11.031571487485913,
5.2515087649828605
],
[
2.481617311243744,
8.810919012485911,
2.16329635498286
],
[
2.4816173112437436,
9.294820462514087,
1.04716271501714
],
[
-1.8471708845375363,
11.404194610110004,
1.9393053737300723
],
[
-1.8471708845375365,
6.701544864889997,
1.271153696269928
],
[
1.8471708845375365,
8.922197339889998,
4.359366106269928
],
[
1.8471708845375363,
13.624847085110003,
5.0275177837300715
],
[
0.19658479976887677,
5.253234767999777,
2.541998545106663
],
[
0.196584799768877,
12.852504707000223,
0.6684605248933374
],
[
-0.196584799768877,
15.073157182000223,
3.756672934893338
],
[
-0.19658479976887677,
7.473887242999777,
5.630210955106663
],
[
-0.8062267019287248,
14.83137736595461,
6.07867973162123
],
[
-0.8062267019287249,
7.715667059045389,
3.30820415837877
],
[
0.8062267019287249,
5.495014584045389,
0.21999174837877003
],
[
0.8062267019287248,
12.61072489095461,
2.9904673216212303
]
] |
[{"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
] |
[
[
0.3333466,
0,
0
],
[
0,
-1.12509317,
0.27055865
],
[
0,
0.27055866,
-1.26577377
]
] | -146.982059 | -158.502059 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00099915,
0.00822183,
-0.02065908
],
[
0.00099915,
-0.00822183,
0.02065908
],
[
-0.00099915,
-0.00822183,
0.02065908
],
[
-0.00099915,
0.00822183,
-0.02065908
],
[
0.00245274,
-0.01406057,
0.05131498
],
[
0.00245274,
0.01406057,
-0.05131498
],
[
-0.00245274,
0.01406057,
-0.05131498
],
[
-0.00245274,
-0.01406057,
0.05131498
],
[
-0.01422328,
0.00459749,
0.01053394
],
[
-0.01422328,
-0.00459749,
-0.01053394
],
[
0.01422328,
-0.00459749,
-0.01053394
],
[
0.01422328,
0.00459749,
0.01053394
],
[
0.00082141,
-0.00593652,
-0.00418331
],
[
0.00082141,
0.00593652,
0.00418331
],
[
-0.00082141,
0.00593652,
0.00418331
],
[
-0.00082141,
-0.00593652,
-0.00418331
],
[
0.02557938,
-0.00072556,
-0.00567423
],
[
0.02557938,
0.00072556,
0.00567423
],
[
-0.02557938,
0.00072556,
0.00567423
],
[
-0.02557938,
-0.00072556,
-0.00567423
]
] |
pbe
| true | 15 |
agm005266151-pbe-422
| 422 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26288779,
7.94387009,
0.06223631
],
[
-3.26288779,
7.94387009,
0.06223631
],
[
0,
4.44290998,
6.17672051
]
] |
agm005266151
|
[
[
1.631443895,
3.971935045,
0.031118155
],
[
-1.631443895,
6.193390035,
3.11947841
],
[
0.7750711294527735,
4.1562560037629215,
2.7593879092695905
],
[
0.7750711294527739,
13.952939166237078,
0.45344496573040954
],
[
-0.7750711294527739,
16.174394156237078,
3.5418052207304096
],
[
-0.7750711294527735,
6.37771099376292,
5.84774816426959
],
[
-2.4816077766293914,
11.517934394635098,
4.136872753335598
],
[
-2.481607776629392,
11.0341707553649,
5.252680631664402
],
[
2.481607776629392,
8.812715765364901,
2.164320376664403
],
[
2.4816077766293914,
9.296479404635098,
1.0485124983355976
],
[
-1.8473569457372403,
11.406182437489221,
1.9406890253321682
],
[
-1.8473569457372405,
6.703012732510779,
1.272143849667832
],
[
1.8473569457372405,
8.92446772251078,
4.360504104667832
],
[
1.8473569457372403,
13.627637427489221,
5.029049280332168
],
[
0.19646297662105028,
5.254291821485224,
2.542129140153823
],
[
0.19646297662105017,
12.854903348514773,
0.6707037348461771
],
[
-0.19646297662105017,
15.076358338514773,
3.7590639898461773
],
[
-0.19646297662105028,
7.475746811485224,
5.630489395153822
],
[
-0.805229381347063,
14.835378470873472,
6.080814340159959
],
[
-0.8052293813470635,
7.716726679126527,
3.3087390448400416
],
[
0.8052293813470635,
5.495271689126527,
0.2203787898400414
],
[
0.805229381347063,
12.613923480873472,
2.9924540851599586
]
] |
[{"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
] |
[
[
0.26072529,
0,
0
],
[
0,
-1.16657841,
0.07259534
],
[
0,
0.0725954,
-0.89003134
]
] | -146.982162 | -158.502162 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00016671,
0.01029698,
-0.02541751
],
[
0.00016671,
-0.01029698,
0.02541751
],
[
-0.00016671,
-0.01029698,
0.02541751
],
[
-0.00016671,
0.01029698,
-0.02541751
],
[
0.0026228,
-0.00105852,
0.02082478
],
[
0.0026228,
0.00105852,
-0.02082478
],
[
-0.0026228,
0.00105852,
-0.02082478
],
[
-0.0026228,
-0.00105852,
0.02082478
],
[
-0.01589978,
0.00621153,
0.01531859
],
[
-0.01589978,
-0.00621153,
-0.01531859
],
[
0.01589978,
-0.00621153,
-0.01531859
],
[
0.01589978,
0.00621153,
0.01531859
],
[
0.00298983,
-0.01092266,
-0.00259709
],
[
0.00298983,
0.01092266,
0.00259709
],
[
-0.00298983,
0.01092266,
0.00259709
],
[
-0.00298983,
-0.01092266,
-0.00259709
],
[
0.02444012,
-0.00092216,
-0.00520087
],
[
0.02444012,
0.00092216,
0.00520087
],
[
-0.02444012,
0.00092216,
0.00520087
],
[
-0.02444012,
-0.00092216,
-0.00520087
]
] |
pbe
| true | 15 |
agm005266151-pbe-423
| 423 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26254673,
7.94542981,
0.06354488
],
[
-3.26254673,
7.94542981,
0.06354488
],
[
0,
4.44479706,
6.17706815
]
] |
agm005266151
|
[
[
1.631273365,
3.972714905,
0.03177244
],
[
-1.631273365,
6.195113435,
3.1203065150000002
],
[
0.7747711966768427,
4.157373455522398,
2.759786300954146
],
[
0.7747711966768427,
13.955884694477602,
0.45583753404585414
],
[
-0.7747711966768427,
16.178283224477603,
3.544371609045854
],
[
-0.7747711966768427,
6.379771985522399,
5.848320375954146
],
[
-2.481596563445743,
11.520828321513353,
4.138633502208958
],
[
-2.4815965634457426,
11.03722688848665,
5.254058482791042
],
[
2.4815965634457426,
8.814828358486649,
2.1655244077910414
],
[
2.481596563445743,
9.298429791513353,
1.0500994272089585
],
[
-1.8475757108845126,
11.40851959364675,
1.9423157669975915
],
[
-1.8475757108845126,
6.70473855635325,
1.2733080680024087
],
[
1.8475757108845126,
8.92713708635325,
4.361842143002409
],
[
1.8475757108845126,
13.630918123646751,
5.030849841997591
],
[
0.19631976917073946,
5.25553458264236,
2.5422826881210328
],
[
0.19631976917073946,
12.857723567357642,
0.6733411468789673
],
[
-0.19631976917073946,
15.080122097357641,
3.7618752218789675
],
[
-0.19631976917073946,
7.477933112642361,
5.630816763121033
],
[
-0.8040568927657439,
14.840083055985712,
6.083324235257762
],
[
-0.8040568927657438,
7.717972154014288,
3.309367749742239
],
[
0.8040568927657438,
5.4955736240142885,
0.2208336747422388
],
[
0.8040568927657439,
12.617684525985712,
2.994790160257761
]
] |
[{"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
] |
[
[
0.16166929,
0,
0
],
[
0,
-1.23042552,
-0.15987144
],
[
0,
-0.15987146,
-0.4585691
]
] | -146.982236 | -158.502236 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.000756,
0.01270879,
-0.03105379
],
[
-0.000756,
-0.01270879,
0.03105379
],
[
0.000756,
-0.01270879,
0.03105379
],
[
0.000756,
0.01270879,
-0.03105379
],
[
0.00283727,
0.01426142,
-0.01520745
],
[
0.00283727,
-0.01426142,
0.01520745
],
[
-0.00283727,
-0.01426142,
0.01520745
],
[
-0.00283727,
0.01426142,
-0.01520745
],
[
-0.01785545,
0.00805447,
0.02116396
],
[
-0.01785545,
-0.00805447,
-0.02116396
],
[
0.01785545,
-0.00805447,
-0.02116396
],
[
0.01785545,
0.00805447,
0.02116396
],
[
0.00565633,
-0.01682356,
-0.00071952
],
[
0.00565633,
0.01682356,
0.00071952
],
[
-0.00565633,
0.01682356,
0.00071952
],
[
-0.00565633,
-0.01682356,
-0.00071952
],
[
0.02332463,
-0.00143214,
-0.00460897
],
[
0.02332463,
0.00143214,
0.00460897
],
[
-0.02332463,
0.00143214,
0.00460897
],
[
-0.02332463,
-0.00143214,
-0.00460897
]
] |
pbe
| true | 15 |
agm005266151-pbe-424
| 424 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.2618646,
7.94854924,
0.06616202
],
[
-3.2618646,
7.94854924,
0.06616202
],
[
0,
4.44857122,
6.17776344
]
] |
agm005266151
|
[
[
1.6309323,
3.97427462,
0.03308101
],
[
-1.6309323,
6.19856023,
3.12196273
],
[
0.77417143344369,
4.159607943222023,
2.7605829219622438
],
[
0.7741714334436898,
13.961776146777977,
0.46062283803775617
],
[
-0.7741714334436898,
16.186061756777978,
3.5495045580377558
],
[
-0.77417143344369,
6.383893553222024,
5.849464641962244
],
[
-2.4815740064226484,
11.526616406226896,
4.142155051192164
],
[
-2.4815740064226475,
11.043338903773103,
5.256814148807835
],
[
2.4815740064226475,
8.819053293773104,
2.167932428807835
],
[
2.4815740064226484,
9.302330796226897,
1.0532733311921647
],
[
-1.8480130750369979,
11.413193479532847,
1.94556915926678
],
[
-1.8480130750369979,
6.708190610467153,
1.2756366007332198
],
[
1.8480130750369979,
8.932476220467153,
4.36451832073322
],
[
1.8480130750369979,
13.637479089532848,
5.03445087926678
],
[
0.19603336537497595,
5.258019676017386,
2.542589860869444
],
[
0.19603336537497595,
12.863364413982614,
0.6786158991305555
],
[
-0.19603336537497595,
15.087650023982613,
3.7674976191305554
],
[
-0.19603336537497595,
7.482305286017385,
5.6314715808694435
],
[
-0.8017124326768084,
14.849492971780961,
6.088344357218762
],
[
-0.8017124326768083,
7.72046233821904,
3.310624842781237
],
[
0.8017124326768083,
5.49617672821904,
0.22174312278123717
],
[
0.8017124326768084,
12.62520736178096,
2.9994626372187625
]
] |
[{"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
] |
[
[
-0.0252636,
0,
0
],
[
0,
-1.34195859,
-0.62577893
],
[
0,
-0.625779,
0.41789927
]
] | -146.982252 | -158.502252 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00263405,
0.0175199,
-0.04235204
],
[
-0.00263405,
-0.0175199,
0.04235204
],
[
0.00263405,
-0.0175199,
0.04235204
],
[
0.00263405,
0.0175199,
-0.04235204
],
[
0.0032403,
0.04502543,
-0.08751514
],
[
0.0032403,
-0.04502543,
0.08751514
],
[
-0.0032403,
-0.04502543,
0.08751514
],
[
-0.0032403,
0.04502543,
-0.08751514
],
[
-0.02168158,
0.01187804,
0.03268111
],
[
-0.02168158,
-0.01187804,
-0.03268111
],
[
0.02168158,
-0.01187804,
-0.03268111
],
[
0.02168158,
0.01187804,
0.03268111
],
[
0.01091584,
-0.02852613,
0.00306735
],
[
0.01091584,
0.02852613,
-0.00306735
],
[
-0.01091584,
0.02852613,
-0.00306735
],
[
-0.01091584,
-0.02852613,
0.00306735
],
[
0.0209135,
-0.00213721,
-0.00341649
],
[
0.0209135,
0.00213721,
0.00341649
],
[
-0.0209135,
0.00213721,
0.00341649
],
[
-0.0209135,
-0.00213721,
-0.00341649
]
] |
pbe
| true | 15 |
agm005266151-pbe-425
| 425 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26216041,
7.94719646,
0.06502707
],
[
-3.26216041,
7.94719646,
0.06502707
],
[
0,
4.44693451,
6.17746192
]
] |
agm005266151
|
[
[
1.631080205,
3.97359823,
0.032513535
],
[
-1.631080205,
6.1970654849999995,
3.121244495
],
[
0.7744315313909276,
4.158638865396533,
2.7602374062798924
],
[
0.7744315313909276,
13.959221309603466,
0.4585476937201074
],
[
-0.7744315313909276,
16.182688564603467,
3.5472786537201078
],
[
-0.7744315313909276,
6.382106120396532,
5.848968366279892
],
[
-2.4815837513151306,
11.52410636938096,
4.140627869934377
],
[
-2.4815837513151306,
11.04068831561904,
5.2556191500656215
],
[
2.4815837513151306,
8.81722106061904,
2.166888190065623
],
[
2.4815837513151306,
9.30063911438096,
1.0518969099343773
],
[
-1.847823362097056,
11.411166587120755,
1.9441582797549755
],
[
-1.8478233620970559,
6.706693587879244,
1.2746268202450242
],
[
1.8478233620970559,
8.930160842879244,
4.363357780245025
],
[
1.847823362097056,
13.634633842120754,
5.032889239754976
],
[
0.19615758742418787,
5.256941859183696,
2.5424566527700705
],
[
0.19615758742418787,
12.860918315816303,
0.6763284472299296
],
[
-0.19615758742418787,
15.084385570816302,
3.7650594072299297
],
[
-0.19615758742418787,
7.480409114183696,
5.63118761277007
],
[
-0.8027292397322847,
14.845412421786872,
6.086167402785574
],
[
-0.8027292397322849,
7.719382263213129,
3.310079617214425
],
[
0.8027292397322849,
5.495915008213128,
0.2213486572144253
],
[
0.8027292397322847,
12.62194516678687,
2.997436442785575
]
] |
[{"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
] |
[
[
0.06018374,
0,
0
],
[
0,
-1.28524747,
-0.41985216
],
[
0,
-0.41985224,
0.04123109
]
] | -146.982267 | -158.502267 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00168715,
0.01556631,
-0.03748896
],
[
-0.00168715,
-0.01556631,
0.03748896
],
[
0.00168715,
-0.01556631,
0.03748896
],
[
0.00168715,
0.01556631,
-0.03748896
],
[
0.00309788,
0.03166642,
-0.05622548
],
[
0.00309788,
-0.03166642,
0.05622548
],
[
-0.00309788,
-0.03166642,
0.05622548
],
[
-0.00309788,
0.03166642,
-0.05622548
],
[
-0.02015557,
0.01020699,
0.02772281
],
[
-0.02015557,
-0.01020699,
-0.02772281
],
[
0.02015557,
-0.01020699,
-0.02772281
],
[
0.02015557,
0.01020699,
0.02772281
],
[
0.00855573,
-0.02346618,
0.00147796
],
[
0.00855573,
0.02346618,
-0.00147796
],
[
-0.00855573,
0.02346618,
-0.00147796
],
[
-0.00855573,
-0.02346618,
0.00147796
],
[
0.02228948,
-0.00187709,
-0.00386242
],
[
0.02228948,
0.00187709,
0.00386242
],
[
-0.02228948,
0.00187709,
0.00386242
],
[
-0.02228948,
-0.00187709,
-0.00386242
]
] |
pbe
| true | 15 |
agm005266151-pbe-426
| 426 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26191114,
7.94812981,
0.06592668
],
[
-3.26191114,
7.94812981,
0.06592668
],
[
0,
4.44815423,
6.17768527
]
] |
agm005266151
|
[
[
1.63095557,
3.974064905,
0.03296334
],
[
-1.63095557,
6.198142020000001,
3.1218059749999996
],
[
0.7742053452513624,
4.15936430326621,
2.760405340359993
],
[
0.7742053452513624,
13.960972431733788,
0.4602906546400067
],
[
-0.7742053452513624,
16.18504954673379,
3.549133289640007
],
[
-0.7742053452513624,
6.3834414182662105,
5.849247975359993
],
[
-2.4815711184676394,
11.52597068032198,
4.141696033356607
],
[
-2.4815711184676394,
11.042520284678021,
5.2566852316433925
],
[
2.4815711184676394,
8.818443169678023,
2.1678425966433936
],
[
2.4815711184676394,
9.30189356532198,
1.0528533983566064
],
[
-1.848038268038578,
11.412587197838334,
1.9453325390630753
],
[
-1.8480382680385776,
6.707749537161664,
1.2753634559369245
],
[
1.8480382680385776,
8.931826652161664,
4.364206090936924
],
[
1.848038268038578,
13.636664312838334,
5.034175174063075
],
[
0.19607240219472366,
5.257634945955807,
2.5425281565071867
],
[
0.19607240219472377,
12.862701789044193,
0.6781678384928131
],
[
-0.19607240219472377,
15.086778904044195,
3.7670104734928134
],
[
-0.19607240219472366,
7.481712060955807,
5.6313707915071864
],
[
-0.8018032663571146,
14.8484284095489,
6.087893081862476
],
[
-0.8018032663571147,
7.720062555451099,
3.3104881831375224
],
[
0.8018032663571147,
5.495985440451099,
0.22164554813752307
],
[
0.8018032663571146,
12.6243512945489,
2.9990504468624763
]
] |
[{"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
] |
[
[
0.08885355,
0,
0
],
[
0,
-1.12590995,
-0.44988485
],
[
0,
-0.44988493,
0.23244192
]
] | -146.982354 | -158.502354 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.002218,
0.01415633,
-0.03619424
],
[
-0.002218,
-0.01415633,
0.03619424
],
[
0.002218,
-0.01415633,
0.03619424
],
[
0.002218,
0.01415633,
-0.03619424
],
[
0.00318306,
0.02960694,
-0.0521561
],
[
0.00318306,
-0.02960694,
0.0521561
],
[
-0.00318306,
-0.02960694,
0.0521561
],
[
-0.00318306,
0.02960694,
-0.0521561
],
[
-0.01749298,
0.0080555,
0.02509357
],
[
-0.01749298,
-0.0080555,
-0.02509357
],
[
0.01749298,
-0.0080555,
-0.02509357
],
[
0.01749298,
0.0080555,
0.02509357
],
[
0.00601432,
-0.01962733,
0.00077984
],
[
0.00601432,
0.01962733,
-0.00077984
],
[
-0.00601432,
0.01962733,
-0.00077984
],
[
-0.00601432,
-0.01962733,
0.00077984
],
[
0.02089547,
-0.00214588,
-0.00348771
],
[
0.02089547,
0.00214588,
0.00348771
],
[
-0.02089547,
0.00214588,
0.00348771
],
[
-0.02089547,
-0.00214588,
-0.00348771
]
] |
pbe
| true | 15 |
agm005266151-pbe-427
| 427 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26116331,
7.95092985,
0.06862551
],
[
-3.26116331,
7.95092985,
0.06862551
],
[
0,
4.45181337,
6.17835533
]
] |
agm005266151
|
[
[
1.630581655,
3.975464925,
0.034312755
],
[
-1.630581655,
6.20137161,
3.12349042
],
[
0.7735268700170175,
4.161540419542444,
2.760909147196422
],
[
0.7735268700170175,
13.966225965457555,
0.465519537803578
],
[
-0.7735268700170175,
16.192132650457555,
3.554697202803578
],
[
-0.7735268700170175,
6.387447104542443,
5.850086812196422
],
[
-2.4815331076250517,
11.531563501225586,
4.1449005049598
],
[
-2.4815331076250513,
11.048016253774414,
5.2598835100402
],
[
2.4815331076250513,
8.822109568774414,
2.1707058450402
],
[
2.4815331076250517,
9.305656816225586,
1.0557228399597998
],
[
-1.8486827131951726,
11.416848784840544,
1.9488551612718668
],
[
-1.8486827131951733,
6.710917600159454,
1.2775735237281332
],
[
1.8486827131951733,
8.936824285159455,
4.366751188728133
],
[
1.8486827131951726,
13.642755469840544,
5.038032826271866
],
[
0.19581697490018024,
5.259713618131156,
2.5427425532611156
],
[
0.19581697490018035,
12.868052766868844,
0.6836861317388838
],
[
-0.19581697490018035,
15.093959451868844,
3.772863796738884
],
[
-0.19581697490018024,
7.485620303131155,
5.631920218261116
],
[
-0.7990260363844397,
14.857477391169041,
6.093070580070061
],
[
-0.7990260363844398,
7.722102363830958,
3.311713434929938
],
[
0.7990260363844398,
5.496195678830958,
0.22253576992993812
],
[
0.7990260363844397,
12.631570706169041,
3.0038929150700615
]
] |
[{"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
] |
[
[
0.1749817,
0,
0
],
[
0,
-0.62685575,
-0.52229281
],
[
0,
-0.52229293,
0.82612885
]
] | -146.982562 | -158.502562 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00349121,
0.0103637,
-0.03184846
],
[
-0.00349121,
-0.0103637,
0.03184846
],
[
0.00349121,
-0.0103637,
0.03184846
],
[
0.00349121,
0.0103637,
-0.03184846
],
[
0.00363883,
0.02335425,
-0.04010076
],
[
0.00363883,
-0.02335425,
0.04010076
],
[
-0.00363883,
-0.02335425,
0.04010076
],
[
-0.00363883,
0.02335425,
-0.04010076
],
[
-0.00956142,
0.001517,
0.01699799
],
[
-0.00956142,
-0.001517,
-0.01699799
],
[
0.00956142,
-0.001517,
-0.01699799
],
[
0.00956142,
0.001517,
0.01699799
],
[
-0.00195452,
-0.00769749,
-0.00115425
],
[
-0.00195452,
0.00769749,
0.00115425
],
[
0.00195452,
0.00769749,
0.00115425
],
[
0.00195452,
-0.00769749,
-0.00115425
],
[
0.0180638,
-0.00298532,
-0.00190292
],
[
0.0180638,
0.00298532,
0.00190292
],
[
-0.0180638,
0.00298532,
0.00190292
],
[
-0.0180638,
-0.00298532,
-0.00190292
]
] |
pbe
| true | 15 |
agm005266151-pbe-428
| 428 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25966767,
7.95652992,
0.07402317
],
[
-3.25966767,
7.95652992,
0.07402317
],
[
0,
4.45913165,
6.17969544
]
] |
agm005266151
|
[
[
1.629833835,
3.97826496,
0.037011585
],
[
-1.629833835,
6.2078307850000005,
3.126859305
],
[
0.7721703528025073,
4.165891416684575,
2.761916754247067
],
[
0.7721703528025077,
13.976734248315426,
0.4759773057529332
],
[
-0.7721703528025077,
16.206300073315425,
3.565825025752933
],
[
-0.7721703528025073,
6.395457241684575,
5.851764474247067
],
[
-2.4814565336681254,
11.542749127150339,
4.151309761059905
],
[
-2.481456533668125,
11.059008187849663,
5.266279738940095
],
[
2.481456533668125,
8.829442362849663,
2.176432018940095
],
[
2.4814565336681254,
9.313183302150339,
1.0614620410599052
],
[
-1.8499706341886213,
11.42537143338996,
1.9559000613967956
],
[
-1.8499706341886217,
6.71725423161004,
1.281993998603204
],
[
1.8499706341886217,
8.94682005661004,
4.371841718603204
],
[
1.8499706341886213,
13.65493725838996,
5.045747781396796
],
[
0.19530628071239675,
5.263868295779802,
2.543171147773118
],
[
0.19530628071239642,
12.8787573692202,
0.6947229122268819
],
[
-0.19530628071239642,
15.108323194220198,
3.784570632226882
],
[
-0.19530628071239675,
7.493434120779802,
5.633018867773118
],
[
-0.793473943456469,
14.875579280831165,
6.1034274359650595
],
[
-0.793473943456469,
7.726178034168832,
3.31416206403494
],
[
0.793473943456469,
5.496612209168832,
0.22431434403494008
],
[
0.793473943456469,
12.646013455831167,
3.0135797159650597
]
] |
[{"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
] |
[
[
0.3420115,
0,
0
],
[
0,
0.34583848,
-0.68608703
],
[
0,
-0.68608701,
1.97937509
]
] | -146.982745 | -158.502745 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00595059,
0.00255912,
-0.02372423
],
[
-0.00595059,
-0.00255912,
0.02372423
],
[
0.00595059,
-0.00255912,
0.02372423
],
[
0.00595059,
0.00255912,
-0.02372423
],
[
0.00448478,
0.01096966,
-0.01601721
],
[
0.00448478,
-0.01096966,
0.01601721
],
[
-0.00448478,
-0.01096966,
0.01601721
],
[
-0.00448478,
0.01096966,
-0.01601721
],
[
0.00581191,
-0.01153564,
0.0015077
],
[
0.00581191,
0.01153564,
-0.0015077
],
[
-0.00581191,
0.01153564,
-0.0015077
],
[
-0.00581191,
-0.01153564,
0.0015077
],
[
-0.0176918,
0.01568335,
-0.00503504
],
[
-0.0176918,
-0.01568335,
0.00503504
],
[
0.0176918,
-0.01568335,
0.00503504
],
[
0.0176918,
0.01568335,
-0.00503504
],
[
0.01204504,
-0.00468198,
0.00100642
],
[
0.01204504,
0.00468198,
-0.00100642
],
[
-0.01204504,
0.00468198,
-0.00100642
],
[
-0.01204504,
-0.00468198,
0.00100642
]
] |
pbe
| true | 15 |
agm005266151-pbe-429
| 429 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.52923578,
7.16246064,
-0.0308653
],
[
-3.52923578,
7.16246064,
-0.0308653
],
[
0,
3.94320259,
6.08987549
]
] |
agm005266151
|
[
[
1.76461789,
3.58123032,
-0.01543265
],
[
-1.76461789,
5.552831615,
3.0295050949999998
],
[
0.7904318911386087,
3.748039229773356,
2.6806083241399974
],
[
0.7904318911386086,
12.548483345226645,
0.3025988208600028
],
[
-0.7904318911386086,
14.520084640226644,
3.347536565860003
],
[
-0.7904318911386087,
5.7196405247733555,
5.725546069139997
],
[
-2.71279151537547,
10.354503463103374,
3.9770596629663864
],
[
-2.7127915153754705,
9.885221701896626,
5.096022972033613
],
[
2.7127915153754705,
7.913620406896625,
2.051085227033613
],
[
2.71279151537547,
8.382902168103374,
0.9321219179663868
],
[
-2.015663054031098,
10.257026856013109,
1.8050964548752284
],
[
-2.015663054031098,
6.03949571898689,
1.1781106901247713
],
[
2.015663054031098,
8.01109701398689,
4.22304843512477
],
[
2.015663054031098,
12.22862815101311,
4.850034199875228
],
[
0.11888904808963996,
4.781069808839817,
2.4164713298226714
],
[
0.11888904808963963,
11.515452766160182,
0.5667358151773288
],
[
-0.11888904808963963,
13.487054061160183,
3.611673560177329
],
[
-0.11888904808963996,
6.752671103839816,
5.4614090748226705
],
[
-1.0745738048062528,
13.098078918002823,
5.837260656873163
],
[
-1.0745738048062528,
7.141646246997176,
3.235821978126837
],
[
1.0745738048062528,
5.170044951997176,
0.1908842331268375
],
[
1.0745738048062528,
11.126477623002822,
2.7923229118731623
]
] |
[{"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
] |
[
[
0.44160677,
0,
0
],
[
0,
-0.2548691,
-0.13873567
],
[
0,
-0.13873562,
2.03906513
]
] | -146.826471 | -158.346471 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.04422443,
-0.0163238,
0.00687718
],
[
0.04422443,
0.0163238,
-0.00687718
],
[
-0.04422443,
0.0163238,
-0.00687718
],
[
-0.04422443,
-0.0163238,
0.00687718
],
[
-0.00694684,
0.13143492,
-0.2567978
],
[
-0.00694684,
-0.13143492,
0.2567978
],
[
0.00694684,
-0.13143492,
0.2567978
],
[
0.00694684,
0.13143492,
-0.2567978
],
[
0.02957585,
-0.01099898,
-0.00734184
],
[
0.02957585,
0.01099898,
0.00734184
],
[
-0.02957585,
0.01099898,
0.00734184
],
[
-0.02957585,
-0.01099898,
-0.00734184
],
[
0.01359019,
-0.00747954,
0.07939144
],
[
0.01359019,
0.00747954,
-0.07939144
],
[
-0.01359019,
0.00747954,
-0.07939144
],
[
-0.01359019,
-0.00747954,
0.07939144
],
[
0.02724556,
0.0295207,
0.00355615
],
[
0.02724556,
-0.0295207,
-0.00355615
],
[
-0.02724556,
-0.0295207,
-0.00355615
],
[
-0.02724556,
0.0295207,
0.00355615
]
] |
pbe
| true | 15 |
agm005266151-pbe-43
| 43 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25955795,
7.95737153,
0.07433969
],
[
-3.25955795,
7.95737153,
0.07433969
],
[
0,
4.45984233,
6.18042916
]
] |
agm005266151
|
[
[
1.629778975,
3.978685765,
0.037169845
],
[
-1.629778975,
6.20860693,
3.1273844250000002
],
[
0.771983078719083,
4.16640360142072,
2.7620370071553118
],
[
0.7719830787190829,
13.978260623579281,
0.47685695284468843
],
[
-0.7719830787190829,
16.20818178857928,
3.5670715328446887
],
[
-0.771983078719083,
6.396324766420721,
5.852251587155312
],
[
-2.4814694258803516,
11.544240192423661,
4.151987526557878
],
[
-2.4814694258803516,
11.060266362576337,
5.267335593442121
],
[
2.4814694258803516,
8.830345197576337,
2.1771210134421217
],
[
2.4814694258803516,
9.314319027423661,
1.0617729465578782
],
[
-1.850124505699569,
11.426478942116269,
1.9565088099958179
],
[
-1.850124505699569,
6.718185282883731,
1.282385150004182
],
[
1.850124505699569,
8.948106447883731,
4.372599730004182
],
[
1.850124505699569,
13.65640010711627,
5.046723389995818
],
[
0.19512701534758858,
5.264480730750376,
2.543277061797915
],
[
0.19512701534758836,
12.880183494249623,
0.6956168982020847
],
[
-0.19512701534758836,
15.110104659249624,
3.785831478202085
],
[
-0.19512701534758858,
7.494401895750375,
5.6334916417979155
],
[
-0.7927418668838737,
14.87778099314493,
6.1047950920228224
],
[
-0.7927418668838735,
7.726725561855068,
3.314528027977177
],
[
0.7927418668838735,
5.496804396855069,
0.22431344797717712
],
[
0.7927418668838737,
12.64785982814493,
3.014580512022823
]
] |
[{"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
] |
[
[
0.20954938,
0,
0
],
[
0,
-0.00207144,
-0.42682555
],
[
0,
-0.42682559,
1.31926875
]
] | -146.982839 | -158.502839 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00770542,
0.00305136,
-0.01800885
],
[
-0.00770542,
-0.00305136,
0.01800885
],
[
0.00770542,
-0.00305136,
0.01800885
],
[
0.00770542,
0.00305136,
-0.01800885
],
[
0.00416868,
-0.00386166,
0.01739053
],
[
0.00416868,
0.00386166,
-0.01739053
],
[
-0.00416868,
0.00386166,
-0.01739053
],
[
-0.00416868,
-0.00386166,
0.01739053
],
[
0.00522041,
-0.0093224,
0.00002254
],
[
0.00522041,
0.0093224,
-0.00002254
],
[
-0.00522041,
0.0093224,
-0.00002254
],
[
-0.00522041,
-0.0093224,
0.00002254
],
[
-0.01525645,
0.01046892,
-0.00487261
],
[
-0.01525645,
-0.01046892,
0.00487261
],
[
0.01525645,
-0.01046892,
0.00487261
],
[
0.01525645,
0.01046892,
-0.00487261
],
[
0.01005065,
-0.00380594,
0.00106603
],
[
0.01005065,
0.00380594,
-0.00106603
],
[
-0.01005065,
0.00380594,
-0.00106603
],
[
-0.01005065,
-0.00380594,
0.00106603
]
] |
pbe
| true | 15 |
agm005266151-pbe-430
| 430 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25941515,
7.95846696,
0.07475167
],
[
-3.25941515,
7.95846696,
0.07475167
],
[
0,
4.46076734,
6.18138415
]
] |
agm005266151
|
[
[
1.629707575,
3.97923348,
0.037375835
],
[
-1.629707575,
6.20961715,
3.1280679100000004
],
[
0.7717393195027996,
4.1670700540170875,
2.762193459143431
],
[
0.7717393195027995,
13.980247535982912,
0.4780019558565691
],
[
-0.7717393195027995,
16.21063120598291,
3.568694030856569
],
[
-0.7717393195027996,
6.397453724017089,
5.852885534143431
],
[
-2.4814862011273506,
11.54618090868674,
4.152869723179286
],
[
-2.4814862011273506,
11.06190402131326,
5.268709841820714
],
[
2.4814862011273506,
8.83152035131326,
2.1780177668207137
],
[
2.4814862011273506,
9.31579723868674,
1.0621776481792866
],
[
-1.8503247725668697,
11.427920397088114,
1.9573011798933078
],
[
-1.8503247725668697,
6.719397192911885,
1.2828942351066925
],
[
1.8503247725668697,
8.949780862911886,
4.373586310106693
],
[
1.8503247725668697,
13.658304067088114,
5.047993254893308
],
[
0.19489379542061513,
5.26527785464033,
2.543414888787278
],
[
0.1948937954206147,
12.88203973535967,
0.6967805262127221
],
[
-0.1948937954206147,
15.11242340535967,
3.7874726012127224
],
[
-0.19489379542061513,
7.49566152464033,
5.634106963787278
],
[
-0.7917890576974491,
14.88064657991221,
6.106575156061942
],
[
-0.791789057697449,
7.727438350087791,
3.3150044089380577
],
[
0.791789057697449,
5.497054680087792,
0.22431233393805744
],
[
0.7917890576974491,
12.65026290991221,
3.0158830810619426
]
] |
[{"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
] |
[
[
0.08096081,
0,
0
],
[
0,
-0.39191423,
-0.08951694
],
[
0,
-0.08951697,
0.51532346
]
] | -146.982888 | -158.502888 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00988491,
0.00385878,
-0.01023621
],
[
-0.00988491,
-0.00385878,
0.01023621
],
[
0.00988491,
-0.00385878,
0.01023621
],
[
0.00988491,
0.00385878,
-0.01023621
],
[
0.00384545,
-0.02309549,
0.06086093
],
[
0.00384545,
0.02309549,
-0.06086093
],
[
-0.00384545,
0.02309549,
-0.06086093
],
[
-0.00384545,
-0.02309549,
0.06086093
],
[
0.00444179,
-0.00620386,
-0.00260216
],
[
0.00444179,
0.00620386,
0.00260216
],
[
-0.00444179,
0.00620386,
0.00260216
],
[
-0.00444179,
-0.00620386,
-0.00260216
],
[
-0.0125014,
0.00401414,
-0.00476451
],
[
-0.0125014,
-0.00401414,
0.00476451
],
[
0.0125014,
-0.00401414,
0.00476451
],
[
0.0125014,
0.00401414,
-0.00476451
],
[
0.00784252,
-0.00111006,
0.00136313
],
[
0.00784252,
0.00111006,
-0.00136313
],
[
-0.00784252,
0.00111006,
-0.00136313
],
[
-0.00784252,
-0.00111006,
0.00136313
]
] |
pbe
| true | 15 |
agm005266151-pbe-431
| 431 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25932609,
7.95909566,
0.07501309
],
[
-3.25932609,
7.95909566,
0.07501309
],
[
0,
4.46131506,
6.182206
]
] |
agm005266151
|
[
[
1.629663045,
3.97954783,
0.037506545
],
[
-1.629663045,
6.21020536,
3.1286095449999998
],
[
0.7715137098469422,
4.167474996193124,
2.7623013875783595
],
[
0.7715137098469422,
13.981373853806879,
0.47882779242164086
],
[
-0.7715137098469422,
16.212031383806877,
3.569930792421641
],
[
-0.7715137098469422,
6.398132526193124,
5.853404387578359
],
[
-2.481487006010195,
11.54719967201207,
4.153890633615444
],
[
-2.4814870060101946,
11.06296423798793,
5.269444546384555
],
[
2.4814870060101946,
8.83230670798793,
2.178341546384556
],
[
2.481487006010195,
9.31654214201207,
1.062787633615444
],
[
-1.8504510654737754,
11.428686909660804,
1.9578532861038274
],
[
-1.8504510654737751,
6.720161940339194,
1.2832758938961728
],
[
1.8504510654737751,
8.950819470339194,
4.374378893896172
],
[
1.8504510654737754,
13.659344439660805,
5.048956286103827
],
[
0.1946589810080721,
5.265756530210325,
2.5435290324989017
],
[
0.1946589810080721,
12.883092319789675,
0.6976001475010983
],
[
-0.1946589810080721,
15.113749849789675,
3.788703147501098
],
[
-0.1946589810080721,
7.496414060210326,
5.634632032498901
],
[
-0.7910674500452013,
14.882374645161917,
6.107946836097345
],
[
-0.791067450045201,
7.7277892648380835,
3.3153883439026552
],
[
0.791067450045201,
5.497131734838083,
0.2242853439026548
],
[
0.7910674500452013,
12.651717115161919,
3.0168438360973453
]
] |
[{"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
] |
[
[
-0.05222914,
0,
0
],
[
0,
-0.69143117,
-0.01970127
],
[
0,
-0.0197013,
0.18721004
]
] | -146.982968 | -158.502968 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00976843,
-0.0011782,
0.00458114
],
[
-0.00976843,
0.0011782,
-0.00458114
],
[
0.00976843,
0.0011782,
-0.00458114
],
[
0.00976843,
-0.0011782,
0.00458114
],
[
0.00332061,
-0.00580426,
0.01994599
],
[
0.00332061,
0.00580426,
-0.01994599
],
[
-0.00332061,
0.00580426,
-0.01994599
],
[
-0.00332061,
-0.00580426,
0.01994599
],
[
0.00138561,
-0.00167162,
-0.00143523
],
[
0.00138561,
0.00167162,
0.00143523
],
[
-0.00138561,
0.00167162,
0.00143523
],
[
-0.00138561,
-0.00167162,
-0.00143523
],
[
-0.00946136,
-0.00285854,
-0.00433096
],
[
-0.00946136,
0.00285854,
0.00433096
],
[
0.00946136,
0.00285854,
0.00433096
],
[
0.00946136,
-0.00285854,
-0.00433096
],
[
0.00594532,
0.0004619,
0.00144476
],
[
0.00594532,
-0.0004619,
-0.00144476
],
[
-0.00594532,
-0.0004619,
-0.00144476
],
[
-0.00594532,
0.0004619,
0.00144476
]
] |
pbe
| true | 15 |
agm005266151-pbe-432
| 432 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25927696,
7.95944255,
0.07515733
],
[
-3.25927696,
7.95944255,
0.07515733
],
[
0,
4.46161727,
6.18265947
]
] |
agm005266151
|
[
[
1.62963848,
3.979721275,
0.037578665
],
[
-1.62963848,
6.21052991,
3.1289084
],
[
0.7713892115441521,
4.167698327062617,
2.7623609583624282
],
[
0.7713892115441516,
13.981995407937385,
0.4792834366375721
],
[
-0.7713892115441516,
16.212804042937385,
3.5706131716375724
],
[
-0.7713892115441521,
6.398506962062617,
5.853690693362427
],
[
-2.481487506289496,
11.547761777256023,
4.154453948957292
],
[
-2.4814875062894957,
11.063549227743977,
5.269849916042709
],
[
2.4814875062894957,
8.832740592743978,
2.178520181042708
],
[
2.481487506289496,
9.316953142256024,
1.0631242139572916
],
[
-1.8505207551405967,
11.429109754998503,
1.958157909054657
],
[
-1.8505207551405967,
6.720583980001497,
1.2834864859453428
],
[
1.8505207551405967,
8.951392615001497,
4.374816220945342
],
[
1.8505207551405967,
13.659918389998502,
5.049487644054657
],
[
0.19452939128051683,
5.26602068410092,
2.5435920564137344
],
[
0.19452939128051705,
12.883673050899082,
0.698052338586265
],
[
-0.19452939128051705,
15.114481685899081,
3.7893820735862653
],
[
-0.19452939128051683,
7.49682931910092,
5.634921791413735
],
[
-0.7906693340299535,
14.883327987933779,
6.108703641072498
],
[
-0.7906693340299534,
7.727983017066222,
3.3156002239275018
],
[
0.7906693340299534,
5.4971743820662216,
0.22427048892750107
],
[
0.7906693340299535,
12.65251935293378,
3.017373906072499
]
] |
[{"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
] |
[
[
-0.11018925,
0,
0
],
[
0,
-0.8397698,
0.01746546
],
[
0,
0.01746547,
0.02648421
]
] | -146.982983 | -158.502983 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00973318,
-0.00383045,
0.01268589
],
[
-0.00973318,
0.00383045,
-0.01268589
],
[
0.00973318,
0.00383045,
-0.01268589
],
[
0.00973318,
-0.00383045,
0.01268589
],
[
0.00299774,
0.00385963,
-0.00290566
],
[
0.00299774,
-0.00385963,
0.00290566
],
[
-0.00299774,
-0.00385963,
0.00290566
],
[
-0.00299774,
0.00385963,
-0.00290566
],
[
-0.0004109,
0.00101764,
-0.0009856
],
[
-0.0004109,
-0.00101764,
0.0009856
],
[
0.0004109,
-0.00101764,
0.0009856
],
[
0.0004109,
0.00101764,
-0.0009856
],
[
-0.00790807,
-0.00672735,
-0.00403562
],
[
-0.00790807,
0.00672735,
0.00403562
],
[
0.00790807,
0.00672735,
0.00403562
],
[
0.00790807,
-0.00672735,
-0.00403562
],
[
0.00466022,
0.00163353,
0.00143698
],
[
0.00466022,
-0.00163353,
-0.00143698
],
[
-0.00466022,
-0.00163353,
-0.00143698
],
[
-0.00466022,
0.00163353,
0.00143698
]
] |
pbe
| true | 15 |
agm005266151-pbe-433
| 433 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25926976,
7.9594934,
0.07517847
],
[
-3.25926976,
7.9594934,
0.07517847
],
[
0,
4.46166156,
6.18272593
]
] |
agm005266151
|
[
[
1.62963488,
3.9797467,
0.037589235
],
[
-1.62963488,
6.2105774799999995,
3.1289522
],
[
0.7713709829868287,
4.167731020839932,
2.762369646834019
],
[
0.7713709829868289,
13.982086559160068,
0.4793502581659811
],
[
-0.7713709829868289,
16.212917339160068,
3.5707132231659817
],
[
-0.7713709829868287,
6.398561800839932,
5.853732611834019
],
[
-2.481487565246368,
11.547844180225358,
4.154536545616671
],
[
-2.4814875652463675,
11.06363495977464,
5.269909289383329
],
[
2.4814875652463675,
8.83280417977464,
2.178546324383329
],
[
2.481487565246368,
9.31701340022536,
1.0631735806166707
],
[
-1.8505310079811645,
11.429171728683073,
1.9582025436279136
],
[
-1.850531007981165,
6.720645851316928,
1.2835173613720863
],
[
1.850531007981165,
8.951476631316929,
4.374880326372086
],
[
1.8505310079811645,
13.660002508683071,
5.049565508627914
],
[
0.19451041630480637,
5.266059378690398,
2.5436012516949287
],
[
0.19451041630480637,
12.883758201309602,
0.6981186533050714
],
[
-0.19451041630480637,
15.114588981309602,
3.7894816183050715
],
[
-0.19451041630480637,
7.496890158690398,
5.634964216694929
],
[
-0.7906109412705731,
14.883467770007375,
6.1088145784561965
],
[
-0.7906109412705727,
7.728011369992625,
3.315631256543804
],
[
0.7906109412705727,
5.497180589992626,
0.2242682915438039
],
[
0.7906109412705731,
12.652636990007375,
3.0174516134561964
]
] |
[{"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
] |
[
[
-0.11434947,
0,
0
],
[
0,
-0.85788397,
0.0210316
],
[
0,
0.02103156,
0.01079156
]
] | -146.982983 | -158.502983 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00954327,
-0.00417967,
0.01391939
],
[
-0.00954327,
0.00417967,
-0.01391939
],
[
0.00954327,
0.00417967,
-0.01391939
],
[
0.00954327,
-0.00417967,
0.01391939
],
[
0.00301093,
0.0052716,
-0.00617411
],
[
0.00301093,
-0.0052716,
0.00617411
],
[
-0.00301093,
-0.0052716,
0.00617411
],
[
-0.00301093,
0.0052716,
-0.00617411
],
[
-0.00079799,
0.0012355,
-0.00077288
],
[
-0.00079799,
-0.0012355,
0.00077288
],
[
0.00079799,
-0.0012355,
0.00077288
],
[
0.00079799,
0.0012355,
-0.00077288
],
[
-0.00771783,
-0.00737859,
-0.00427169
],
[
-0.00771783,
0.00737859,
0.00427169
],
[
0.00771783,
0.00737859,
0.00427169
],
[
0.00771783,
-0.00737859,
-0.00427169
],
[
0.00580329,
0.00230504,
0.0017815
],
[
0.00580329,
-0.00230504,
-0.0017815
],
[
-0.00580329,
-0.00230504,
-0.0017815
],
[
-0.00580329,
0.00230504,
0.0017815
]
] |
pbe
| true | 15 |
agm005266151-pbe-434
| 434 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25925535,
7.95959509,
0.07522075
],
[
-3.25925535,
7.95959509,
0.07522075
],
[
0,
4.46175015,
6.18285887
]
] |
agm005266151
|
[
[
1.629627675,
3.979797545,
0.037610375
],
[
-1.629627675,
6.21067262,
3.1290398099999996
],
[
0.7713344911320554,
4.167796578463481,
2.76238715562166
],
[
0.7713344911320559,
13.982268676536519,
0.47948377937833997
],
[
-0.7713344911320559,
16.21314375153652,
3.57091321437834
],
[
-0.7713344911320554,
6.398671653463481,
5.853816590621659
],
[
-2.481487708065561,
11.548009017093658,
4.154701691858993
],
[
-2.481487708065561,
11.063806387906341,
5.270028113141006
],
[
2.481487708065561,
8.832931312906341,
2.178598678141006
],
[
2.481487708065561,
9.317133942093658,
1.0632722568589936
],
[
-1.8505514100167253,
11.42929563077991,
1.9582918795171989
],
[
-1.8505514100167246,
6.72076962422009,
1.2835790554828008
],
[
1.8505514100167246,
8.95164469922009,
4.3750084904828
],
[
1.8505514100167253,
13.66017070577991,
5.049721314517199
],
[
0.194472466002516,
5.266136856358041,
2.543619772576782
],
[
0.19447246600251633,
12.88392839864196,
0.6982511624232179
],
[
-0.19447246600251633,
15.11480347364196,
3.789680597423218
],
[
-0.194472466002516,
7.49701193135804,
5.635049207576781
],
[
-0.7904942518549052,
14.883747207813263,
6.109036411512683
],
[
-0.7904942518549049,
7.728068197186737,
3.315693393487316
],
[
0.7904942518549049,
5.497193122186737,
0.2242639584873165
],
[
0.7904942518549052,
12.652872132813263,
3.0176069765126834
]
] |
[{"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
] |
[
[
-0.14038065,
0,
0
],
[
0,
-0.90383007,
0.0328608
],
[
0,
0.03286078,
-0.04524503
]
] | -146.982983 | -158.502983 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00954958,
-0.00524922,
0.01625036
],
[
-0.00954958,
0.00524922,
-0.01625036
],
[
0.00954958,
0.00524922,
-0.01625036
],
[
0.00954958,
-0.00524922,
0.01625036
],
[
0.00285166,
0.00798096,
-0.01282737
],
[
0.00285166,
-0.00798096,
0.01282737
],
[
-0.00285166,
-0.00798096,
0.01282737
],
[
-0.00285166,
0.00798096,
-0.01282737
],
[
-0.00118085,
0.00196844,
-0.00060449
],
[
-0.00118085,
-0.00196844,
0.00060449
],
[
0.00118085,
-0.00196844,
0.00060449
],
[
0.00118085,
0.00196844,
-0.00060449
],
[
-0.00731539,
-0.00832315,
-0.00432095
],
[
-0.00731539,
0.00832315,
0.00432095
],
[
0.00731539,
0.00832315,
0.00432095
],
[
0.00731539,
-0.00832315,
-0.00432095
],
[
0.00531379,
0.00251571,
0.00172232
],
[
0.00531379,
-0.00251571,
-0.00172232
],
[
-0.00531379,
-0.00251571,
-0.00172232
],
[
-0.00531379,
0.00251571,
0.00172232
]
] |
pbe
| true | 15 |
agm005266151-pbe-435
| 435 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25926315,
7.95954006,
0.07519787
],
[
-3.25926315,
7.95954006,
0.07519787
],
[
0,
4.46170222,
6.18278693
]
] |
agm005266151
|
[
[
1.629631575,
3.97977003,
0.037598935
],
[
-1.629631575,
6.210621140000001,
3.1289924
],
[
0.7713542630252744,
4.16776117043919,
2.762377709157553
],
[
0.7713542630252745,
13.98217005956081,
0.4794114958424468
],
[
-0.7713542630252745,
16.21302116956081,
3.5708049608424464
],
[
-0.7713542630252744,
6.39861228043919,
5.853771174157553
],
[
-2.481487617087122,
11.547919792910909,
4.154612313893023
],
[
-2.481487617087122,
11.063713657089092,
5.269963821106978
],
[
2.481487617087122,
8.832862547089093,
2.178570356106978
],
[
2.481487617087122,
9.317068682910909,
1.063218848893022
],
[
-1.8505403572280625,
11.429228547779466,
1.9582435243079863
],
[
-1.8505403572280628,
6.720702682220535,
1.2835456806920134
],
[
1.8505403572280628,
8.951553792220537,
4.3749391456920135
],
[
1.8505403572280625,
13.660079657779466,
5.049636989307986
],
[
0.19449300847204798,
5.2660949191358934,
2.543609747314833
],
[
0.19449300847204842,
12.883836310864108,
0.698179457685167
],
[
-0.19449300847204842,
15.114687420864108,
3.7895729226851667
],
[
-0.19449300847204798,
7.496946029135893,
5.6350032123148335
],
[
-0.7905573852082333,
14.883595968766858,
6.108916406484199
],
[
-0.7905573852082335,
7.728037481233143,
3.315659728515801
],
[
0.7905573852082335,
5.497186371233142,
0.2242662635158007
],
[
0.7905573852082333,
12.652744858766859,
3.0175229414841986
]
] |
[{"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
] |
[
[
-0.11231103,
0,
0
],
[
0,
-0.85902712,
0.02616537
],
[
0,
0.02616535,
0.00994732
]
] | -146.982983 | -158.502983 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.009712,
-0.00486308,
0.01486142
],
[
-0.009712,
0.00486308,
-0.01486142
],
[
0.009712,
0.00486308,
-0.01486142
],
[
0.009712,
-0.00486308,
0.01486142
],
[
0.00280686,
0.00663971,
-0.00965476
],
[
0.00280686,
-0.00663971,
0.00965476
],
[
-0.00280686,
-0.00663971,
0.00965476
],
[
-0.00280686,
0.00663971,
-0.00965476
],
[
-0.00167758,
0.0016142,
-0.00120368
],
[
-0.00167758,
-0.0016142,
0.00120368
],
[
0.00167758,
-0.0016142,
0.00120368
],
[
0.00167758,
0.0016142,
-0.00120368
],
[
-0.00810817,
-0.00855106,
-0.00472629
],
[
-0.00810817,
0.00855106,
0.00472629
],
[
0.00810817,
0.00855106,
0.00472629
],
[
0.00810817,
-0.00855106,
-0.00472629
],
[
0.00502923,
0.00299411,
0.00190369
],
[
0.00502923,
-0.00299411,
-0.00190369
],
[
-0.00502923,
-0.00299411,
-0.00190369
],
[
-0.00502923,
0.00299411,
0.00190369
]
] |
pbe
| true | 15 |
agm005266151-pbe-436
| 436 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25921039,
7.95937836,
0.07530368
],
[
-3.25921039,
7.95937836,
0.07530368
],
[
0,
4.46169088,
6.18309239
]
] |
agm005266151
|
[
[
1.629605195,
3.97968918,
0.03765184
],
[
-1.629605195,
6.21053462,
3.129198035
],
[
0.771207366731256,
4.167677194168272,
2.7625174984173437
],
[
0.7712073667312564,
13.981924965831725,
0.47963605658265623
],
[
-0.7712073667312564,
16.212770405831726,
3.5711822515826563
],
[
-0.771207366731256,
6.398522634168272,
5.854063693417343
],
[
-2.481454519976844,
11.54777124075092,
4.154938136283408
],
[
-2.481454519976844,
11.06352179924908,
5.270307808716591
],
[
2.481454519976844,
8.83267635924908,
2.178761613716592
],
[
2.481454519976844,
9.31692580075092,
1.0633919412834079
],
[
-1.850584450481273,
11.428960292642703,
1.9584524791012292
],
[
-1.8505844504812732,
6.720641867357297,
1.2837010758987706
],
[
1.8505844504812732,
8.951487307357297,
4.375247270898771
],
[
1.850584450481273,
13.659805732642704,
5.0499986741012295
],
[
0.1943565257789739,
5.265960553444808,
2.543630422903898
],
[
0.1943565257789741,
12.88364160655519,
0.6985231320961018
],
[
-0.1943565257789741,
15.11448704655519,
3.7900693270961017
],
[
-0.1943565257789739,
7.496805993444808,
5.635176617903898
],
[
-0.7902615580658976,
14.883519726817465,
6.109446779500616
],
[
-0.7902615580658974,
7.727773313182533,
3.3157991654993837
],
[
0.7902615580658974,
5.496927873182533,
0.22425297049938359
],
[
0.7902615580658976,
12.652674286817465,
3.017900584500616
]
] |
[{"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
] |
[
[
-0.13251822,
0,
0
],
[
0,
-0.84590826,
0.03801372
],
[
0,
0.03801363,
-0.16713947
]
] | -146.983006 | -158.503006 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00693566,
-0.0070284,
0.01345009
],
[
-0.00693566,
0.0070284,
-0.01345009
],
[
0.00693566,
0.0070284,
-0.01345009
],
[
0.00693566,
-0.0070284,
0.01345009
],
[
0.00271627,
0.00539108,
-0.00782809
],
[
0.00271627,
-0.00539108,
0.00782809
],
[
-0.00271627,
-0.00539108,
0.00782809
],
[
-0.00271627,
0.00539108,
-0.00782809
],
[
-0.00224674,
0.00262039,
0.00139034
],
[
-0.00224674,
-0.00262039,
-0.00139034
],
[
0.00224674,
-0.00262039,
-0.00139034
],
[
0.00224674,
0.00262039,
0.00139034
],
[
-0.00847689,
-0.007101,
-0.0036485
],
[
-0.00847689,
0.007101,
0.0036485
],
[
0.00847689,
0.007101,
0.0036485
],
[
0.00847689,
-0.007101,
-0.0036485
],
[
0.00474086,
0.00127591,
0.00158352
],
[
0.00474086,
-0.00127591,
-0.00158352
],
[
-0.00474086,
-0.00127591,
-0.00158352
],
[
-0.00474086,
0.00127591,
0.00158352
]
] |
pbe
| true | 15 |
agm005266151-pbe-437
| 437 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25905213,
7.95889326,
0.0756211
],
[
-3.25905213,
7.95889326,
0.0756211
],
[
0,
4.46165686,
6.18400875
]
] |
agm005266151
|
[
[
1.629526065,
3.97944663,
0.03781055
],
[
-1.629526065,
6.21027506,
3.1298149250000002
],
[
0.7707666760985539,
4.16742534956089,
2.7629368380788573
],
[
0.7707666760985536,
13.98118960043911,
0.48030973692114254
],
[
-0.7707666760985536,
16.21201803043911,
3.572314111921143
],
[
-0.7707666760985539,
6.39825377956089,
5.854941213078858
],
[
-2.481355177318565,
11.547325373758452,
4.155915526228654
],
[
-2.481355177318565,
11.062946436241546,
5.271339798771347
],
[
2.481355177318565,
8.832118006241547,
2.1793354237713465
],
[
2.481355177318565,
9.316496943758452,
1.0639111512286534
],
[
-1.8507168249853758,
11.428155415075544,
1.959079244648054
],
[
-1.8507168249853758,
6.720459534924457,
1.284167330351946
],
[
1.8507168249853758,
8.951287964924457,
4.376171705351946
],
[
1.8507168249853758,
13.658983845075543,
5.051083619648055
],
[
0.19394713738141778,
5.265557482822739,
2.543692295080574
],
[
0.19394713738141744,
12.88305746717726,
0.6995542799194265
],
[
-0.19394713738141744,
15.113885897177258,
3.7915586549194265
],
[
-0.19394713738141778,
7.496385912822739,
5.6356966700805735
],
[
-0.7893740712821824,
14.883290908925074,
6.111038055991476
],
[
-0.7893740712821823,
7.726980901074928,
3.3162172690085243
],
[
0.7893740712821823,
5.496152471074927,
0.224212894008524
],
[
0.7893740712821824,
12.652462478925074,
3.019033680991476
]
] |
[{"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
] |
[
[
-0.1485471,
0,
0
],
[
0,
-0.74130959,
0.07535648
],
[
0,
0.0753564,
-0.60870989
]
] | -146.983058 | -158.503058 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00140883,
-0.01383091,
0.00889977
],
[
0.00140883,
0.01383091,
-0.00889977
],
[
-0.00140883,
0.01383091,
-0.00889977
],
[
-0.00140883,
-0.01383091,
0.00889977
],
[
0.00203,
0.0019168,
-0.00334587
],
[
0.00203,
-0.0019168,
0.00334587
],
[
-0.00203,
-0.0019168,
0.00334587
],
[
-0.00203,
0.0019168,
-0.00334587
],
[
-0.0061766,
0.0052684,
0.00728532
],
[
-0.0061766,
-0.0052684,
-0.00728532
],
[
0.0061766,
-0.0052684,
-0.00728532
],
[
0.0061766,
0.0052684,
0.00728532
],
[
-0.01156903,
-0.00502912,
-0.002096
],
[
-0.01156903,
0.00502912,
0.002096
],
[
0.01156903,
0.00502912,
0.002096
],
[
0.01156903,
-0.00502912,
-0.002096
],
[
0.00450223,
-0.00069029,
0.00179568
],
[
0.00450223,
0.00069029,
-0.00179568
],
[
-0.00450223,
0.00069029,
-0.00179568
],
[
-0.00450223,
-0.00069029,
0.00179568
]
] |
pbe
| true | 15 |
agm005266151-pbe-438
| 438 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25873562,
7.95792306,
0.07625594
],
[
-3.25873562,
7.95792306,
0.07625594
],
[
0,
4.46158883,
6.18584148
]
] |
agm005266151
|
[
[
1.62936781,
3.97896153,
0.03812797
],
[
-1.62936781,
6.2097559449999995,
3.13104871
],
[
0.7698853820973798,
4.166921650561653,
2.7637755053042805
],
[
0.7698853820973799,
13.979718884438347,
0.48165711469571937
],
[
-0.7698853820973799,
16.210513299438347,
3.5745778546957188
],
[
-0.7698853820973798,
6.397716065561653,
5.85669624530428
],
[
-2.4811565260405812,
11.546433581227383,
4.157870419241784
],
[
-2.4811565260405812,
11.061795783772615,
5.273403680758216
],
[
2.4811565260405812,
8.831001368772615,
2.180482940758216
],
[
2.4811565260405812,
9.315639166227383,
1.0649496792417839
],
[
-1.8509814823357884,
11.426545682240715,
1.9603327608456849
],
[
-1.8509814823357886,
6.720094852759285,
1.285099859154315
],
[
1.8509814823357886,
8.950889267759285,
4.378020599154315
],
[
1.8509814823357884,
13.657340097240715,
5.053253500845686
],
[
0.19312844512160088,
5.264751157759135,
2.5438158001852296
],
[
0.1931284451216011,
12.881889377240864,
0.7016168198147701
],
[
-0.1931284451216011,
15.112683792240864,
3.7945375598147697
],
[
-0.19312844512160088,
7.495545572759136,
5.63673654018523
],
[
-0.787599249767932,
14.882833332973469,
6.114220803172403
],
[
-0.7875992497679318,
7.7253960320265325,
3.3170532968275963
],
[
0.7875992497679318,
5.494601617026532,
0.22413255682759675
],
[
0.787599249767932,
12.652038917973469,
3.021300063172403
]
] |
[{"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
] |
[
[
-0.17746383,
0,
0
],
[
0,
-0.536171,
0.14858675
],
[
0,
0.14858671,
-1.49203223
]
] | -146.983091 | -158.503091 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01819317,
-0.02771714,
-0.00027299
],
[
0.01819317,
0.02771714,
0.00027299
],
[
-0.01819317,
0.02771714,
0.00027299
],
[
-0.01819317,
-0.02771714,
-0.00027299
],
[
0.00071499,
-0.00511058,
0.00554455
],
[
0.00071499,
0.00511058,
-0.00554455
],
[
-0.00071499,
0.00511058,
-0.00554455
],
[
-0.00071499,
-0.00511058,
0.00554455
],
[
-0.01409398,
0.01070826,
0.01957456
],
[
-0.01409398,
-0.01070826,
-0.01957456
],
[
0.01409398,
-0.01070826,
-0.01957456
],
[
0.01409398,
0.01070826,
0.01957456
],
[
-0.01767315,
-0.00109024,
0.00090629
],
[
-0.01767315,
0.00109024,
-0.00090629
],
[
0.01767315,
0.00109024,
-0.00090629
],
[
0.01767315,
-0.00109024,
0.00090629
],
[
0.0040588,
-0.00493683,
0.00213499
],
[
0.0040588,
0.00493683,
-0.00213499
],
[
-0.0040588,
0.00493683,
-0.00213499
],
[
-0.0040588,
-0.00493683,
0.00213499
]
] |
pbe
| true | 15 |
agm005266151-pbe-439
| 439 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.52400618,
7.16475936,
-0.03458726
],
[
-3.52400618,
7.16475936,
-0.03458726
],
[
0,
3.94128697,
6.08603462
]
] |
agm005266151
|
[
[
1.76200309,
3.58237968,
-0.01729363
],
[
-1.76200309,
5.553023165,
3.02572368
],
[
0.7911498889484165,
3.7474375365624004,
2.6789990124949887
],
[
0.7911498889484165,
12.5527246684376,
0.29484377750501106
],
[
-0.7911498889484165,
14.5233681534376,
3.337861087505011
],
[
-0.7911498889484165,
5.7180810215624005,
5.72201632249499
],
[
-2.708699369647931,
10.354852243583185,
3.969788321171784
],
[
-2.708699369647931,
9.886596931416815,
5.090089088828216
],
[
2.708699369647931,
7.915953446416815,
2.0470717788282156
],
[
2.708699369647931,
8.384208758583185,
0.9267710111717844
],
[
-2.0116570437746226,
10.259710938810043,
1.7974732421473054
],
[
-2.0116570437746226,
6.040451266189957,
1.1763695478526948
],
[
2.0116570437746226,
8.011094751189956,
4.219386857852695
],
[
2.0116570437746226,
12.230354423810043,
4.840490552147306
],
[
0.12104400911317381,
4.781727564581532,
2.416397468359926
],
[
0.12104400911317414,
11.51843464041847,
0.5574453216400742
],
[
-0.12104400911317414,
13.48907812541847,
3.600462631640074
],
[
-0.12104400911317381,
6.752371049581532,
5.4594147783599265
],
[
-1.069377083911529,
13.101511662006384,
5.826275615822696
],
[
-1.069377083911529,
7.139937512993614,
3.233601794177304
],
[
1.069377083911529,
5.1692940279936135,
0.19058448417730442
],
[
1.069377083911529,
11.130868177006384,
2.7832583058226956
]
] |
[{"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
] |
[
[
1.1808692,
0,
0
],
[
0,
1.04524784,
-0.23362956
],
[
0,
-0.23362957,
2.97253338
]
] | -146.828338 | -158.348338 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.03480264,
-0.00640122,
-0.03399372
],
[
0.03480264,
0.00640122,
0.03399372
],
[
-0.03480264,
0.00640122,
0.03399372
],
[
-0.03480264,
-0.00640122,
-0.03399372
],
[
0.00233461,
0.0879125,
-0.1486497
],
[
0.00233461,
-0.0879125,
0.1486497
],
[
-0.00233461,
-0.0879125,
0.1486497
],
[
-0.00233461,
0.0879125,
-0.1486497
],
[
0.03913166,
-0.02837515,
0.01706665
],
[
0.03913166,
0.02837515,
-0.01706665
],
[
-0.03913166,
0.02837515,
-0.01706665
],
[
-0.03913166,
-0.02837515,
0.01706665
],
[
0.01074781,
0.00258949,
0.07846086
],
[
0.01074781,
-0.00258949,
-0.07846086
],
[
-0.01074781,
-0.00258949,
-0.07846086
],
[
-0.01074781,
0.00258949,
0.07846086
],
[
0.02775793,
0.01349738,
0.00405365
],
[
0.02775793,
-0.01349738,
-0.00405365
],
[
-0.02775793,
-0.01349738,
-0.00405365
],
[
-0.02775793,
0.01349738,
0.00405365
]
] |
pbe
| true | 15 |
agm005266151-pbe-44
| 44 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25868015,
7.95771258,
0.07636573
],
[
-3.25868015,
7.95771258,
0.07636573
],
[
0,
4.46155495,
6.18596849
]
] |
agm005266151
|
[
[
1.629340075,
3.97885629,
0.038182865
],
[
-1.629340075,
6.2096337649999995,
3.13116711
],
[
0.7697878121656304,
4.166768597410941,
2.7638398696321858
],
[
0.7697878121656303,
13.979434037589058,
0.4818758353678139
],
[
-0.7697878121656303,
16.21021151258906,
3.574860080367814
],
[
-0.7697878121656304,
6.397546072410941,
5.856824114632186
],
[
-2.481119179964964,
11.546203815097662,
4.1580916495623885
],
[
-2.481119179964964,
11.061553769902336,
5.273592545437611
],
[
2.481119179964964,
8.830776294902336,
2.180608300437611
],
[
2.481119179964964,
9.315426340097662,
1.0651074045623885
],
[
-1.8510400449606503,
11.42623573236709,
1.9605304499220544
],
[
-1.85104004496065,
6.719966902632908,
1.2851852550779455
],
[
1.85104004496065,
8.950744377632908,
4.378169500077945
],
[
1.8510400449606503,
13.65701320736709,
5.053514694922055
],
[
0.19297688775410105,
5.264592138492568,
2.5437863383585677
],
[
0.19297688775410116,
12.881610496507431,
0.7019293666414319
],
[
-0.19297688775410116,
15.112387971507431,
3.7949136116414315
],
[
-0.19297688775410105,
7.495369613492568,
5.636770583358567
],
[
-0.7873315033155823,
14.882642676033594,
6.1145750850716505
],
[
-0.7873315033155823,
7.725114908966407,
3.317109109928349
],
[
0.7873315033155823,
5.494337433966407,
0.2241248649283495
],
[
0.7873315033155823,
12.651865201033594,
3.0215908400716502
]
] |
[{"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
] |
[
[
-0.15499758,
0,
0
],
[
0,
-0.48960215,
0.1623343
],
[
0,
0.16233433,
-1.44192953
]
] | -146.983113 | -158.503113 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01729979,
-0.0253196,
-0.00010345
],
[
0.01729979,
0.0253196,
0.00010345
],
[
-0.01729979,
0.0253196,
0.00010345
],
[
-0.01729979,
-0.0253196,
-0.00010345
],
[
0.00056543,
-0.00447892,
0.00360388
],
[
0.00056543,
0.00447892,
-0.00360388
],
[
-0.00056543,
0.00447892,
-0.00360388
],
[
-0.00056543,
-0.00447892,
0.00360388
],
[
-0.01301242,
0.00931996,
0.01874071
],
[
-0.01301242,
-0.00931996,
-0.01874071
],
[
0.01301242,
-0.00931996,
-0.01874071
],
[
0.01301242,
0.00931996,
0.01874071
],
[
-0.01756354,
-0.00207241,
0.00156763
],
[
-0.01756354,
0.00207241,
-0.00156763
],
[
0.01756354,
0.00207241,
-0.00156763
],
[
0.01756354,
-0.00207241,
0.00156763
],
[
0.00434189,
-0.00546006,
0.00222914
],
[
0.00434189,
0.00546006,
-0.00222914
],
[
-0.00434189,
0.00546006,
-0.00222914
],
[
-0.00434189,
-0.00546006,
0.00222914
]
] |
pbe
| true | 15 |
agm005266151-pbe-440
| 440 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25851376,
7.95708114,
0.0766951
],
[
-3.25851376,
7.95708114,
0.0766951
],
[
0,
4.46145331,
6.18634949
]
] |
agm005266151
|
[
[
1.62925688,
3.97854057,
0.03834755
],
[
-1.62925688,
6.209267225,
3.131522295
],
[
0.7694950591764783,
4.166309708253495,
2.764033058573332
],
[
0.7694950591764784,
13.978579226746504,
0.4825318864266674
],
[
-0.7694950591764784,
16.209305881746506,
3.575706631426667
],
[
-0.7694950591764783,
6.397036363253495,
5.857207803573333
],
[
-2.481007058212085,
11.54551452301324,
4.1587554494438566
],
[
-2.481007058212085,
11.06082772198676,
5.274158985556143
],
[
2.481007058212085,
8.83010106698676,
2.1809842405561426
],
[
2.481007058212085,
9.31478786801324,
1.0655807044438574
],
[
-1.8512157257992783,
11.425305896635772,
1.961123505275583
],
[
-1.8512157257992783,
6.719583038364228,
1.2854414397244165
],
[
1.8512157257992783,
8.950309693364229,
4.378616184724417
],
[
1.8512157257992783,
13.656032551635771,
5.054298250275583
],
[
0.19252237746042877,
5.264114872990813,
2.543697851996098
],
[
0.19252237746042855,
12.880774062009186,
0.7028670930039018
],
[
-0.19252237746042855,
15.111500717009186,
3.7960418380039016
],
[
-0.19252237746042877,
7.494841527990813,
5.636872596996097
],
[
-0.7865282881541262,
14.882070511774732,
6.1156378079386595
],
[
-0.7865282881541265,
7.724271733225269,
3.3172766270613403
],
[
0.7865282881541265,
5.493545078225269,
0.22410188206134002
],
[
0.7865282881541262,
12.651343856774732,
3.0224630629386597
]
] |
[{"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
] |
[
[
-0.12351302,
0,
0
],
[
0,
-0.36934123,
0.21230997
],
[
0,
0.21231003,
-1.30154374
]
] | -146.983168 | -158.503168 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01431304,
-0.01805747,
0.00001893
],
[
0.01431304,
0.01805747,
-0.00001893
],
[
-0.01431304,
0.01805747,
-0.00001893
],
[
-0.01431304,
-0.01805747,
0.00001893
],
[
-0.00006801,
-0.0027015,
-0.00249132
],
[
-0.00006801,
0.0027015,
0.00249132
],
[
0.00006801,
0.0027015,
0.00249132
],
[
0.00006801,
-0.0027015,
-0.00249132
],
[
-0.00995096,
0.00480365,
0.01580544
],
[
-0.00995096,
-0.00480365,
-0.01580544
],
[
0.00995096,
-0.00480365,
-0.01580544
],
[
0.00995096,
0.00480365,
0.01580544
],
[
-0.01704905,
-0.00538388,
0.00389359
],
[
-0.01704905,
0.00538388,
-0.00389359
],
[
0.01704905,
0.00538388,
-0.00389359
],
[
0.01704905,
-0.00538388,
0.00389359
],
[
0.00406984,
-0.00754541,
0.00231315
],
[
0.00406984,
0.00754541,
-0.00231315
],
[
-0.00406984,
0.00754541,
-0.00231315
],
[
-0.00406984,
-0.00754541,
0.00231315
]
] |
pbe
| true | 15 |
agm005266151-pbe-441
| 441 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25818098,
7.95581826,
0.07735384
],
[
-3.25818098,
7.95581826,
0.07735384
],
[
0,
4.46125003,
6.18711151
]
] |
agm005266151
|
[
[
1.62909049,
3.97790913,
0.03867692
],
[
-1.62909049,
6.208534145,
3.132232675
],
[
0.7689095656854399,
4.165392073121135,
2.764419435272734
],
[
0.7689095656854397,
13.976869461878865,
0.4838439997272661
],
[
-0.7689095656854397,
16.207494476878864,
3.5773997547272667
],
[
-0.7689095656854399,
6.396017088121135,
5.857975190272734
],
[
-2.4807828754073666,
11.544136082895633,
4.160083089716776
],
[
-2.480782875407366,
11.059375482104368,
5.275291855283224
],
[
2.480782875407366,
8.828750467104367,
2.1817361002832243
],
[
2.4807828754073666,
9.313511067895632,
1.0665273347167759
],
[
-1.8515670372759914,
11.423446411846784,
1.9623096718875006
],
[
-1.8515670372759914,
6.718815123153215,
1.2859537631124995
],
[
1.8515670372759914,
8.949440138153216,
4.3795095181125
],
[
1.8515670372759914,
13.654071426846786,
5.0558654268875
],
[
0.1916133301975117,
5.26316044848332,
2.543520836078015
],
[
0.19161333019751137,
12.87910108651668,
0.7047425989219853
],
[
-0.19161333019751137,
15.109726101516681,
3.7982983539219854
],
[
-0.1916133301975117,
7.49378546348332,
5.637076591078015
],
[
-0.7849219286934597,
14.880926196600655,
6.117763474412283
],
[
-0.7849219286934597,
7.722585368399347,
3.3176114705877175
],
[
0.7849219286934597,
5.491960353399347,
0.2240557155877175
],
[
0.7849219286934597,
12.650301181600653,
3.0242077194122823
]
] |
[{"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
] |
[
[
-0.04805943,
0,
0
],
[
0,
-0.11411547,
0.31421594
],
[
0,
0.31421603,
-1.00680718
]
] | -146.983239 | -158.503239 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00842843,
-0.00318365,
0.00051341
],
[
0.00842843,
0.00318365,
-0.00051341
],
[
-0.00842843,
0.00318365,
-0.00051341
],
[
-0.00842843,
-0.00318365,
0.00051341
],
[
-0.00125054,
0.00088012,
-0.01462705
],
[
-0.00125054,
-0.00088012,
0.01462705
],
[
0.00125054,
-0.00088012,
0.01462705
],
[
0.00125054,
0.00088012,
-0.01462705
],
[
-0.00360913,
-0.00409509,
0.01035164
],
[
-0.00360913,
0.00409509,
-0.01035164
],
[
0.00360913,
0.00409509,
-0.01035164
],
[
0.00360913,
-0.00409509,
0.01035164
],
[
-0.01601776,
-0.01198474,
0.00844521
],
[
-0.01601776,
0.01198474,
-0.00844521
],
[
0.01601776,
0.01198474,
-0.00844521
],
[
0.01601776,
-0.01198474,
0.00844521
],
[
0.00405558,
-0.01144147,
0.00250444
],
[
0.00405558,
0.01144147,
-0.00250444
],
[
-0.00405558,
0.01144147,
-0.00250444
],
[
-0.00405558,
-0.01144147,
0.00250444
]
] |
pbe
| true | 15 |
agm005266151-pbe-442
| 442 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25751541,
7.9532925,
0.07867132
],
[
-3.25751541,
7.9532925,
0.07867132
],
[
0,
4.46084346,
6.18863554
]
] |
agm005266151
|
[
[
1.628757705,
3.97664625,
0.03933566
],
[
-1.628757705,
6.20706798,
3.13365343
],
[
0.7677388218397054,
4.16355671549355,
2.7651918918759812
],
[
0.7677388218397052,
13.973450014506449,
0.48646851812401903
],
[
-0.7677388218397052,
16.20387174450645,
3.5807862881240187
],
[
-0.7677388218397054,
6.39397844549355,
5.859509661875981
],
[
-2.480334484293485,
11.541379046442556,
4.162738343125295
],
[
-2.480334484293485,
11.056471143557445,
5.277557606874705
],
[
2.480334484293485,
8.826049413557445,
2.1832398368747046
],
[
2.480334484293485,
9.310957316442556,
1.0684205731252956
],
[
-1.8522694536945137,
11.419727530113251,
1.9646819495470473
],
[
-1.8522694536945137,
6.71727919988675,
1.2869784604529524
],
[
1.8522694536945137,
8.94770092988675,
4.381296230452953
],
[
1.8522694536945137,
13.650149260113253,
5.058999719547048
],
[
0.18979564982216124,
5.261251295712633,
2.543166465078674
],
[
0.18979564982216157,
12.875755434287369,
0.7084939449213258
],
[
-0.18979564982216157,
15.106177164287368,
3.802811714921326
],
[
-0.18979564982216124,
7.4916730257126325,
5.637484235078674
],
[
-0.7817098819561918,
14.878637411896323,
6.1220151095076245
],
[
-0.781709881956192,
7.7192127781036755,
3.3182808404923754
],
[
0.781709881956192,
5.488791048103675,
0.223963070492375
],
[
0.7817098819561918,
12.648215681896323,
3.027697339507625
]
] |
[{"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
] |
[
[
0.06480736,
0,
0
],
[
0,
0.33604347,
0.50767245
],
[
0,
0.5076723,
-0.46935846
]
] | -146.983223 | -158.503223 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00298901,
0.02611249,
0.00125916
],
[
-0.00298901,
-0.02611249,
-0.00125916
],
[
0.00298901,
-0.02611249,
-0.00125916
],
[
0.00298901,
0.02611249,
0.00125916
],
[
-0.00361044,
0.00816479,
-0.0390437
],
[
-0.00361044,
-0.00816479,
0.0390437
],
[
0.00361044,
-0.00816479,
0.0390437
],
[
0.00361044,
0.00816479,
-0.0390437
],
[
0.00857271,
-0.02210393,
-0.0001252
],
[
0.00857271,
0.02210393,
0.0001252
],
[
-0.00857271,
0.02210393,
0.0001252
],
[
-0.00857271,
-0.02210393,
-0.0001252
],
[
-0.01374014,
-0.02525008,
0.01704945
],
[
-0.01374014,
0.02525008,
-0.01704945
],
[
0.01374014,
0.02525008,
-0.01704945
],
[
0.01374014,
-0.02525008,
0.01704945
],
[
0.00453344,
-0.02005449,
0.00292732
],
[
0.00453344,
0.02005449,
-0.00292732
],
[
-0.00453344,
0.02005449,
-0.00292732
],
[
-0.00453344,
-0.02005449,
0.00292732
]
] |
pbe
| true | 15 |
agm005266151-pbe-443
| 443 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25788893,
7.95470996,
0.07793195
],
[
-3.25788893,
7.95470996,
0.07793195
],
[
0,
4.46107163,
6.18778025
]
] |
agm005266151
|
[
[
1.628944465,
3.97735498,
0.038965975
],
[
-1.628944465,
6.207890795,
3.1328561
],
[
0.7683959093630099,
4.164586710637719,
2.7647583146390455
],
[
0.7683959093630102,
13.97536902436228,
0.4849957103609545
],
[
-0.7683959093630102,
16.20590483936228,
3.5788858353609543
],
[
-0.7683959093630099,
6.395122525637721,
5.858648439639046
],
[
-2.4805861151968163,
11.542926325939721,
4.161248249710225
],
[
-2.4805861151968163,
11.058101039060277,
5.276286025289776
],
[
2.4805861151968163,
8.827565224060278,
2.182395900289776
],
[
2.4805861151968163,
9.312390510939721,
1.067358124710224
],
[
-1.8518751909653726,
11.421814638627552,
1.9633506278338646
],
[
-1.8518751909653717,
6.718141096372448,
1.2864033971661355
],
[
1.8518751909653717,
8.948676911372448,
4.380293522166136
],
[
1.8518751909653726,
13.652350453627552,
5.057240752833865
],
[
0.19081585778567212,
5.2623226512666355,
2.5433652285353023
],
[
0.190815857785672,
12.877633083733363,
0.7063887964646981
],
[
-0.190815857785672,
15.108168898733364,
3.800278921464698
],
[
-0.19081585778567212,
7.492858466266636,
5.637255353535303
],
[
-0.7835127094715455,
14.879921853838452,
6.119629211287338
],
[
-0.7835127094715458,
7.721105511161548,
3.3179050637126632
],
[
0.7835127094715458,
5.490569696161548,
0.22401493871266304
],
[
0.7835127094715455,
12.649386038838452,
3.025739086287337
]
] |
[{"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
] |
[
[
-0.0134856,
0,
0
],
[
0,
0.06508842,
0.39403876
],
[
0,
0.39403873,
-0.78474415
]
] | -146.983255 | -158.503255 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00363307,
0.00936675,
0.00070666
],
[
0.00363307,
-0.00936675,
-0.00070666
],
[
-0.00363307,
-0.00936675,
-0.00070666
],
[
-0.00363307,
0.00936675,
0.00070666
],
[
-0.00226273,
0.0041059,
-0.02537092
],
[
-0.00226273,
-0.0041059,
0.02537092
],
[
0.00226273,
-0.0041059,
0.02537092
],
[
0.00226273,
0.0041059,
-0.02537092
],
[
0.00159752,
-0.01201164,
0.00624489
],
[
0.00159752,
0.01201164,
-0.00624489
],
[
-0.00159752,
0.01201164,
-0.00624489
],
[
-0.00159752,
-0.01201164,
0.00624489
],
[
-0.01507104,
-0.01777707,
0.01214913
],
[
-0.01507104,
0.01777707,
-0.01214913
],
[
0.01507104,
0.01777707,
-0.01214913
],
[
0.01507104,
-0.01777707,
0.01214913
],
[
0.00449981,
-0.0155191,
0.00278228
],
[
0.00449981,
0.0155191,
-0.00278228
],
[
-0.00449981,
0.0155191,
-0.00278228
],
[
-0.00449981,
-0.0155191,
0.00278228
]
] |
pbe
| true | 15 |
agm005266151-pbe-444
| 444 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25777513,
7.95432314,
0.07834475
],
[
-3.25777513,
7.95432314,
0.07834475
],
[
0,
4.46117522,
6.18784004
]
] |
agm005266151
|
[
[
1.628887565,
3.97716157,
0.039172375
],
[
-1.628887565,
6.20774918,
3.1330923950000003
],
[
0.7682251403311666,
4.164431122587838,
2.7648589660361895
],
[
0.7682251403311664,
13.97480276741216,
0.4857505539638106
],
[
-0.7682251403311664,
16.20539037741216,
3.5796705739638113
],
[
-0.7682251403311666,
6.395018732587838,
5.85877898603619
],
[
-2.4805249752261944,
11.542645165612685,
4.161595455164656
],
[
-2.4805249752261944,
11.057763944387315,
5.276854104835344
],
[
2.4805249752261944,
8.827176334387316,
2.1829340848353445
],
[
2.4805249752261944,
9.312057555612684,
1.0676754351646556
],
[
-1.8519797452803897,
11.421206127430034,
1.963975715759236
],
[
-1.8519797452803899,
6.718027762569965,
1.2866338042407643
],
[
1.8519797452803899,
8.948615372569964,
4.3805538242407644
],
[
1.8519797452803897,
13.651793737430035,
5.057895735759236
],
[
0.19040757395612562,
5.261965051106434,
2.543395403548477
],
[
0.19040757395612617,
12.877268838893565,
0.7072141164515227
],
[
-0.19040757395612617,
15.107856448893564,
3.801134136451523
],
[
-0.19040757395612562,
7.4925526611064335,
5.637315423548477
],
[
-0.7829447457010457,
14.879644623557773,
6.120424561017323
],
[
-0.7829447457010458,
7.720764486442228,
3.318024998982677
],
[
0.7829447457010458,
5.490176876442227,
0.2241049789826768
],
[
0.7829447457010457,
12.649057013557773,
3.026504541017323
]
] |
[{"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
] |
[
[
0.05099244,
0,
0
],
[
0,
0.18883163,
0.40463617
],
[
0,
0.40463616,
-0.68880572
]
] | -146.983308 | -158.503308 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00267281,
0.00937601,
-0.00192094
],
[
0.00267281,
-0.00937601,
0.00192094
],
[
-0.00267281,
-0.00937601,
0.00192094
],
[
-0.00267281,
0.00937601,
-0.00192094
],
[
-0.00206542,
-0.00771582,
0.00194348
],
[
-0.00206542,
0.00771582,
-0.00194348
],
[
0.00206542,
0.00771582,
-0.00194348
],
[
0.00206542,
-0.00771582,
0.00194348
],
[
0.0040076,
-0.01328345,
0.00246799
],
[
0.0040076,
0.01328345,
-0.00246799
],
[
-0.0040076,
0.01328345,
-0.00246799
],
[
-0.0040076,
-0.01328345,
0.00246799
],
[
-0.01597503,
-0.01376808,
0.01048955
],
[
-0.01597503,
0.01376808,
-0.01048955
],
[
0.01597503,
0.01376808,
-0.01048955
],
[
0.01597503,
-0.01376808,
0.01048955
],
[
0.0034198,
-0.01475739,
0.00302587
],
[
0.0034198,
0.01475739,
-0.00302587
],
[
-0.0034198,
0.01475739,
-0.00302587
],
[
-0.0034198,
-0.01475739,
0.00302587
]
] |
pbe
| true | 15 |
agm005266151-pbe-445
| 445 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25762786,
7.95382253,
0.07887899
],
[
-3.25762786,
7.95382253,
0.07887899
],
[
0,
4.46130929,
6.18791741
]
] |
agm005266151
|
[
[
1.62881393,
3.976911265,
0.039439495
],
[
-1.62881393,
6.20756591,
3.1333982
],
[
0.7680041084398517,
4.164229759371652,
2.7649892036632475
],
[
0.7680041084398517,
13.974069945628345,
0.48672748133675253
],
[
-0.7680041084398517,
16.204724590628345,
3.580686186336752
],
[
-0.7680041084398517,
6.394884404371654,
5.858947908663247
],
[
-2.4804457759799416,
11.542281384092382,
4.162044895326243
],
[
-2.4804457759799416,
11.057327610907619,
5.277589199673757
],
[
2.4804457759799416,
8.826672965907619,
2.183630494673757
],
[
2.4804457759799416,
9.311626739092382,
1.068086190326243
],
[
-1.8521150681398777,
11.420418688185599,
1.9647846754692058
],
[
-1.8521150681398775,
6.717881016814402,
1.2869320095307941
],
[
1.8521150681398775,
8.9485356618144,
4.380890714530794
],
[
1.8521150681398777,
13.651073333185598,
5.058743380469205
],
[
0.18987921192370016,
5.261502353063953,
2.5434344754351526
],
[
0.18987921192370028,
12.876797351936046,
0.7082822095648474
],
[
-0.18987921192370028,
15.107451996936046,
3.8022409145648473
],
[
-0.18987921192370016,
7.492156998063953,
5.6373931804351525
],
[
-0.7822096788252324,
14.879285924414567,
6.121453886067731
],
[
-0.7822096788252324,
7.720323070585431,
3.318180208932269
],
[
0.7822096788252324,
5.489668425585432,
0.2242215039322688
],
[
0.7822096788252324,
12.648631279414568,
3.0274951810677306
]
] |
[{"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
] |
[
[
0.1298534,
0,
0
],
[
0,
0.34291209,
0.416051
],
[
0,
0.41605097,
-0.56236863
]
] | -146.983341 | -158.503341 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.0016758,
0.00933353,
-0.00538005
],
[
0.0016758,
-0.00933353,
0.00538005
],
[
-0.0016758,
-0.00933353,
0.00538005
],
[
-0.0016758,
0.00933353,
-0.00538005
],
[
-0.00181375,
-0.02296671,
0.03720092
],
[
-0.00181375,
0.02296671,
-0.03720092
],
[
0.00181375,
0.02296671,
-0.03720092
],
[
0.00181375,
-0.02296671,
0.03720092
],
[
0.0070058,
-0.01489764,
-0.00233354
],
[
0.0070058,
0.01489764,
0.00233354
],
[
-0.0070058,
0.01489764,
0.00233354
],
[
-0.0070058,
-0.01489764,
-0.00233354
],
[
-0.01746055,
-0.00842873,
0.0081731
],
[
-0.01746055,
0.00842873,
-0.0081731
],
[
0.01746055,
0.00842873,
-0.0081731
],
[
0.01746055,
-0.00842873,
0.0081731
],
[
0.00216405,
-0.0137211,
0.00339209
],
[
0.00216405,
0.0137211,
-0.00339209
],
[
-0.00216405,
0.0137211,
-0.00339209
],
[
-0.00216405,
-0.0137211,
0.00339209
]
] |
pbe
| true | 15 |
agm005266151-pbe-446
| 446 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25754942,
7.95361059,
0.07936184
],
[
-3.25754942,
7.95361059,
0.07936184
],
[
0,
4.46156623,
6.18790072
]
] |
agm005266151
|
[
[
1.62877471,
3.976805295,
0.03968092
],
[
-1.62877471,
6.20758841,
3.13363128
],
[
0.7678719598689708,
4.164247750899857,
2.765056716182288
],
[
0.7678719598689709,
13.973756544100143,
0.48761732381771195
],
[
-0.7678719598689709,
16.204539659100142,
3.581567683817712
],
[
-0.7678719598689708,
6.395030865899858,
5.859007076182288
],
[
-2.480415823648545,
11.542174605478998,
4.162609512714211
],
[
-2.4804158236485443,
11.057395919521003,
5.277965247285789
],
[
2.4804158236485443,
8.826612804521003,
2.1840148872857887
],
[
2.480415823648545,
9.311391490478998,
1.068659152714211
],
[
-1.8521811302544444,
11.420033304618206,
1.9654515522801448
],
[
-1.8521811302544446,
6.717970990381794,
1.2872224877198553
],
[
1.8521811302544446,
8.948754105381793,
4.381172847719855
],
[
1.8521811302544444,
13.650816419618206,
5.059401912280145
],
[
0.1894562401992047,
5.261280675930757,
2.543528679919124
],
[
0.18945624019920437,
12.876723619069244,
0.709145360080876
],
[
-0.18945624019920437,
15.107506734069243,
3.803095720080876
],
[
-0.1894562401992047,
7.492063790930757,
5.637479039919125
],
[
-0.7817252425609225,
14.879305732416853,
6.122253360392614
],
[
-0.7817252425609222,
7.720264792583146,
3.3183213996073855
],
[
0.7817252425609222,
5.4894816775831465,
0.2243710396073856
],
[
0.7817252425609225,
12.648522617416853,
3.0283030003926146
]
] |
[{"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
] |
[
[
0.16325317,
0,
0
],
[
0,
0.40833845,
0.24896973
],
[
0,
0.24896978,
-0.1997447
]
] | -146.983398 | -158.503398 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00183559,
0.00416586,
-0.00340552
],
[
0.00183559,
-0.00416586,
0.00340552
],
[
-0.00183559,
-0.00416586,
0.00340552
],
[
-0.00183559,
0.00416586,
-0.00340552
],
[
-0.00148492,
-0.01420433,
0.01778409
],
[
-0.00148492,
0.01420433,
-0.01778409
],
[
0.00148492,
0.01420433,
-0.01778409
],
[
0.00148492,
-0.01420433,
0.01778409
],
[
0.00678636,
-0.01284291,
-0.00326201
],
[
0.00678636,
0.01284291,
0.00326201
],
[
-0.00678636,
0.01284291,
0.00326201
],
[
-0.00678636,
-0.01284291,
-0.00326201
],
[
-0.01727127,
-0.00547165,
0.00559164
],
[
-0.01727127,
0.00547165,
-0.00559164
],
[
0.01727127,
0.00547165,
-0.00559164
],
[
0.01727127,
-0.00547165,
0.00559164
],
[
0.00067192,
-0.0113364,
0.00382433
],
[
0.00067192,
0.0113364,
-0.00382433
],
[
-0.00067192,
0.0113364,
-0.00382433
],
[
-0.00067192,
-0.0113364,
0.00382433
]
] |
pbe
| true | 15 |
agm005266151-pbe-447
| 447 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25734393,
7.95305536,
0.0806268
],
[
-3.25734393,
7.95305536,
0.0806268
],
[
0,
4.46223935,
6.18785699
]
] |
agm005266151
|
[
[
1.628671965,
3.97652768,
0.0403134
],
[
-1.628671965,
6.207647355,
3.134241895
],
[
0.7675257352320276,
4.164295116709001,
2.765233679522151
],
[
0.7675257352320277,
13.972935278290997,
0.4899484154778494
],
[
-0.7675257352320277,
16.204054953290996,
3.5838769104778496
],
[
-0.7675257352320276,
6.395414791709001,
5.859162174522151
],
[
-2.4803373369518757,
11.541894708072668,
4.164088632884981
],
[
-2.4803373369518753,
11.057575036927332,
5.278950452115019
],
[
2.4803373369518753,
8.826455361927332,
2.1850219571150187
],
[
2.4803373369518757,
9.310775033072668,
1.0701601378849814
],
[
-1.852354098407493,
11.419023698861663,
1.9671984664620268
],
[
-1.8523540984074933,
6.718206696138335,
1.2879836285379733
],
[
1.8523540984074933,
8.949326371138335,
4.381912123537973
],
[
1.852354098407493,
13.650143373861663,
5.061126961462026
],
[
0.1883481602736965,
5.260700049760078,
2.543775338043391
],
[
0.18834816027369694,
12.876530345239921,
0.7114067569566087
],
[
-0.18834816027369694,
15.10765002023992,
3.805335251956609
],
[
-0.1883481602736965,
7.491819724760077,
5.637703833043393
],
[
-0.7804561202699953,
14.879357604621838,
6.124347859438502
],
[
-0.780456120269995,
7.720112140378163,
3.318691225561498
],
[
0.780456120269995,
5.488992465378162,
0.22476273056149793
],
[
0.7804561202699953,
12.648237929621837,
3.0304193644385022
]
] |
[{"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
] |
[
[
0.20342662,
0,
0
],
[
0,
0.53913442,
-0.19215926
],
[
0,
-0.19215924,
0.71105715
]
] | -146.983461 | -158.503461 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00248478,
-0.0093153,
0.00181336
],
[
0.00248478,
0.0093153,
-0.00181336
],
[
-0.00248478,
0.0093153,
-0.00181336
],
[
-0.00248478,
-0.0093153,
0.00181336
],
[
-0.00022177,
0.00902942,
-0.03361104
],
[
-0.00022177,
-0.00902942,
0.03361104
],
[
0.00022177,
-0.00902942,
0.03361104
],
[
0.00022177,
0.00902942,
-0.03361104
],
[
0.00657749,
-0.00680043,
-0.00534227
],
[
0.00657749,
0.00680043,
0.00534227
],
[
-0.00657749,
0.00680043,
0.00534227
],
[
-0.00657749,
-0.00680043,
-0.00534227
],
[
-0.01608642,
0.00235998,
-0.00131094
],
[
-0.01608642,
-0.00235998,
0.00131094
],
[
0.01608642,
-0.00235998,
0.00131094
],
[
0.01608642,
0.00235998,
-0.00131094
],
[
-0.0032766,
-0.0054517,
0.00444573
],
[
-0.0032766,
0.0054517,
-0.00444573
],
[
0.0032766,
0.0054517,
-0.00444573
],
[
0.0032766,
-0.0054517,
0.00444573
]
] |
pbe
| true | 15 |
agm005266151-pbe-448
| 448 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25727131,
7.95300124,
0.08122283
],
[
-3.25727131,
7.95300124,
0.08122283
],
[
0,
4.4626709,
6.18803614
]
] |
agm005266151
|
[
[
1.628635655,
3.97650062,
0.040611415
],
[
-1.628635655,
6.20783607,
3.134629485
],
[
0.7673642289936369,
4.164359609704614,
2.765406998516439
],
[
0.7673642289936367,
13.972978320295386,
0.4910567314835611
],
[
-0.7673642289936367,
16.204313770295386,
3.585074801483561
],
[
-0.7673642289936369,
6.3956950597046145,
5.8594250685164395
],
[
-2.4803253940027274,
11.542111598197792,
4.164713643828382
],
[
-2.480325394002728,
11.057897231802206,
5.279786226171618
],
[
2.480325394002728,
8.826561781802207,
2.1857681561716182
],
[
2.4803253940027274,
9.310776148197792,
1.0706955738283817
],
[
-1.852427034089673,
11.418768249496454,
1.968058450722662
],
[
-1.8524270340896727,
6.718569680503546,
1.2884052792773382
],
[
1.8524270340896727,
8.949905130503547,
4.382423349277339
],
[
1.852427034089673,
13.650103699496453,
5.062076520722662
],
[
0.18765250764134533,
5.260536949695697,
2.5439452004354757
],
[
0.18765250764134578,
12.876800980304303,
0.7125185295645249
],
[
-0.18765250764134578,
15.108136430304302,
3.806536599564525
],
[
-0.18765250764134533,
7.491872399695698,
5.637963270435475
],
[
-0.7798033898266827,
14.879742743366037,
6.125587848883177
],
[
-0.7798033898266828,
7.720266086633961,
3.3189120211168226
],
[
0.7798033898266828,
5.488930636633961,
0.224893951116822
],
[
0.7798033898266827,
12.648407293366038,
3.031569778883178
]
] |
[{"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
] |
[
[
0.1542715,
0,
0
],
[
0,
0.29135295,
-0.27365899
],
[
0,
-0.27365897,
0.76288324
]
] | -146.983499 | -158.503499 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00026997,
-0.00983832,
-0.00334494
],
[
0.00026997,
0.00983832,
0.00334494
],
[
-0.00026997,
0.00983832,
0.00334494
],
[
-0.00026997,
-0.00983832,
-0.00334494
],
[
0.00046089,
0.00146715,
-0.01450342
],
[
0.00046089,
-0.00146715,
0.01450342
],
[
-0.00046089,
-0.00146715,
0.01450342
],
[
-0.00046089,
0.00146715,
-0.01450342
],
[
0.00425777,
-0.00110528,
-0.00446263
],
[
0.00425777,
0.00110528,
0.00446263
],
[
-0.00425777,
0.00110528,
0.00446263
],
[
-0.00425777,
-0.00110528,
-0.00446263
],
[
-0.0111841,
-0.00078519,
-0.00406499
],
[
-0.0111841,
0.00078519,
0.00406499
],
[
0.0111841,
0.00078519,
0.00406499
],
[
0.0111841,
-0.00078519,
-0.00406499
],
[
-0.00567074,
-0.00105887,
0.00468265
],
[
-0.00567074,
0.00105887,
-0.00468265
],
[
0.00567074,
0.00105887,
-0.00468265
],
[
0.00567074,
-0.00105887,
0.00468265
]
] |
pbe
| true | 15 |
agm005266151-pbe-449
| 449 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.51354698,
7.1693568,
-0.04203118
],
[
-3.51354698,
7.1693568,
-0.04203118
],
[
0,
3.93745575,
6.07835288
]
] |
agm005266151
|
[
[
1.75677349,
3.5846784,
-0.02101559
],
[
-1.75677349,
5.553406275,
3.0181608499999997
],
[
0.7925746492625941,
3.746231280592794,
2.675779944537071
],
[
0.7925746492625945,
12.561210194407206,
0.2793341354629286
],
[
-0.7925746492625945,
14.529938069407205,
3.3185105754629283
],
[
-0.7925746492625941,
5.714959155592794,
5.714956384537071
],
[
-2.7005154764266917,
10.355549955355526,
3.9552482378260567
],
[
-2.700515476426691,
9.889347269644475,
5.0782187221739425
],
[
2.700515476426691,
7.920619394644476,
2.0390422821739427
],
[
2.7005154764266917,
8.386822080355527,
0.9160717978260574
],
[
-2.0036511820471494,
10.265083113992691,
1.782228254540543
],
[
-2.0036511820471494,
6.042358361007309,
1.1728858254594567
],
[
2.0036511820471494,
8.011086236007309,
4.212062265459457
],
[
2.0036511820471494,
12.23381098899269,
4.821404694540543
],
[
0.1253400614299227,
4.78303709949563,
2.416245248205272
],
[
0.12534006142992205,
11.52440437550437,
0.5388688317947278
],
[
-0.12534006142992205,
13.49313225050437,
3.5780452717947275
],
[
-0.1253400614299227,
6.751764974495629,
5.455421688205272
],
[
-1.059005054576095,
13.108385139377353,
5.804303482288551
],
[
-1.0590050545760947,
7.1365120856226465,
3.2291634777114484
],
[
1.0590050545760947,
5.167784210622647,
0.1899870377114488
],
[
1.059005054576095,
11.139657264377353,
2.765127042288551
]
] |
[{"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
] |
[
[
2.64192332,
0,
0
],
[
0,
3.64530116,
-0.42337777
],
[
0,
-0.42337781,
4.81773282
]
] | -146.8293 | -158.3493 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01692082,
0.01292843,
-0.11576256
],
[
0.01692082,
-0.01292843,
0.11576256
],
[
-0.01692082,
-0.01292843,
0.11576256
],
[
-0.01692082,
0.01292843,
-0.11576256
],
[
0.02032816,
0.00069978,
0.06728816
],
[
0.02032816,
-0.00069978,
-0.06728816
],
[
-0.02032816,
-0.00069978,
-0.06728816
],
[
-0.02032816,
0.00069978,
0.06728816
],
[
0.05717977,
-0.06281693,
0.06712472
],
[
0.05717977,
0.06281693,
-0.06712472
],
[
-0.05717977,
0.06281693,
-0.06712472
],
[
-0.05717977,
-0.06281693,
0.06712472
],
[
0.00561511,
0.01962482,
0.07630432
],
[
0.00561511,
-0.01962482,
-0.07630432
],
[
-0.00561511,
-0.01962482,
-0.07630432
],
[
-0.00561511,
0.01962482,
0.07630432
],
[
0.02779116,
-0.01945729,
0.0055212
],
[
0.02779116,
0.01945729,
-0.0055212
],
[
-0.02779116,
0.01945729,
-0.0055212
],
[
-0.02779116,
-0.01945729,
0.0055212
]
] |
pbe
| true | 15 |
agm005266151-pbe-45
| 45 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25721117,
7.95295641,
0.0817165
],
[
-3.25721117,
7.95295641,
0.0817165
],
[
0,
4.46302834,
6.18818452
]
] |
agm005266151
|
[
[
1.628605585,
3.976478205,
0.04085825
],
[
-1.628605585,
6.207992375,
3.13495051
],
[
0.7672304235460643,
4.164413022181026,
2.7655505195990293
],
[
0.7672304235460641,
13.973013967818975,
0.4919747404009708
],
[
-0.7672304235460641,
16.204528137818976,
3.5860670004009703
],
[
-0.7672304235460643,
6.395927192181025,
5.859642779599029
],
[
-2.48031552603286,
11.54229124193929,
4.165231277546231
],
[
-2.48031552603286,
11.058164088060709,
5.28047850245377
],
[
2.48031552603286,
8.82664991806071,
2.1863862424537692
],
[
2.48031552603286,
9.31077707193929,
1.071139017546231
],
[
-1.8524874215731257,
11.41855681880681,
1.9687707463501065
],
[
-1.8524874215731262,
6.718870171193191,
1.2887545136498935
],
[
1.8524874215731262,
8.950384341193192,
4.382846773649893
],
[
1.8524874215731257,
13.650070988806808,
5.062863006350107
],
[
0.18707632751547665,
5.260401911407687,
2.544085959660002
],
[
0.18707632751547676,
12.877025078592311,
0.7134393003399983
],
[
-0.18707632751547676,
15.108539248592312,
3.8075315603399984
],
[
-0.18707632751547665,
7.491916081407687,
5.638178219660001
],
[
-0.7792627896128261,
14.880061583564041,
6.126614828698004
],
[
-0.7792627896128261,
7.720393746435957,
3.3190949513019974
],
[
0.7792627896128261,
5.4888795764359575,
0.2250026913019974
],
[
0.7792627896128261,
12.64854741356404,
3.0325225686980026
]
] |
[{"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
] |
[
[
0.09927917,
0,
0
],
[
0,
0.07803541,
-0.33890712
],
[
0,
-0.33890717,
0.79376967
]
] | -146.983509 | -158.503509 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00155234,
-0.01023674,
-0.00744873
],
[
-0.00155234,
0.01023674,
0.00744873
],
[
0.00155234,
0.01023674,
0.00744873
],
[
0.00155234,
-0.01023674,
-0.00744873
],
[
0.00105578,
-0.00479301,
0.0013686
],
[
0.00105578,
0.00479301,
-0.0013686
],
[
-0.00105578,
0.00479301,
-0.0013686
],
[
-0.00105578,
-0.00479301,
0.0013686
],
[
0.00244267,
0.00355907,
-0.00350362
],
[
0.00244267,
-0.00355907,
0.00350362
],
[
-0.00244267,
-0.00355907,
0.00350362
],
[
-0.00244267,
0.00355907,
-0.00350362
],
[
-0.00716043,
-0.00341103,
-0.00621761
],
[
-0.00716043,
0.00341103,
0.00621761
],
[
0.00716043,
0.00341103,
0.00621761
],
[
0.00716043,
-0.00341103,
-0.00621761
],
[
-0.00758041,
0.0024734,
0.00489942
],
[
-0.00758041,
-0.0024734,
-0.00489942
],
[
0.00758041,
-0.0024734,
-0.00489942
],
[
0.00758041,
0.0024734,
0.00489942
]
] |
pbe
| true | 15 |
agm005266151-pbe-450
| 450 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.2572204,
7.95298677,
0.08164228
],
[
-3.2572204,
7.95298677,
0.08164228
],
[
0,
4.46298499,
6.1884415
]
] |
agm005266151
|
[
[
1.6286102,
3.976493385,
0.04082114
],
[
-1.6286102,
6.20798588,
3.1350418899999997
],
[
0.767196637943288,
4.164307703486104,
2.7655772137470582
],
[
0.7671966379432877,
13.973158331513895,
0.491928096252942
],
[
-0.7671966379432877,
16.204650826513895,
3.5861488462529416
],
[
-0.767196637943288,
6.3958001984861035,
5.859797963747058
],
[
-2.480322098523108,
11.542258630548456,
4.165307023565271
],
[
-2.480322098523108,
11.058192394451542,
5.280639786434729
],
[
2.480322098523108,
8.826699899451542,
2.1864190364347293
],
[
2.480322098523108,
9.310766135548457,
1.0710862735652709
],
[
-1.8524940064502478,
11.41855474293332,
1.968737024379207
],
[
-1.8524940064502482,
6.7189112920666805,
1.288768285620793
],
[
1.8524940064502482,
8.95040378706668,
4.382989035620793
],
[
1.8524940064502478,
13.65004723793332,
5.062957774379207
],
[
0.18690670044230806,
5.2603189223451015,
2.544084639599276
],
[
0.18690670044230773,
12.877147112654896,
0.7134206704007242
],
[
-0.18690670044230773,
15.108639607654897,
3.8076414204007243
],
[
-0.18690670044230806,
7.491811417345101,
5.638305389599275
],
[
-0.7792131754429681,
14.88008422421757,
6.126849389067757
],
[
-0.779213175442968,
7.720366800782429,
3.319097420932243
],
[
0.779213175442968,
5.488874305782429,
0.2248766709322434
],
[
0.7792131754429681,
12.648591729217571,
3.0326286390677564
]
] |
[{"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
] |
[
[
0.06758863,
0,
0
],
[
0,
-0.05908752,
-0.25095409
],
[
0,
-0.2509541,
0.61241957
]
] | -146.98353 | -158.50353 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00367423,
-0.00747112,
-0.00530002
],
[
-0.00367423,
0.00747112,
0.00530002
],
[
0.00367423,
0.00747112,
0.00530002
],
[
0.00367423,
-0.00747112,
-0.00530002
],
[
0.00093255,
-0.00562597,
0.00308828
],
[
0.00093255,
0.00562597,
-0.00308828
],
[
-0.00093255,
0.00562597,
-0.00308828
],
[
-0.00093255,
-0.00562597,
0.00308828
],
[
0.00235764,
0.00334641,
-0.00351345
],
[
0.00235764,
-0.00334641,
0.00351345
],
[
-0.00235764,
-0.00334641,
0.00351345
],
[
-0.00235764,
0.00334641,
-0.00351345
],
[
-0.00564294,
-0.00763918,
-0.00533651
],
[
-0.00564294,
0.00763918,
0.00533651
],
[
0.00564294,
0.00763918,
0.00533651
],
[
0.00564294,
-0.00763918,
-0.00533651
],
[
-0.00721578,
0.00261992,
0.0053226
],
[
-0.00721578,
-0.00261992,
-0.0053226
],
[
0.00721578,
-0.00261992,
-0.0053226
],
[
0.00721578,
0.00261992,
0.0053226
]
] |
pbe
| true | 15 |
agm005266151-pbe-451
| 451 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25724811,
7.95307782,
0.08141962
],
[
-3.25724811,
7.95307782,
0.08141962
],
[
0,
4.46285492,
6.18921244
]
] |
agm005266151
|
[
[
1.628624055,
3.97653891,
0.04070981
],
[
-1.628624055,
6.207966369999999,
3.1353160300000003
],
[
0.767095284622251,
4.163991326352579,
2.7656571413113538
],
[
0.767095284622251,
13.97359177364742,
0.491788318688646
],
[
-0.767095284622251,
16.20501923364742,
3.5863945386886464
],
[
-0.767095284622251,
6.395418786352579,
5.860263361311354
],
[
-2.4803418963529857,
11.542160795212435,
4.165534320120233
],
[
-2.4803418963529857,
11.058277224787563,
5.281123579879767
],
[
2.4803418963529857,
8.826849764787564,
2.186517359879767
],
[
2.4803418963529857,
9.310733335212435,
1.0709281001202329
],
[
-1.8525138050742245,
11.418548303233347,
1.9686357270888457
],
[
-1.8525138050742243,
6.719034796766653,
1.2888097329111545
],
[
1.8525138050742243,
8.950462256766652,
4.383415952911155
],
[
1.8525138050742245,
13.649975763233346,
5.063241947088846
],
[
0.18639778200872936,
5.2600700185140274,
2.5440806467464125
],
[
0.18639778200872925,
12.877513081485972,
0.7133648132535877
],
[
-0.18639778200872925,
15.108940541485971,
3.8079710332535877
],
[
-0.18639778200872936,
7.491497478514027,
5.638686866746413
],
[
-0.7790643359547762,
14.880152033705382,
6.127553053804302
],
[
-0.779064335954776,
7.720285986294615,
3.3191048461956982
],
[
0.779064335954776,
5.4888585262946155,
0.2244986261956978
],
[
0.7790643359547762,
12.648724573705383,
3.0329468338043024
]
] |
[{"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
] |
[
[
-0.01646144,
0,
0
],
[
0,
-0.44995262,
0.00618544
],
[
0,
0.00618539,
0.09318781
]
] | -146.983572 | -158.503572 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01016761,
0.00122865,
0.00050188
],
[
-0.01016761,
-0.00122865,
-0.00050188
],
[
0.01016761,
-0.00122865,
-0.00050188
],
[
0.01016761,
0.00122865,
0.00050188
],
[
0.00079858,
-0.00753406,
0.00813483
],
[
0.00079858,
0.00753406,
-0.00813483
],
[
-0.00079858,
0.00753406,
-0.00813483
],
[
-0.00079858,
-0.00753406,
0.00813483
],
[
0.00183916,
0.00437962,
-0.00364221
],
[
0.00183916,
-0.00437962,
0.00364221
],
[
-0.00183916,
-0.00437962,
0.00364221
],
[
-0.00183916,
0.00437962,
-0.00364221
],
[
0.00225411,
-0.01933334,
-0.00260829
],
[
0.00225411,
0.01933334,
0.00260829
],
[
-0.00225411,
0.01933334,
0.00260829
],
[
-0.00225411,
-0.01933334,
-0.00260829
],
[
-0.00716134,
0.00313964,
0.00361127
],
[
-0.00716134,
-0.00313964,
-0.00361127
],
[
0.00716134,
-0.00313964,
-0.00361127
],
[
0.00716134,
0.00313964,
0.00361127
]
] |
pbe
| true | 15 |
agm005266151-pbe-452
| 452 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25730352,
7.95325994,
0.08097431
],
[
-3.25730352,
7.95325994,
0.08097431
],
[
0,
4.46259478,
6.19075434
]
] |
agm005266151
|
[
[
1.62865176,
3.97662997,
0.040487155
],
[
-1.62865176,
6.207927359999999,
3.135864325
],
[
0.7668925701192673,
4.163358637695859,
2.7658169446455707
],
[
0.7668925701192673,
13.97445863230414,
0.4915088453544292
],
[
-0.7668925701192673,
16.20575602230414,
3.5868860153544286
],
[
-0.7668925701192673,
6.394656027695859,
5.861194114645571
],
[
-2.480381451758371,
11.54196506587755,
4.165988921183965
],
[
-2.480381451758371,
11.05844698412245,
5.282091208816035
],
[
2.480381451758371,
8.82714959412245,
2.1867140388160355
],
[
2.480381451758371,
9.31066767587755,
1.0706117511839648
],
[
-1.8525533968409567,
11.41853565617467,
1.968433184143357
],
[
-1.8525533968409569,
6.719281613825329,
1.2888926058566428
],
[
1.8525533968409569,
8.950579003825329,
4.384269775856643
],
[
1.8525533968409567,
13.64983304617467,
5.0638103541433575
],
[
0.18537995108755678,
5.259572410604117,
2.5440726474147333
],
[
0.1853799510875569,
12.878244859395883,
0.7132531425852664
],
[
-0.1853799510875569,
15.109542249395883,
3.808630312585266
],
[
-0.18537995108755678,
7.490869800604117,
5.639449817414733
],
[
-0.7787666792250048,
14.88028767523663,
6.128960559676283
],
[
-0.7787666792250049,
7.720124374763369,
3.3191195703237164
],
[
0.7787666792250049,
5.488826984763369,
0.2237424003237164
],
[
0.7787666792250048,
12.64899028523663,
3.0335833896762834
]
] |
[{"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
] |
[
[
-0.19746455,
0,
0
],
[
0,
-1.25125775,
0.51363422
],
[
0,
0.51363438,
-0.95557936
]
] | -146.983543 | -158.503543 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.02291993,
0.0184566,
0.01221926
],
[
-0.02291993,
-0.0184566,
-0.01221926
],
[
0.02291993,
-0.0184566,
-0.01221926
],
[
0.02291993,
0.0184566,
0.01221926
],
[
0.00043733,
-0.01150749,
0.018073
],
[
0.00043733,
0.01150749,
-0.018073
],
[
-0.00043733,
0.01150749,
-0.018073
],
[
-0.00043733,
-0.01150749,
0.018073
],
[
0.00085987,
0.00564185,
-0.00322562
],
[
0.00085987,
-0.00564185,
0.00322562
],
[
-0.00085987,
-0.00564185,
0.00322562
],
[
-0.00085987,
0.00564185,
-0.00322562
],
[
0.01612019,
-0.04358006,
0.00248945
],
[
0.01612019,
0.04358006,
-0.00248945
],
[
-0.01612019,
0.04358006,
-0.00248945
],
[
-0.01612019,
-0.04358006,
0.00248945
],
[
-0.00621953,
0.00404719,
0.00186488
],
[
-0.00621953,
-0.00404719,
-0.00186488
],
[
0.00621953,
-0.00404719,
-0.00186488
],
[
0.00621953,
0.00404719,
0.00186488
]
] |
pbe
| true | 15 |
agm005266151-pbe-453
| 453 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25726436,
7.95313124,
0.08128902
],
[
-3.25726436,
7.95313124,
0.08128902
],
[
0,
4.46277862,
6.18966467
]
] |
agm005266151
|
[
[
1.62863218,
3.97656562,
0.04064451
],
[
-1.62863218,
6.20795493,
3.135476845
],
[
0.7670358229173614,
4.163805732178021,
2.7657039279706717
],
[
0.7670358229173613,
13.973846057821978,
0.4917064470293281
],
[
-0.7670358229173613,
16.205235367821977,
3.5865387820293284
],
[
-0.7670358229173614,
6.395195042178022,
5.860536262970672
],
[
-2.480353488722427,
11.542103325667338,
4.165667658366931
],
[
-2.480353488722427,
11.058327084332662,
5.28140738663307
],
[
2.480353488722427,
8.826937774332663,
2.18657505163307
],
[
2.480353488722427,
9.310714015667337,
1.0708353233669299
],
[
-1.8525254248349323,
11.418544679838295,
1.968576324683007
],
[
-1.8525254248349323,
6.719107110161706,
1.288834050316993
],
[
1.8525254248349323,
8.950496420161706,
4.383666385316993
],
[
1.8525254248349323,
13.649933989838294,
5.063408659683007
],
[
0.186099239038496,
5.2599240876525135,
2.5440782590593476
],
[
0.18609923903849568,
12.877727702347485,
0.7133321159406523
],
[
-0.18609923903849568,
15.109117012347486,
3.808164450940652
],
[
-0.186099239038496,
7.4913133976525135,
5.6389105940593485
],
[
-0.7789770192064085,
14.880191758943427,
6.127965937570141
],
[
-0.7789770192064084,
7.720238651056572,
3.3191091074298584
],
[
0.7789770192064084,
5.488849341056572,
0.22427677242985822
],
[
0.7789770192064085,
12.648802448943428,
3.033133602570142
]
] |
[{"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
] |
[
[
-0.08131396,
0,
0
],
[
0,
-0.69511797,
0.14941828
],
[
0,
0.14941836,
-0.21687024
]
] | -146.983579 | -158.503579 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01375767,
0.00630793,
0.00416513
],
[
-0.01375767,
-0.00630793,
-0.00416513
],
[
0.01375767,
-0.00630793,
-0.00416513
],
[
0.01375767,
0.00630793,
0.00416513
],
[
0.00069885,
-0.00862047,
0.01100444
],
[
0.00069885,
0.00862047,
-0.01100444
],
[
-0.00069885,
0.00862047,
-0.01100444
],
[
-0.00069885,
-0.00862047,
0.01100444
],
[
0.00155448,
0.00472592,
-0.00312928
],
[
0.00155448,
-0.00472592,
0.00312928
],
[
-0.00155448,
-0.00472592,
0.00312928
],
[
-0.00155448,
0.00472592,
-0.00312928
],
[
0.00571864,
-0.02657787,
-0.00121833
],
[
0.00571864,
0.02657787,
0.00121833
],
[
-0.00571864,
0.02657787,
0.00121833
],
[
-0.00571864,
-0.02657787,
-0.00121833
],
[
-0.00672186,
0.00348911,
0.0033509
],
[
-0.00672186,
-0.00348911,
-0.0033509
],
[
0.00672186,
-0.00348911,
-0.0033509
],
[
0.00672186,
0.00348911,
0.0033509
]
] |
pbe
| true | 15 |
agm005266151-pbe-454
| 454 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25726444,
7.95300573,
0.08126241
],
[
-3.25726444,
7.95300573,
0.08126241
],
[
0,
4.46268561,
6.18984825
]
] |
agm005266151
|
[
[
1.62863222,
3.976502865,
0.040631205
],
[
-1.62863222,
6.20784567,
3.13555533
],
[
0.7669663643056297,
4.163674720585772,
2.7657379691756354
],
[
0.7669663643056297,
13.973679544414228,
0.4917109758243645
],
[
-0.7669663643056297,
16.20502234941423,
3.586635100824364
],
[
-0.7669663643056297,
6.395017525585772,
5.860662094175636
],
[
-2.4803511066927872,
11.541851627177905,
4.165782424793214
],
[
-2.4803511066927872,
11.058188247822095,
5.281514770206785
],
[
2.4803511066927872,
8.826845442822094,
2.186590645206785
],
[
2.4803511066927872,
9.310508822177907,
1.0708582997932148
],
[
-1.8525218547703313,
11.418350219810161,
1.968575020224146
],
[
-1.8525218547703313,
6.719004045189841,
1.2888739247758538
],
[
1.8525218547703313,
8.950346850189842,
4.383798049775854
],
[
1.8525218547703313,
13.64969302481016,
5.063499145224146
],
[
0.18598273126016507,
5.25969064794216,
2.544079955589647
],
[
0.1859827312601654,
12.87766361705784,
0.7133689894103529
],
[
-0.1859827312601654,
15.10900642205784,
3.808293114410353
],
[
-0.18598273126016507,
7.49103345294216,
5.639004080589647
],
[
-0.7789565175724915,
14.879964713538378,
6.128184431111498
],
[
-0.7789565175724917,
7.720075161461624,
3.319112763888502
],
[
0.7789565175724917,
5.4887323564616235,
0.2241886388885022
],
[
0.7789565175724915,
12.648621908538379,
3.0332603061114978
]
] |
[{"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
] |
[
[
-0.01392571,
0,
0
],
[
0,
-0.57163085,
0.15782856
],
[
0,
0.15782857,
-0.25070704
]
] | -146.983596 | -158.503596 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01185127,
0.00308378,
0.00597306
],
[
-0.01185127,
-0.00308378,
-0.00597306
],
[
0.01185127,
-0.00308378,
-0.00597306
],
[
0.01185127,
0.00308378,
0.00597306
],
[
0.00082138,
-0.00571112,
0.00392626
],
[
0.00082138,
0.00571112,
-0.00392626
],
[
-0.00082138,
0.00571112,
-0.00392626
],
[
-0.00082138,
-0.00571112,
0.00392626
],
[
0.00149536,
0.00487274,
-0.00313803
],
[
0.00149536,
-0.00487274,
0.00313803
],
[
-0.00149536,
-0.00487274,
0.00313803
],
[
-0.00149536,
0.00487274,
-0.00313803
],
[
0.0046033,
-0.02349067,
-0.00147473
],
[
0.0046033,
0.02349067,
0.00147473
],
[
-0.0046033,
0.02349067,
0.00147473
],
[
-0.0046033,
-0.02349067,
-0.00147473
],
[
-0.00615554,
0.00318015,
0.00273265
],
[
-0.00615554,
-0.00318015,
-0.00273265
],
[
0.00615554,
-0.00318015,
-0.00273265
],
[
0.00615554,
0.00318015,
0.00273265
]
] |
pbe
| true | 15 |
agm005266151-pbe-455
| 455 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25726468,
7.95262921,
0.08118259
],
[
-3.25726468,
7.95262921,
0.08118259
],
[
0,
4.46240658,
6.19039899
]
] |
agm005266151
|
[
[
1.62863234,
3.976314605,
0.040591295
],
[
-1.62863234,
6.207517895,
3.13579079
],
[
0.7667579558773112,
4.16328146218939,
2.76584008003002
],
[
0.7667579558773108,
13.973180247810609,
0.4917245949699801
],
[
-0.7667579558773108,
16.204383537810607,
3.5869240899699806
],
[
-0.7667579558773112,
6.39448475218939,
5.86103957503002
],
[
-2.480343960603148,
11.541096030075582,
4.166126679288512
],
[
-2.480343960603148,
11.057772259924418,
5.281836985711488
],
[
2.480343960603148,
8.826568969924418,
2.186637490711488
],
[
2.480343960603148,
9.309892740075583,
1.070927184288512
],
[
-1.8525111771481089,
11.417767023586139,
1.9685712355711744
],
[
-1.8525111771481084,
6.718694686413858,
1.2889934394288258
],
[
1.8525111771481084,
8.949897976413858,
4.3841929344288255
],
[
1.8525111771481089,
13.648970313586139,
5.063770730571175
],
[
0.1856332730361271,
5.258990114238168,
2.5440849066057303
],
[
0.1856332730361272,
12.877471595761833,
0.7134797683942697
],
[
-0.1856332730361272,
15.108674885761832,
3.80867926339427
],
[
-0.1856332730361271,
7.490193404238168,
5.63928440160573
],
[
-0.7788949475193994,
14.879283581638667,
6.128839952831516
],
[
-0.7788949475193996,
7.71958470836133,
3.3191237121684845
],
[
0.7788949475193996,
5.488381418361331,
0.22392421716848449
],
[
0.7788949475193994,
12.648080291638667,
3.033640457831516
]
] |
[{"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
] |
[
[
0.06546774,
0,
0
],
[
0,
-0.34390132,
0.1791532
],
[
0,
0.17915313,
-0.44660706
]
] | -146.983631 | -158.503631 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00640465,
-0.00671753,
0.01258752
],
[
-0.00640465,
0.00671753,
-0.01258752
],
[
0.00640465,
0.00671753,
-0.01258752
],
[
0.00640465,
-0.00671753,
0.01258752
],
[
0.00045932,
0.00285482,
-0.01704121
],
[
0.00045932,
-0.00285482,
0.01704121
],
[
-0.00045932,
-0.00285482,
0.01704121
],
[
-0.00045932,
0.00285482,
-0.01704121
],
[
0.0009083,
0.00350033,
-0.00186279
],
[
0.0009083,
-0.00350033,
0.00186279
],
[
-0.0009083,
-0.00350033,
0.00186279
],
[
-0.0009083,
0.00350033,
-0.00186279
],
[
-0.00013048,
-0.01555407,
-0.00189674
],
[
-0.00013048,
0.01555407,
0.00189674
],
[
0.00013048,
0.01555407,
0.00189674
],
[
0.00013048,
-0.01555407,
-0.00189674
],
[
-0.00467331,
0.00091648,
0.00236976
],
[
-0.00467331,
-0.00091648,
-0.00236976
],
[
0.00467331,
-0.00091648,
-0.00236976
],
[
0.00467331,
0.00091648,
0.00236976
]
] |
pbe
| true | 15 |
agm005266151-pbe-456
| 456 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25726517,
7.95187617,
0.08102295
],
[
-3.25726517,
7.95187617,
0.08102295
],
[
0,
4.46184853,
6.19150048
]
] |
agm005266151
|
[
[
1.628632585,
3.975938085,
0.040511475
],
[
-1.628632585,
6.20686235,
3.1362617150000003
],
[
0.7663411738538795,
4.1624950843635515,
2.766044248164542
],
[
0.7663411738538795,
13.972181520636447,
0.4917518918354579
],
[
-0.7663411738538795,
16.20310578563645,
3.587502131835458
],
[
-0.7663411738538795,
6.393419349363551,
5.861794488164543
],
[
-2.4803297086080436,
11.53958507854288,
4.166815185668538
],
[
-2.4803297086080436,
11.05694005645712,
5.282481434331462
],
[
2.4803297086080436,
8.82601579145712,
2.1867311943314616
],
[
2.4803297086080436,
9.30866081354288,
1.0710649456685384
],
[
-1.8524898275861383,
11.416600485948102,
1.9685636291899578
],
[
-1.8524898275861383,
6.718076119051899,
1.2892325108100424
],
[
1.8524898275861383,
8.9490003840519,
4.3849827508100425
],
[
1.8524898275861383,
13.6475247509481,
5.064313869189958
],
[
0.1849343895739649,
5.257589148309208,
2.5440947950674504
],
[
0.1849343895739648,
12.877087456690793,
0.7137013449325499
],
[
-0.1849343895739648,
15.108011721690794,
3.8094515849325497
],
[
-0.1849343895739649,
7.4885134133092075,
5.63984503506745
],
[
-0.778771809776847,
14.87792124273332,
6.130151069381371
],
[
-0.7787718097768471,
7.718603892266682,
3.3191455506186283
],
[
0.7787718097768471,
5.487679627266682,
0.22339531061862852
],
[
0.778771809776847,
12.64699697773332,
3.034400829381372
]
] |
[{"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
] |
[
[
0.24208629,
0,
0
],
[
0,
0.14073794,
0.21870083
],
[
0,
0.21870082,
-0.81324631
]
] | -146.983621 | -158.503621 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00484773,
-0.02585049,
0.02548266
],
[
0.00484773,
0.02585049,
-0.02548266
],
[
-0.00484773,
0.02585049,
-0.02548266
],
[
-0.00484773,
-0.02585049,
0.02548266
],
[
0.00025404,
0.02024544,
-0.05923532
],
[
0.00025404,
-0.02024544,
0.05923532
],
[
-0.00025404,
-0.02024544,
0.05923532
],
[
-0.00025404,
0.02024544,
-0.05923532
],
[
0.00013949,
0.00167088,
0.00080681
],
[
0.00013949,
-0.00167088,
-0.00080681
],
[
-0.00013949,
-0.00167088,
-0.00080681
],
[
-0.00013949,
0.00167088,
0.00080681
],
[
-0.00920777,
0.0007426,
-0.00307647
],
[
-0.00920777,
-0.0007426,
0.00307647
],
[
0.00920777,
-0.0007426,
0.00307647
],
[
0.00920777,
0.0007426,
-0.00307647
],
[
-0.00116439,
-0.00333726,
0.0009109
],
[
-0.00116439,
0.00333726,
-0.0009109
],
[
0.00116439,
0.00333726,
-0.0009109
],
[
0.00116439,
-0.00333726,
0.0009109
]
] |
pbe
| true | 15 |
agm005266151-pbe-457
| 457 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25726487,
7.9523425,
0.08112181
],
[
-3.25726487,
7.9523425,
0.08112181
],
[
0,
4.46219411,
6.19081837
]
] |
agm005266151
|
[
[
1.628632435,
3.97617125,
0.040560905
],
[
-1.628632435,
6.207268305,
3.13597009
],
[
0.7665992740860706,
4.16298204740635,
2.765917800080764
],
[
0.766599274086071,
13.97280000759365,
0.49173500491923605
],
[
-0.766599274086071,
16.20389706259365,
3.5871441899192362
],
[
-0.7665992740860706,
6.39407910240635,
5.861326985080764
],
[
-2.48033853536154,
11.540520754608629,
4.166388808328997
],
[
-2.4803385353615406,
11.057455410391372,
5.282082366671002
],
[
2.4803385353615406,
8.826358355391372,
2.1866731816710034
],
[
2.48033853536154,
9.309423699608628,
1.0709796233289968
],
[
-1.8525030443270982,
11.41732291392924,
1.9685683649690124
],
[
-1.852503044327098,
6.718459141070759,
1.2890844400309875
],
[
1.852503044327098,
8.949556196070759,
4.384493625030987
],
[
1.8525030443270982,
13.648419968929241,
5.063977549969013
],
[
0.18536719789709954,
5.25845675792318,
2.5440886611573763
],
[
0.18536719789709988,
12.877325297076819,
0.7135641438426237
],
[
-0.18536719789709988,
15.10842235207682,
3.8089733288426233
],
[
-0.18536719789709954,
7.48955381292318,
5.639497846157377
],
[
-0.7788480557664623,
14.878764859629783,
6.129339167626447
],
[
-0.7788480557664622,
7.719211305370218,
3.3191320073735526
],
[
0.7788480557664622,
5.488114250370217,
0.22372282237355268
],
[
0.7788480557664623,
12.647667804629783,
3.033929982626447
]
] |
[{"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
] |
[
[
0.12873008,
0,
0
],
[
0,
-0.16749472,
0.1933142
],
[
0,
0.19331419,
-0.5791121
]
] | -146.983641 | -158.503641 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00211541,
-0.01364691,
0.01761931
],
[
-0.00211541,
0.01364691,
-0.01761931
],
[
0.00211541,
0.01364691,
-0.01761931
],
[
0.00211541,
-0.01364691,
0.01761931
],
[
0.00040382,
0.00960077,
-0.03326831
],
[
0.00040382,
-0.00960077,
0.03326831
],
[
-0.00040382,
-0.00960077,
0.03326831
],
[
-0.00040382,
0.00960077,
-0.03326831
],
[
0.00081704,
0.00278522,
-0.00099031
],
[
0.00081704,
-0.00278522,
0.00099031
],
[
-0.00081704,
-0.00278522,
0.00099031
],
[
-0.00081704,
0.00278522,
-0.00099031
],
[
-0.00406132,
-0.00960377,
-0.00229723
],
[
-0.00406132,
0.00960377,
0.00229723
],
[
0.00406132,
0.00960377,
0.00229723
],
[
0.00406132,
-0.00960377,
-0.00229723
],
[
-0.00346715,
-0.00045789,
0.00192245
],
[
-0.00346715,
0.00045789,
-0.00192245
],
[
0.00346715,
0.00045789,
-0.00192245
],
[
0.00346715,
-0.00045789,
0.00192245
]
] |
pbe
| true | 15 |
agm005266151-pbe-458
| 458 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25727623,
7.95214114,
0.08112659
],
[
-3.25727623,
7.95214114,
0.08112659
],
[
0,
4.46208311,
6.19098827
]
] |
agm005266151
|
[
[
1.628638115,
3.97607057,
0.040563295
],
[
-1.628638115,
6.207112125,
3.13605743
],
[
0.7665037407906657,
4.162763805935083,
2.765993802387799
],
[
0.7665037407906659,
13.972560029064917,
0.4917535126122013
],
[
-0.7665037407906659,
16.203601584064916,
3.5872476476122017
],
[
-0.7665037407906657,
6.393805360935083,
5.861487937387799
],
[
-2.480342755866399,
11.54018582098917,
4.166436940960263
],
[
-2.4803427558663986,
11.057221124010834,
5.282298644039737
],
[
2.4803427558663986,
8.826179569010833,
2.186804509039737
],
[
2.480342755866399,
9.30914426598917,
1.0709428059602633
],
[
-1.8525023065152266,
11.417032781104245,
1.9685923609770533
],
[
-1.8525023065152264,
6.718291053895756,
1.2891549540229468
],
[
1.8525023065152264,
8.949332608895755,
4.384649089022947
],
[
1.8525023065152266,
13.648074336104244,
5.064086495977054
],
[
0.1852016255756186,
5.258108860808454,
2.544071783309953
],
[
0.1852016255756186,
12.877214974191546,
0.7136755316900465
],
[
-0.1852016255756186,
15.108256529191546,
3.809169666690047
],
[
-0.1852016255756186,
7.489150415808454,
5.639565918309954
],
[
-0.7788338993772324,
14.878428001935902,
6.129615993395448
],
[
-0.7788338993772325,
7.718978943064101,
3.319119591604552
],
[
0.7788338993772325,
5.487937388064101,
0.2236254566045523
],
[
0.7788338993772324,
12.6473864469359,
3.034121858395448
]
] |
[{"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
] |
[
[
0.17536706,
0,
0
],
[
0,
-0.05186092,
0.22140808
],
[
0,
0.22140806,
-0.69287302
]
] | -146.983662 | -158.503662 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00032913,
-0.01522871,
0.0149787
],
[
0.00032913,
0.01522871,
-0.0149787
],
[
-0.00032913,
0.01522871,
-0.0149787
],
[
-0.00032913,
-0.01522871,
0.0149787
],
[
0.00045435,
0.00435833,
-0.02172596
],
[
0.00045435,
-0.00435833,
0.02172596
],
[
-0.00045435,
-0.00435833,
0.02172596
],
[
-0.00045435,
0.00435833,
-0.02172596
],
[
0.00087848,
0.00192591,
-0.00008727
],
[
0.00087848,
-0.00192591,
0.00008727
],
[
-0.00087848,
-0.00192591,
0.00008727
],
[
-0.00087848,
0.00192591,
-0.00008727
],
[
-0.00602361,
-0.0059504,
-0.00245348
],
[
-0.00602361,
0.0059504,
0.00245348
],
[
0.00602361,
0.0059504,
0.00245348
],
[
0.00602361,
-0.0059504,
-0.00245348
],
[
-0.00236531,
-0.00160367,
0.00177237
],
[
-0.00236531,
0.00160367,
-0.00177237
],
[
0.00236531,
0.00160367,
-0.00177237
],
[
0.00236531,
-0.00160367,
0.00177237
]
] |
pbe
| true | 15 |
agm005266151-pbe-459
| 459 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.51601842,
7.16827045,
-0.04027223
],
[
-3.51601842,
7.16827045,
-0.04027223
],
[
0,
3.93836104,
6.08016803
]
] |
agm005266151
|
[
[
1.75800921,
3.584135225,
-0.020136115
],
[
-1.75800921,
5.553315745,
3.0199479
],
[
0.792237357236766,
3.746516187926038,
2.676540583036607
],
[
0.792237357236766,
12.55920523207396,
0.2829989719633928
],
[
-0.792237357236766,
14.52838575207396,
3.323082986963393
],
[
-0.792237357236766,
5.715696707926038,
5.716624598036608
],
[
-2.7024492735285413,
10.35538508027513,
3.9586841314083054
],
[
-2.702449273528541,
9.888697379724869,
5.081023453591695
],
[
2.702449273528541,
7.919516859724869,
2.0409394385916944
],
[
2.7024492735285413,
8.38620456027513,
0.9186001164083054
],
[
-2.00554327076134,
10.263813955355836,
1.7858306180085421
],
[
-2.00554327076134,
6.041907464644163,
1.173708936991458
],
[
2.00554327076134,
8.011087984644163,
4.213792951991458
],
[
2.00554327076134,
12.232994475355836,
4.8259146330085425
],
[
0.12432416107941124,
4.782727275626469,
2.416280933983721
],
[
0.1243241610794108,
11.522994144373532,
0.5432586210162792
],
[
-0.1243241610794108,
13.492174664373533,
3.5833426360162792
],
[
-0.12432416107941124,
6.751907795626469,
5.456364948983722
],
[
-1.061457094486772,
13.106761371103712,
5.809495230805004
],
[
-1.061457094486772,
7.137321088896288,
3.230212354194997
],
[
1.061457094486772,
5.168140568896288,
0.19012833919499722
],
[
1.061457094486772,
11.137580851103712,
2.769411215805003
]
] |
[{"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
] |
[
[
2.27540472,
0,
0
],
[
0,
3.00346428,
-0.37686839
],
[
0,
-0.37686844,
4.35082277
]
] | -146.829404 | -158.349404 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.02141651,
0.00799219,
-0.09601698
],
[
0.02141651,
-0.00799219,
0.09601698
],
[
-0.02141651,
-0.00799219,
0.09601698
],
[
-0.02141651,
0.00799219,
-0.09601698
],
[
0.01615403,
0.02115573,
0.01641197
],
[
0.01615403,
-0.02115573,
-0.01641197
],
[
-0.01615403,
-0.02115573,
-0.01641197
],
[
-0.01615403,
0.02115573,
0.01641197
],
[
0.05304801,
-0.05496437,
0.05561507
],
[
0.05304801,
0.05496437,
-0.05561507
],
[
-0.05304801,
0.05496437,
-0.05561507
],
[
-0.05304801,
-0.05496437,
0.05561507
],
[
0.00706426,
0.01579144,
0.07652717
],
[
0.00706426,
-0.01579144,
-0.07652717
],
[
-0.00706426,
-0.01579144,
-0.07652717
],
[
-0.00706426,
0.01579144,
0.07652717
],
[
0.028032,
-0.01216311,
0.00510142
],
[
0.028032,
0.01216311,
-0.00510142
],
[
-0.028032,
0.01216311,
-0.00510142
],
[
-0.028032,
-0.01216311,
0.00510142
]
] |
pbe
| true | 15 |
agm005266151-pbe-46
| 46 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.2573103,
7.95153708,
0.08114092
],
[
-3.2573103,
7.95153708,
0.08114092
],
[
0,
4.46175012,
6.19149797
]
] |
agm005266151
|
[
[
1.62865515,
3.97576854,
0.04057046
],
[
-1.62865515,
6.2066436,
3.1363194450000003
],
[
0.766217069295897,
4.162108966971822,
2.7662218042988593
],
[
0.7662170692958972,
13.971840253028176,
0.4918090207011408
],
[
-0.7662170692958972,
16.202715313028175,
3.5875580057011414
],
[
-0.766217069295897,
6.392984026971821,
5.8619707892988595
],
[
-2.480355442153947,
11.53918118559422,
4.166581368073768
],
[
-2.480355442153947,
11.05651815440578,
5.282947426926233
],
[
2.480355442153947,
8.82564309440578,
2.1871984419262334
],
[
2.480355442153947,
9.30830612559422,
1.0708323830737667
],
[
-1.85250011966424,
11.416162739124282,
1.9686644517316108
],
[
-1.85250011966424,
6.717786480875718,
1.2893663732683895
],
[
1.85250011966424,
8.948661540875719,
4.38511535826839
],
[
1.85250011966424,
13.64703779912428,
5.064413436731611
],
[
0.18470499880702795,
5.2570651678419384,
2.5440211151116117
],
[
0.18470499880702818,
12.87688405215806,
0.7140097098883883
],
[
-0.18470499880702818,
15.10775911215806,
3.809758694888388
],
[
-0.18470499880702795,
7.487940227841938,
5.639770100111613
],
[
-0.7787913945393989,
14.877417647888425,
6.130446432476584
],
[
-0.7787913945393989,
7.718281692111573,
3.3190823625234156
],
[
0.7787913945393989,
5.487406632111573,
0.2233333775234156
],
[
0.7787913945393989,
12.646542587888426,
3.0346974474765847
]
] |
[{"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
] |
[
[
0.32395424,
0,
0
],
[
0,
0.29622438,
0.30686699
],
[
0,
0.30686701,
-1.00574136
]
] | -146.983694 | -158.503694 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00740695,
-0.01984173,
0.00710085
],
[
0.00740695,
0.01984173,
-0.00710085
],
[
-0.00740695,
0.01984173,
-0.00710085
],
[
-0.00740695,
-0.01984173,
0.00710085
],
[
0.00018897,
-0.01105808,
0.01312602
],
[
0.00018897,
0.01105808,
-0.01312602
],
[
-0.00018897,
0.01105808,
-0.01312602
],
[
-0.00018897,
-0.01105808,
0.01312602
],
[
0.00093854,
-0.00129346,
0.00225375
],
[
0.00093854,
0.00129346,
-0.00225375
],
[
-0.00093854,
0.00129346,
-0.00225375
],
[
-0.00093854,
-0.00129346,
0.00225375
],
[
-0.01221392,
0.00498048,
-0.00217253
],
[
-0.01221392,
-0.00498048,
0.00217253
],
[
0.01221392,
-0.00498048,
0.00217253
],
[
0.01221392,
0.00498048,
-0.00217253
],
[
0.00019498,
-0.00491464,
0.00065913
],
[
0.00019498,
0.00491464,
-0.00065913
],
[
-0.00019498,
0.00491464,
-0.00065913
],
[
-0.00019498,
-0.00491464,
0.00065913
]
] |
pbe
| true | 15 |
agm005266151-pbe-460
| 460 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25736873,
7.95140655,
0.08124769
],
[
-3.25736873,
7.95140655,
0.08124769
],
[
0,
4.46176014,
6.19148584
]
] |
agm005266151
|
[
[
1.628684365,
3.975703275,
0.040623845
],
[
-1.628684365,
6.206583345,
3.136366765
],
[
0.7661525066399435,
4.16185177480808,
2.766278796696433
],
[
0.7661525066399433,
13.97184139519192,
0.4919595033035669
],
[
-0.7661525066399433,
16.202721465191917,
3.587702423303567
],
[
-0.7661525066399435,
6.392731844808081,
5.862021716696433
],
[
-2.48039387634413,
11.538943234352352,
4.166671571241612
],
[
-2.48039387634413,
11.056510075647648,
5.2830525687583885
],
[
2.48039387634413,
8.825630005647646,
2.1873096487583883
],
[
2.48039387634413,
9.308063164352351,
1.0709286512416123
],
[
-1.852520548561475,
11.415992514946216,
1.968768295557872
],
[
-1.852520548561475,
6.717700655053783,
1.2894700044421281
],
[
1.852520548561475,
8.948580725053784,
4.385212924442128
],
[
1.852520548561475,
13.646872584946216,
5.064511215557872
],
[
0.18445814614769085,
5.256787156150286,
2.543950751589923
],
[
0.18445814614769063,
12.876906013849714,
0.7142875484100772
],
[
-0.18445814614769063,
15.107786083849714,
3.810030468410077
],
[
-0.18445814614769085,
7.487667226150286,
5.639693671589923
],
[
-0.7787849408854439,
14.877274967480474,
6.130700908529801
],
[
-0.7787849408854438,
7.718178342519526,
3.3190232314702
],
[
0.7787849408854438,
5.487298272519526,
0.2232803114702
],
[
0.7787849408854439,
12.646394897480475,
3.0349579885298
]
] |
[{"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
] |
[
[
0.33220955,
0,
0
],
[
0,
0.28968504,
0.2649201
],
[
0,
0.26492014,
-0.81761112
]
] | -146.983724 | -158.503724 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00574311,
-0.01343022,
0.00238506
],
[
0.00574311,
0.01343022,
-0.00238506
],
[
-0.00574311,
0.01343022,
-0.00238506
],
[
-0.00574311,
-0.01343022,
0.00238506
],
[
0.00024469,
-0.00931056,
0.00935202
],
[
0.00024469,
0.00931056,
-0.00935202
],
[
-0.00024469,
0.00931056,
-0.00935202
],
[
-0.00024469,
-0.00931056,
0.00935202
],
[
0.00159556,
-0.00268175,
0.00302775
],
[
0.00159556,
0.00268175,
-0.00302775
],
[
-0.00159556,
0.00268175,
-0.00302775
],
[
-0.00159556,
-0.00268175,
0.00302775
],
[
-0.01057155,
0.00190935,
-0.00083322
],
[
-0.01057155,
-0.00190935,
0.00083322
],
[
0.01057155,
-0.00190935,
0.00083322
],
[
0.01057155,
0.00190935,
-0.00083322
],
[
0.00098163,
-0.00512939,
0.00034066
],
[
0.00098163,
0.00512939,
-0.00034066
],
[
-0.00098163,
0.00512939,
-0.00034066
],
[
-0.00098163,
-0.00512939,
0.00034066
]
] |
pbe
| true | 15 |
agm005266151-pbe-461
| 461 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25746742,
7.95118606,
0.08142803
],
[
-3.25746742,
7.95118606,
0.08142803
],
[
0,
4.46177705,
6.19146535
]
] |
agm005266151
|
[
[
1.62873371,
3.97559303,
0.040714015
],
[
-1.62873371,
6.206481555,
3.1364466899999996
],
[
0.7660434333632227,
4.161417230735543,
2.766375090771495
],
[
0.7660434333632229,
13.971843414264459,
0.49221364422850505
],
[
-0.7660434333632229,
16.20273193926446,
3.587946319228505
],
[
-0.7660434333632227,
6.392305755735543,
5.862107765771495
],
[
-2.480458895255618,
11.538541155085355,
4.16682385387675
],
[
-2.480458895255618,
11.056496539914644,
5.28323023112325
],
[
2.480458895255618,
8.825608014914645,
2.18749755612325
],
[
2.480458895255618,
9.307652630085355,
1.0710911788767496
],
[
-1.8525550782203806,
11.415704903775168,
1.9689437588229508
],
[
-1.852555078220381,
6.717555741224833,
1.289644976177049
],
[
1.852555078220381,
8.948444266224833,
4.385377651177049
],
[
1.8525550782203806,
13.646593428775168,
5.06467643382295
],
[
0.184041208662015,
5.256317504070445,
2.54383178399041
],
[
0.1840412086620149,
12.876943140929555,
0.7147569510095898
],
[
-0.1840412086620149,
15.107831665929556,
3.8104896260095895
],
[
-0.184041208662015,
7.487206029070445,
5.63956445899041
],
[
-0.7787740069366731,
14.877033918745592,
6.13113061935375
],
[
-0.7787740069366731,
7.718003776254407,
3.318923465646249
],
[
0.7787740069366731,
5.487115251254407,
0.22319079064624928
],
[
0.7787740069366731,
12.646145393745591,
3.0353979443537504
]
] |
[{"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
] |
[
[
0.34589007,
0,
0
],
[
0,
0.26376482,
0.19774528
],
[
0,
0.19774523,
-0.51965421
]
] | -146.983763 | -158.503763 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00250088,
-0.00290929,
-0.00564574
],
[
0.00250088,
0.00290929,
0.00564574
],
[
-0.00250088,
0.00290929,
0.00564574
],
[
-0.00250088,
-0.00290929,
-0.00564574
],
[
-0.00043149,
-0.00626445,
0.00308883
],
[
-0.00043149,
0.00626445,
-0.00308883
],
[
0.00043149,
0.00626445,
-0.00308883
],
[
0.00043149,
-0.00626445,
0.00308883
],
[
0.00186362,
-0.00598491,
0.00477774
],
[
0.00186362,
0.00598491,
-0.00477774
],
[
-0.00186362,
0.00598491,
-0.00477774
],
[
-0.00186362,
-0.00598491,
0.00477774
],
[
-0.00765756,
-0.00383729,
0.00184241
],
[
-0.00765756,
0.00383729,
-0.00184241
],
[
0.00765756,
0.00383729,
-0.00184241
],
[
0.00765756,
-0.00383729,
0.00184241
],
[
0.00195347,
-0.00616059,
0.00004921
],
[
0.00195347,
0.00616059,
-0.00004921
],
[
-0.00195347,
0.00616059,
-0.00004921
],
[
-0.00195347,
-0.00616059,
0.00004921
]
] |
pbe
| true | 15 |
agm005266151-pbe-462
| 462 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.2576648,
7.95074507,
0.08178872
],
[
-3.2576648,
7.95074507,
0.08178872
],
[
0,
4.46181087,
6.19142437
]
] |
agm005266151
|
[
[
1.6288324,
3.975372535,
0.04089436
],
[
-1.6288324,
6.20627797,
3.136606545
],
[
0.7658252301863281,
4.160548246405001,
2.7665675615625704
],
[
0.7658252301863282,
13.971847328595,
0.4927220634374298
],
[
-0.7658252301863282,
16.202752763595,
3.588434248437429
],
[
-0.7658252301863281,
6.391453681405001,
5.862279746562571
],
[
-2.480588866083744,
11.537737214673824,
4.16712847299393
],
[
-2.480588866083744,
11.056469230326176,
5.28358552200607
],
[
2.480588866083744,
8.825563795326177,
2.1878733370060695
],
[
2.480588866083744,
9.306831779673823,
1.0714162879939306
],
[
-1.8526241661889518,
11.415129744104217,
1.9692947025512206
],
[
-1.852624166188952,
6.717265830895781,
1.2899949224487794
],
[
1.852624166188952,
8.94817126589578,
4.38570710744878
],
[
1.8526241661889518,
13.646035179104217,
5.0650068875512195
],
[
0.183207224307536,
5.2553781986552535,
2.543593884370767
],
[
0.183207224307536,
12.877017376344746,
0.7156957406292332
],
[
-0.183207224307536,
15.107922811344746,
3.8114079256292333
],
[
-0.183207224307536,
7.486283633655253,
5.639306069370766
],
[
-0.7787521327624483,
14.876551920365259,
6.131990157816839
],
[
-0.778752132762448,
7.7176545246347406,
3.3187238371831618
],
[
0.778752132762448,
5.48674908963474,
0.2230116521831613
],
[
0.7787521327624483,
12.64564648536526,
3.0362779728168388
]
] |
[{"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
] |
[
[
0.38439731,
0,
0
],
[
0,
0.23685106,
0.06013294
],
[
0,
0.06013288,
0.10572384
]
] | -146.983783 | -158.503783 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00364087,
0.01893824,
-0.02193979
],
[
-0.00364087,
-0.01893824,
0.02193979
],
[
0.00364087,
-0.01893824,
0.02193979
],
[
0.00364087,
0.01893824,
-0.02193979
],
[
-0.00105551,
0.00007873,
-0.00973588
],
[
-0.00105551,
-0.00007873,
0.00973588
],
[
0.00105551,
-0.00007873,
0.00973588
],
[
0.00105551,
0.00007873,
-0.00973588
],
[
0.00323674,
-0.01146478,
0.0075089
],
[
0.00323674,
0.01146478,
-0.0075089
],
[
-0.00323674,
0.01146478,
-0.0075089
],
[
-0.00323674,
-0.01146478,
0.0075089
],
[
-0.00204368,
-0.01448737,
0.00682833
],
[
-0.00204368,
0.01448737,
-0.00682833
],
[
0.00204368,
0.01448737,
-0.00682833
],
[
0.00204368,
-0.01448737,
0.00682833
],
[
0.00416897,
-0.00734068,
-0.00093384
],
[
0.00416897,
0.00734068,
0.00093384
],
[
-0.00416897,
0.00734068,
0.00093384
],
[
-0.00416897,
-0.00734068,
-0.00093384
]
] |
pbe
| true | 15 |
agm005266151-pbe-463
| 463 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25760703,
7.95087415,
0.08168315
],
[
-3.25760703,
7.95087415,
0.08168315
],
[
0,
4.46180097,
6.19143636
]
] |
agm005266151
|
[
[
1.628803515,
3.975437075,
0.040841575
],
[
-1.628803515,
6.20633756,
3.136559755
],
[
0.7658890501203262,
4.160802615573379,
2.7665112152774167
],
[
0.7658890501203262,
13.97184616942662,
0.4925732647225831
],
[
-0.7658890501203262,
16.20274665442662,
3.588291444722583
],
[
-0.7658890501203262,
6.3917031005733795,
5.862229395277417
],
[
-2.480550805252623,
11.537972573891691,
4.167039291969721
],
[
-2.480550805252623,
11.056477181108308,
5.283481548030279
],
[
2.480550805252623,
8.825576696108307,
2.1877633680302786
],
[
2.480550805252623,
9.307072088891692,
1.0713211119697212
],
[
-1.852603952079116,
11.41529814113108,
1.9691919652468937
],
[
-1.8526039520791158,
6.71735064386892,
1.2898925147531062
],
[
1.8526039520791158,
8.94825112886892,
4.385610694753106
],
[
1.852603952079116,
13.64619862613108,
5.064910145246894
],
[
0.18345135806876278,
5.255653169730149,
2.543663536557106
],
[
0.1834513580687629,
12.876995615269852,
0.715420943442894
],
[
-0.1834513580687629,
15.107896100269851,
3.811139123442894
],
[
-0.18345135806876278,
7.486553654730149,
5.639381716557106
],
[
-0.778758552453044,
14.876693013528536,
6.131738563575762
],
[
-0.778758552453044,
7.717756741471463,
3.318782276424237
],
[
0.778758552453044,
5.486856256471464,
0.22306409642423689
],
[
0.778758552453044,
12.645792528528537,
3.036020383575763
]
] |
[{"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
] |
[
[
0.39575414,
0,
0
],
[
0,
0.27081581,
0.10143368
],
[
0,
0.10143372,
-0.05583954
]
] | -146.983783 | -158.503783 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00195224,
0.01285469,
-0.01729631
],
[
-0.00195224,
-0.01285469,
0.01729631
],
[
0.00195224,
-0.01285469,
0.01729631
],
[
0.00195224,
0.01285469,
-0.01729631
],
[
-0.00092656,
-0.00166658,
-0.00610425
],
[
-0.00092656,
0.00166658,
0.00610425
],
[
0.00092656,
0.00166658,
0.00610425
],
[
0.00092656,
-0.00166658,
-0.00610425
],
[
0.00301625,
-0.00975216,
0.00614788
],
[
0.00301625,
0.00975216,
-0.00614788
],
[
-0.00301625,
0.00975216,
-0.00614788
],
[
-0.00301625,
-0.00975216,
0.00614788
],
[
-0.00451457,
-0.01145648,
0.00538593
],
[
-0.00451457,
0.01145648,
-0.00538593
],
[
0.00451457,
0.01145648,
-0.00538593
],
[
0.00451457,
-0.01145648,
0.00538593
],
[
0.00312953,
-0.00643679,
-0.00037324
],
[
0.00312953,
0.00643679,
0.00037324
],
[
-0.00312953,
0.00643679,
0.00037324
],
[
-0.00312953,
-0.00643679,
-0.00037324
]
] |
pbe
| true | 15 |
agm005266151-pbe-464
| 464 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25778934,
7.95085983,
0.08189516
],
[
-3.25778934,
7.95085983,
0.08189516
],
[
0,
4.46195812,
6.1914277
]
] |
agm005266151
|
[
[
1.62889467,
3.975429915,
0.04094758
],
[
-1.62889467,
6.206408975,
3.13666143
],
[
0.7658054126760336,
4.160663048599485,
2.7664626333493603
],
[
0.7658054126760336,
13.972035671400514,
0.49304153665064
],
[
-0.7658054126760336,
16.203014731400515,
3.58875538665064
],
[
-0.7658054126760336,
6.391642108599485,
5.8621764833493595
],
[
-2.48068920426008,
11.537901399233464,
4.167185949289087
],
[
-2.4806892042600794,
11.056755440766537,
5.2837459207109125
],
[
2.4806892042600794,
8.825776380766536,
2.1880320707109124
],
[
2.48068920426008,
9.306922339233463,
1.0714720992890874
],
[
-1.8526637169344224,
11.415232041857548,
1.9694721518203635
],
[
-1.8526637169344227,
6.717466678142454,
1.290032018179637
],
[
1.8526637169344227,
8.948445738142453,
4.3857458681796375
],
[
1.8526637169344224,
13.646211101857547,
5.065186001820363
],
[
0.18307228640863504,
5.255295911610587,
2.543641814171262
],
[
0.1830722864086347,
12.877402808389412,
0.7158623558287383
],
[
-0.1830722864086347,
15.108381868389413,
3.8115762058287386
],
[
-0.18307228640863504,
7.486274971610587,
5.639355664171262
],
[
-0.778746459582889,
14.876800172982426,
6.1321825688745975
],
[
-0.7787464595828893,
7.717856667017573,
3.318749301125403
],
[
0.7787464595828893,
5.486877607017572,
0.22303545112540202
],
[
0.778746459582889,
12.645821112982425,
3.0364687188745982
]
] |
[{"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
] |
[
[
0.40819709,
0,
0
],
[
0,
0.26807473,
0.05884556
],
[
0,
0.05884559,
0.07100037
]
] | -146.983818 | -158.503818 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00140609,
0.01135299,
-0.01544673
],
[
-0.00140609,
-0.01135299,
0.01544673
],
[
0.00140609,
-0.01135299,
0.01544673
],
[
0.00140609,
0.01135299,
-0.01544673
],
[
-0.00100616,
-0.00078679,
-0.00647348
],
[
-0.00100616,
0.00078679,
0.00647348
],
[
0.00100616,
0.00078679,
0.00647348
],
[
0.00100616,
-0.00078679,
-0.00647348
],
[
0.00335264,
-0.00987822,
0.0044922
],
[
0.00335264,
0.00987822,
-0.0044922
],
[
-0.00335264,
0.00987822,
-0.0044922
],
[
-0.00335264,
-0.00987822,
0.0044922
],
[
-0.00429162,
-0.00846101,
0.00359379
],
[
-0.00429162,
0.00846101,
-0.00359379
],
[
0.00429162,
0.00846101,
-0.00359379
],
[
0.00429162,
-0.00846101,
0.00359379
],
[
0.00346555,
-0.00548516,
-0.00093463
],
[
0.00346555,
0.00548516,
0.00093463
],
[
-0.00346555,
0.00548516,
0.00093463
],
[
-0.00346555,
-0.00548516,
-0.00093463
]
] |
pbe
| true | 15 |
agm005266151-pbe-465
| 465 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25833629,
7.95081686,
0.08253119
],
[
-3.25833629,
7.95081686,
0.08253119
],
[
0,
4.46242956,
6.19140172
]
] |
agm005266151
|
[
[
1.629168145,
3.97540843,
0.041265595
],
[
-1.629168145,
6.20662321,
3.136966455
],
[
0.7655542571762249,
4.160244188276886,
2.766316784273354
],
[
0.7655542571762246,
13.972604311723114,
0.4944464557266458
],
[
-0.7655542571762246,
16.203819091723112,
3.5901473157266457
],
[
-0.7655542571762249,
6.391458968276886,
5.8620176442733545
],
[
-2.4811043836439555,
11.537687757507845,
4.167625888239715
],
[
-2.481104383643955,
11.057590302492155,
5.284539071760285
],
[
2.481104383643955,
8.826375522492155,
2.1888382117602845
],
[
2.4811043836439555,
9.306472977507845,
1.0719250282397152
],
[
-1.8528429607994523,
11.415033973858238,
1.9703126797186603
],
[
-1.8528429607994523,
6.717814526141762,
1.2904505602813399
],
[
1.8528429607994523,
8.949029306141762,
4.386151420281339
],
[
1.8528429607994523,
13.646248753858238,
5.066013539718661
],
[
0.18193494142402034,
5.25422423754841,
2.5435767264466635
],
[
0.1819349414240201,
12.87862426245159,
0.7171865135533364
],
[
-0.1819349414240201,
15.10983904245159,
3.8128873735533357
],
[
-0.18193494142402034,
7.48543901754841,
5.6392775864466635
],
[
-0.7787103112809062,
14.877121604837214,
6.133514532575741
],
[
-0.7787103112809064,
7.718156455162785,
3.3186504274242585
],
[
0.7787103112809064,
5.486941675162785,
0.2229495674242592
],
[
0.7787103112809062,
12.645906824837214,
3.0378136725757408
]
] |
[{"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
] |
[
[
0.49972692,
0,
0
],
[
0,
0.32617328,
-0.06384693
],
[
0,
-0.06384698,
0.50191124
]
] | -146.983889 | -158.503889 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00033246,
0.0079698,
-0.01006794
],
[
-0.00033246,
-0.0079698,
0.01006794
],
[
0.00033246,
-0.0079698,
0.01006794
],
[
0.00033246,
0.0079698,
-0.01006794
],
[
-0.00144565,
0.00193046,
-0.00788495
],
[
-0.00144565,
-0.00193046,
0.00788495
],
[
0.00144565,
-0.00193046,
0.00788495
],
[
0.00144565,
0.00193046,
-0.00788495
],
[
0.00476761,
-0.01000996,
-0.00187329
],
[
0.00476761,
0.01000996,
0.00187329
],
[
-0.00476761,
0.01000996,
0.00187329
],
[
-0.00476761,
-0.01000996,
-0.00187329
],
[
-0.00590703,
-0.00013092,
-0.00158188
],
[
-0.00590703,
0.00013092,
0.00158188
],
[
0.00590703,
0.00013092,
0.00158188
],
[
0.00590703,
-0.00013092,
-0.00158188
],
[
0.00339493,
-0.00135955,
-0.00178451
],
[
0.00339493,
0.00135955,
0.00178451
],
[
-0.00339493,
0.00135955,
0.00178451
],
[
-0.00339493,
-0.00135955,
-0.00178451
]
] |
pbe
| true | 15 |
agm005266151-pbe-466
| 466 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.2594302,
7.95073092,
0.08380325
],
[
-3.2594302,
7.95073092,
0.08380325
],
[
0,
4.46337243,
6.19134976
]
] |
agm005266151
|
[
[
1.6297151,
3.97536546,
0.041901625
],
[
-1.6297151,
6.207051675,
3.1375765049999997
],
[
0.7650517616402961,
4.15940638140251,
2.76602496551196
],
[
0.7650517616402959,
13.97374167359749,
0.4972564144880398
],
[
-0.7650517616402959,
16.20542788859749,
3.59293129448804
],
[
-0.7650517616402961,
6.39109259640251,
5.86169984551196
],
[
-2.481934781307956,
11.537260497832271,
4.168505684034629
],
[
-2.4819347813079564,
11.059259987167728,
5.2861254559653705
],
[
2.4819347813079564,
8.827573772167728,
2.190450575965371
],
[
2.481934781307956,
9.305574282832271,
1.0728308040346288
],
[
-1.85320135406471,
11.414637627710281,
1.9719935787744296
],
[
-1.8532013540647103,
6.718510427289718,
1.2912878012255702
],
[
1.8532013540647103,
8.950196642289718,
4.38696268122557
],
[
1.85320135406471,
13.64632384271028,
5.067668458774429
],
[
0.17965946668097998,
5.25208081674513,
2.543446134515261
],
[
0.1796594666809801,
12.88106723825487,
0.719835245484739
],
[
-0.1796594666809801,
15.112753453254872,
3.815510125484739
],
[
-0.17965946668097998,
7.4837670317451295,
5.63912101451526
],
[
-0.7786378489771442,
14.877764755367414,
6.136178290688137
],
[
-0.778637848977144,
7.718755729632585,
3.3184528493118624
],
[
0.778637848977144,
5.487069514632585,
0.22277796931186278
],
[
0.7786378489771442,
12.646078540367414,
3.040503410688137
]
] |
[{"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
] |
[
[
0.6867563,
0,
0
],
[
0,
0.44130288,
-0.3049164
],
[
0,
-0.30491638,
1.35405547
]
] | -146.983912 | -158.503912 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.0021006,
0.00070527,
0.00078731
],
[
0.0021006,
-0.00070527,
-0.00078731
],
[
-0.0021006,
-0.00070527,
-0.00078731
],
[
-0.0021006,
0.00070527,
0.00078731
],
[
-0.0022795,
0.00713812,
-0.01021917
],
[
-0.0022795,
-0.00713812,
0.01021917
],
[
0.0022795,
-0.00713812,
0.01021917
],
[
0.0022795,
0.00713812,
-0.01021917
],
[
0.00751911,
-0.01032769,
-0.01445562
],
[
0.00751911,
0.01032769,
0.01445562
],
[
-0.00751911,
0.01032769,
0.01445562
],
[
-0.00751911,
-0.01032769,
-0.01445562
],
[
-0.00917376,
0.01625115,
-0.01218844
],
[
-0.00917376,
-0.01625115,
0.01218844
],
[
0.00917376,
-0.01625115,
0.01218844
],
[
0.00917376,
0.01625115,
-0.01218844
],
[
0.00352707,
0.00679958,
-0.00345447
],
[
0.00352707,
-0.00679958,
0.00345447
],
[
-0.00352707,
-0.00679958,
0.00345447
],
[
-0.00352707,
0.00679958,
-0.00345447
]
] |
pbe
| true | 15 |
agm005266151-pbe-467
| 467 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25901038,
7.9507639,
0.08331506
],
[
-3.25901038,
7.9507639,
0.08331506
],
[
0,
4.46301057,
6.1913697
]
] |
agm005266151
|
[
[
1.62950519,
3.97538195,
0.04165753
],
[
-1.62950519,
6.206887235,
3.13734238
],
[
0.7652445772361745,
4.159727966516745,
2.7661369836282304
],
[
0.7652445772361745,
13.973305118483255,
0.49617798637176963
],
[
-0.7652445772361745,
16.204810403483254,
3.591862836371769
],
[
-0.7652445772361745,
6.391233251516745,
5.861821833628231
],
[
-2.4816161142968745,
11.537424509841522,
4.168168035103378
],
[
-2.481616114296874,
11.058619145158477,
5.285516634896623
],
[
2.481616114296874,
8.827113860158478,
2.1898317848966227
],
[
2.4816161142968745,
9.305919224841523,
1.0724831851033774
],
[
-1.8530638183477939,
11.41478974431624,
1.9713485129383297
],
[
-1.853063818347794,
6.7182433406837605,
1.2909664570616703
],
[
1.853063818347794,
8.94974862568376,
4.38665130706167
],
[
1.8530638183477939,
13.64629502931624,
5.06703336293833
],
[
0.18053261927926956,
5.252903503925777,
2.543496216754798
],
[
0.18053261927926956,
12.880129581074222,
0.7188187532452022
],
[
-0.18053261927926956,
15.11163486607422,
3.8145036032452015
],
[
-0.18053261927926956,
7.484408788925778,
5.639181066754798
],
[
-0.7786656382424677,
14.877518015727455,
6.135155931988649
],
[
-0.7786656382424675,
7.718525639272543,
3.318528738011351
],
[
0.7786656382424675,
5.487020354272543,
0.2228438880113508
],
[
0.7786656382424677,
12.646012730727456,
3.039471081988649
]
] |
[{"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
] |
[
[
0.59935711,
0,
0
],
[
0,
0.38062672,
-0.21010409
],
[
0,
-0.21010414,
1.01075781
]
] | -146.983923 | -158.503923 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00105656,
0.00361405,
-0.00328896
],
[
0.00105656,
-0.00361405,
0.00328896
],
[
-0.00105656,
-0.00361405,
0.00328896
],
[
-0.00105656,
0.00361405,
-0.00328896
],
[
-0.00198553,
0.00501799,
-0.00931905
],
[
-0.00198553,
-0.00501799,
0.00931905
],
[
0.00198553,
-0.00501799,
0.00931905
],
[
0.00198553,
0.00501799,
-0.00931905
],
[
0.00634012,
-0.01043847,
-0.0092129
],
[
0.00634012,
0.01043847,
0.0092129
],
[
-0.00634012,
0.01043847,
0.0092129
],
[
-0.00634012,
-0.01043847,
-0.0092129
],
[
-0.00783161,
0.00936825,
-0.0080526
],
[
-0.00783161,
-0.00936825,
0.0080526
],
[
0.00783161,
-0.00936825,
0.0080526
],
[
0.00783161,
0.00936825,
-0.0080526
],
[
0.00371517,
0.00317532,
-0.00267862
],
[
0.00371517,
-0.00317532,
0.00267862
],
[
-0.00371517,
-0.00317532,
0.00267862
],
[
-0.00371517,
0.00317532,
-0.00267862
]
] |
pbe
| true | 15 |
agm005266151-pbe-468
| 468 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25956569,
7.95109907,
0.08349858
],
[
-3.25956569,
7.95109907,
0.08349858
],
[
0,
4.46333511,
6.19199166
]
] |
agm005266151
|
[
[
1.629782845,
3.975549535,
0.04174929
],
[
-1.629782845,
6.20721709,
3.13774512
],
[
0.7651659656032844,
4.159649856328481,
2.766237858605024
],
[
0.7651659656032845,
13.974215838671519,
0.49675513139497623
],
[
-0.7651659656032845,
16.20588339367152,
3.5927509613949766
],
[
-0.7651659656032844,
6.391317411328481,
5.8622336886050235
],
[
-2.4820645173603917,
11.537786641606361,
4.168517041950989
],
[
-2.4820645173603917,
11.059414163393637,
5.286467608049012
],
[
2.4820645173603917,
8.827746608393637,
2.1904717780490115
],
[
2.4820645173603917,
9.30611908660636,
1.0725212119509882
],
[
-1.8532180871135595,
11.415005836747454,
1.971671326995015
],
[
-1.8532180871135595,
6.718859858252545,
1.2913216630049849
],
[
1.8532180871135595,
8.950527413252544,
4.387317493004985
],
[
1.8532180871135595,
13.646673391747454,
5.067667156995015
],
[
0.1797734900786372,
5.252573594908242,
2.543526783399761
],
[
0.17977349007863674,
12.881292100091759,
0.7194662066002392
],
[
-0.17977349007863674,
15.112959655091759,
3.81546203660024
],
[
-0.1797734900786372,
7.484241149908241,
5.639522613399761
],
[
-0.7786510170324128,
14.878272812571359,
6.136271021959241
],
[
-0.7786510170324128,
7.718927992428642,
3.318713628040759
],
[
0.7786510170324128,
5.487260437428642,
0.22271779804075922
],
[
0.7786510170324128,
12.646605257571359,
3.040275191959241
]
] |
[{"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
] |
[
[
0.43211164,
0,
0
],
[
0,
-0.15646012,
-0.11978153
],
[
0,
-0.11978157,
0.39718629
]
] | -146.983967 | -158.503967 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00160133,
0.0026919,
-0.00793425
],
[
0.00160133,
-0.0026919,
0.00793425
],
[
-0.00160133,
-0.0026919,
0.00793425
],
[
-0.00160133,
0.0026919,
-0.00793425
],
[
-0.00194706,
-0.00742464,
0.02235327
],
[
-0.00194706,
0.00742464,
-0.02235327
],
[
0.00194706,
0.00742464,
-0.02235327
],
[
0.00194706,
-0.00742464,
0.02235327
],
[
-0.00042402,
-0.00148912,
-0.00382864
],
[
-0.00042402,
0.00148912,
0.00382864
],
[
0.00042402,
0.00148912,
0.00382864
],
[
0.00042402,
-0.00148912,
-0.00382864
],
[
-0.00124156,
0.0020474,
-0.008487
],
[
-0.00124156,
-0.0020474,
0.008487
],
[
0.00124156,
-0.0020474,
0.008487
],
[
0.00124156,
0.0020474,
-0.008487
],
[
0.00233673,
0.00730816,
-0.0030893
],
[
0.00233673,
-0.00730816,
0.0030893
],
[
-0.00233673,
-0.00730816,
0.0030893
],
[
-0.00233673,
0.00730816,
-0.0030893
]
] |
pbe
| true | 15 |
agm005266151-pbe-469
| 469 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.51527128,
7.16943604,
-0.04109247
],
[
-3.51527128,
7.16943604,
-0.04109247
],
[
0,
3.93830617,
6.08025202
]
] |
agm005266151
|
[
[
1.75763564,
3.58471802,
-0.020546235
],
[
-1.75763564,
5.553871105,
3.019579775
],
[
0.7925188591992457,
3.7467707789003226,
2.6762022745104974
],
[
0.7925188591992454,
12.561254386099677,
0.28173879548950226
],
[
-0.7925188591992454,
14.530407471099675,
3.3218648054895024
],
[
-0.7925188591992457,
5.715923863900322,
5.716328284510498
],
[
-2.7017994002673245,
10.356520676582559,
3.9577751827840983
],
[
-2.7017994002673245,
9.889810658417442,
5.080417907215901
],
[
2.7017994002673245,
7.920657573417442,
2.040291897215901
],
[
2.7017994002673245,
8.387367591582558,
0.917649172784099
],
[
-2.0047163598270967,
10.265132384324655,
1.7846888007370618
],
[
-2.0047163598270967,
6.042892780675343,
1.1732522692629384
],
[
2.0047163598270967,
8.012045865675343,
4.213378279262938
],
[
2.0047163598270967,
12.234285469324655,
4.824814810737061
],
[
0.1247790536308383,
4.783363488583059,
2.41684807465922
],
[
0.12477905363083819,
11.524661676416942,
0.5410929953407803
],
[
-0.12477905363083819,
13.493814761416942,
3.5812190053407797
],
[
-0.1247790536308383,
6.752516573583058,
5.456974084659219
],
[
-1.060422218147997,
13.108623297282787,
5.8080535862606775
],
[
-1.0604222181479965,
7.137708037717213,
3.2301395037393226
],
[
1.0604222181479965,
5.168554952717214,
0.1900134937393228
],
[
1.060422218147997,
11.139470212282786,
2.7679275762606768
]
] |
[{"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
] |
[
[
2.18651928,
0,
0
],
[
0,
2.74356565,
-0.19331561
],
[
0,
-0.19331558,
3.83331603
]
] | -146.829998 | -158.349998 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.01830166,
0.00431822,
-0.08025543
],
[
0.01830166,
-0.00431822,
0.08025543
],
[
-0.01830166,
-0.00431822,
0.08025543
],
[
-0.01830166,
0.00431822,
-0.08025543
],
[
0.01792362,
0.01296258,
0.03252208
],
[
0.01792362,
-0.01296258,
-0.03252208
],
[
-0.01792362,
-0.01296258,
-0.03252208
],
[
-0.01792362,
0.01296258,
0.03252208
],
[
0.05166824,
-0.05095881,
0.05350716
],
[
0.05166824,
0.05095881,
-0.05350716
],
[
-0.05166824,
0.05095881,
-0.05350716
],
[
-0.05166824,
-0.05095881,
0.05350716
],
[
0.01003746,
0.01302859,
0.07081913
],
[
0.01003746,
-0.01302859,
-0.07081913
],
[
-0.01003746,
-0.01302859,
-0.07081913
],
[
-0.01003746,
0.01302859,
0.07081913
],
[
0.02550127,
-0.00982414,
0.00511036
],
[
0.02550127,
0.00982414,
-0.00511036
],
[
-0.02550127,
0.00982414,
-0.00511036
],
[
-0.02550127,
-0.00982414,
0.00511036
]
] |
pbe
| true | 15 |
agm005266151-pbe-47
| 47 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.25970778,
7.95118483,
0.08354554
],
[
-3.25970778,
7.95118483,
0.08354554
],
[
0,
4.46341815,
6.1921508
]
] |
agm005266151
|
[
[
1.62985389,
3.975592415,
0.04177277
],
[
-1.62985389,
6.20730149,
3.1378481700000003
],
[
0.7651458612786408,
4.1596298218847,
2.766263626311034
],
[
0.7651458612786408,
13.9744489131153,
0.49690285368896603
],
[
-0.7651458612786408,
16.2061579881153,
3.5929782536889663
],
[
-0.7651458612786408,
6.391338896884699,
5.862339026311034
],
[
-2.482179234180395,
11.537879317091603,
4.168606307888283
],
[
-2.4821792341803954,
11.059617567908397,
5.286710972111717
],
[
2.4821792341803954,
8.827908492908398,
2.190635572111717
],
[
2.482179234180395,
9.306170242091603,
1.072530907888283
],
[
-1.8532575389402886,
11.415061116709454,
1.9717539061259035
],
[
-1.8532575389402886,
6.719017618290544,
1.2914125738740967
],
[
1.8532575389402886,
8.950726693290544,
4.387487973874097
],
[
1.8532575389402886,
13.646770191709455,
5.067829306125904
],
[
0.17957925742486802,
5.252489235525228,
2.5435346014271007
],
[
0.17957925742486802,
12.88158949947477,
0.7196318785728997
],
[
-0.17957925742486802,
15.113298574474772,
3.8157072785729
],
[
-0.17957925742486802,
7.484198310525228,
5.6396100014271004
],
[
-0.7786472775297004,
14.878465906139688,
6.13655630461348
],
[
-0.7786472775297006,
7.71903097886031,
3.318760975386521
],
[
0.7786472775297006,
5.487321903860311,
0.22268557538652062
],
[
0.7786472775297004,
12.646756831139689,
3.0404809046134793
]
] |
[{"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
] |
[
[
0.38128205,
0,
0
],
[
0,
-0.30803249,
-0.09738829
],
[
0,
-0.09738829,
0.23188046
]
] | -146.983969 | -158.503969 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00171169,
0.00289891,
-0.00904183
],
[
0.00171169,
-0.00289891,
0.00904183
],
[
-0.00171169,
-0.00289891,
0.00904183
],
[
-0.00171169,
0.00289891,
-0.00904183
],
[
-0.00186104,
-0.01061109,
0.0302722
],
[
-0.00186104,
0.01061109,
-0.0302722
],
[
0.00186104,
0.01061109,
-0.0302722
],
[
0.00186104,
-0.01061109,
0.0302722
],
[
-0.00194415,
0.0006464,
-0.00219688
],
[
-0.00194415,
-0.0006464,
0.00219688
],
[
0.00194415,
-0.0006464,
0.00219688
],
[
0.00194415,
0.0006464,
-0.00219688
],
[
-0.00037318,
-0.00060295,
-0.00895301
],
[
-0.00037318,
0.00060295,
0.00895301
],
[
0.00037318,
0.00060295,
0.00895301
],
[
0.00037318,
-0.00060295,
-0.00895301
],
[
0.00246853,
0.0080321,
-0.00296551
],
[
0.00246853,
-0.0080321,
0.00296551
],
[
-0.00246853,
-0.0080321,
0.00296551
],
[
-0.00246853,
0.0080321,
-0.00296551
]
] |
pbe
| true | 15 |
agm005266151-pbe-470
| 470 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26030828,
7.95123666,
0.08363112
],
[
-3.26030828,
7.95123666,
0.08363112
],
[
0,
4.46350722,
6.19278547
]
] |
agm005266151
|
[
[
1.63015414,
3.97561833,
0.04181556
],
[
-1.63015414,
6.20737194,
3.1382082949999996
],
[
0.7651244849095594,
4.159443224846671,
2.766276850910704
],
[
0.7651244849095593,
13.974783705153328,
0.49737812408929616
],
[
-0.7651244849095593,
16.206537315153327,
3.593770859089296
],
[
-0.7651244849095594,
6.391196834846671,
5.862669585910703
],
[
-2.4826785566516723,
11.537695370681792,
4.169217272970736
],
[
-2.4826785566516723,
11.060038779318209,
5.287223172029264
],
[
2.4826785566516723,
8.828285169318207,
2.190830437029263
],
[
2.4826785566516723,
9.305941760681792,
1.0728245379707366
],
[
-1.853480203702166,
11.414895820191981,
1.971946168602111
],
[
-1.853480203702166,
6.719331109808019,
1.291708806397889
],
[
1.853480203702166,
8.95108471980802,
4.388101541397889
],
[
1.853480203702166,
13.646649430191982,
5.06833890360211
],
[
0.1789254575817376,
5.252017068710022,
2.543472717751776
],
[
0.1789254575817374,
12.882209861289978,
0.7201822572482237
],
[
-0.1789254575817374,
15.113963471289978,
3.8165749922482233
],
[
-0.1789254575817376,
7.483770678710023,
5.639865452751776
],
[
-0.7786368977821849,
14.878702961569008,
6.137486075244205
],
[
-0.7786368977821851,
7.719031188430995,
3.318954369755794
],
[
0.7786368977821851,
5.487277578430994,
0.2225616347557943
],
[
0.7786368977821849,
12.646949351569006,
3.0410933402442053
]
] |
[{"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
] |
[
[
0.24780156,
0,
0
],
[
0,
-0.63997503,
-0.12618218
],
[
0,
-0.12618231,
-0.01929976
]
] | -146.983999 | -158.503999 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00145343,
-0.00292758,
-0.0006914
],
[
0.00145343,
0.00292758,
0.0006914
],
[
-0.00145343,
0.00292758,
0.0006914
],
[
-0.00145343,
-0.00292758,
-0.0006914
],
[
-0.00168905,
0.00847681,
-0.01213467
],
[
-0.00168905,
-0.00847681,
0.01213467
],
[
0.00168905,
-0.00847681,
0.01213467
],
[
0.00168905,
0.00847681,
-0.01213467
],
[
-0.00737551,
0.00806756,
0.00250842
],
[
-0.00737551,
-0.00806756,
-0.00250842
],
[
0.00737551,
-0.00806756,
-0.00250842
],
[
0.00737551,
0.00806756,
0.00250842
],
[
0.00542815,
-0.00683228,
-0.00844865
],
[
0.00542815,
0.00683228,
0.00844865
],
[
-0.00542815,
0.00683228,
0.00844865
],
[
-0.00542815,
-0.00683228,
-0.00844865
],
[
0.0017015,
0.01010703,
-0.00375461
],
[
0.0017015,
-0.01010703,
0.00375461
],
[
-0.0017015,
-0.01010703,
0.00375461
],
[
-0.0017015,
0.01010703,
-0.00375461
]
] |
pbe
| true | 15 |
agm005266151-pbe-471
| 471 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26026933,
7.9512333,
0.08362557
],
[
-3.26026933,
7.9512333,
0.08362557
],
[
0,
4.46350145,
6.1927443
]
] |
agm005266151
|
[
[
1.630134665,
3.97561665,
0.041812785
],
[
-1.630134665,
6.2073673750000005,
3.138184935
],
[
0.7651258748491939,
4.159455348167428,
2.766275998740996
],
[
0.7651258748491938,
13.974761976832573,
0.4973472912590046
],
[
-0.7651258748491938,
16.206512701832573,
3.5937194412590046
],
[
-0.7651258748491939,
6.391206073167427,
5.862648148740996
],
[
-2.4826461581523565,
11.537707199002774,
4.16917759781809
],
[
-2.4826461581523565,
11.060011575997226,
5.2871899921819105
],
[
2.4826461581523565,
8.828260850997225,
2.1908178421819104
],
[
2.4826461581523565,
9.305956474002775,
1.07280544781809
],
[
-1.853465754923157,
11.414906503921939,
1.9719336700437111
],
[
-1.853465754923157,
6.719310821078061,
1.291689619956289
],
[
1.853465754923157,
8.95106154607806,
4.388061769956289
],
[
1.853465754923157,
13.64665722892194,
5.068305820043712
],
[
0.1789678878905947,
5.2520476821400885,
2.543476746233071
],
[
0.17896788789059448,
12.88216964285991,
0.7201465437669291
],
[
-0.17896788789059448,
15.11392036785991,
3.8165186937669295
],
[
-0.1789678878905947,
7.483798407140089,
5.639848896233071
],
[
-0.7786376046496728,
14.878687665579388,
6.137425817843874
],
[
-0.7786376046496728,
7.719031109420612,
3.3189417721561267
],
[
0.7786376046496728,
5.487280384420613,
0.22256962215612663
],
[
0.7786376046496728,
12.646936940579389,
3.0410536678438733
]
] |
[{"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
] |
[
[
0.24825478,
0,
0
],
[
0,
-0.62766318,
-0.12553874
],
[
0,
-0.12553876,
-0.00840619
]
] | -146.983999 | -158.503999 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00153986,
-0.0023861,
-0.00129165
],
[
0.00153986,
0.0023861,
0.00129165
],
[
-0.00153986,
0.0023861,
0.00129165
],
[
-0.00153986,
-0.0023861,
-0.00129165
],
[
-0.00160805,
0.00740431,
-0.00958036
],
[
-0.00160805,
-0.00740431,
0.00958036
],
[
0.00160805,
-0.00740431,
0.00958036
],
[
0.00160805,
0.00740431,
-0.00958036
],
[
-0.00693455,
0.00782324,
0.00231262
],
[
-0.00693455,
-0.00782324,
-0.00231262
],
[
0.00693455,
-0.00782324,
-0.00231262
],
[
0.00693455,
0.00782324,
0.00231262
],
[
0.00575033,
-0.00611033,
-0.00816732
],
[
0.00575033,
0.00611033,
0.00816732
],
[
-0.00575033,
0.00611033,
0.00816732
],
[
-0.00575033,
-0.00611033,
-0.00816732
],
[
0.00177075,
0.00976589,
-0.00404915
],
[
0.00177075,
-0.00976589,
0.00404915
],
[
-0.00177075,
-0.00976589,
0.00404915
],
[
-0.00177075,
0.00976589,
-0.00404915
]
] |
pbe
| true | 15 |
agm005266151-pbe-472
| 472 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26066899,
7.95078302,
0.08357601
],
[
-3.26066899,
7.95078302,
0.08357601
],
[
0,
4.46320711,
6.19302636
]
] |
agm005266151
|
[
[
1.630334495,
3.97539151,
0.041788005
],
[
-1.630334495,
6.206995065,
3.138301185
],
[
0.7651488134402293,
4.159047207288334,
2.7662173230738123
],
[
0.7651488134402293,
13.974122387711665,
0.4974478769261877
],
[
-0.7651488134402293,
16.205725942711666,
3.593961056926188
],
[
-0.7651488134402293,
6.390650762288334,
5.862730503073813
],
[
-2.4829900777649985,
11.536944423327814,
4.1692623318317334
],
[
-2.482990077764999,
11.059432281672187,
5.287429228168268
],
[
2.482990077764999,
8.827828726672188,
2.190916048168267
],
[
2.4829900777649985,
9.305340868327814,
1.0727491518317331
],
[
-1.8537025809304024,
11.414192011397247,
1.9719227375067883
],
[
-1.8537025809304026,
6.718977583602755,
1.2917424624932117
],
[
1.8537025809304026,
8.950581138602756,
4.388255642493212
],
[
1.8537025809304024,
13.645795566397247,
5.068435917506788
],
[
0.178682084723498,
5.251384092371204,
2.5432921128194437
],
[
0.17868208472349778,
12.881785502628796,
0.7203730871805561
],
[
-0.17868208472349778,
15.113389057628797,
3.816886267180556
],
[
-0.178682084723498,
7.482987647371204,
5.639805292819444
],
[
-0.7786318101406389,
14.87795168835249,
6.137698453590837
],
[
-0.778631810140639,
7.718425016647512,
3.3189931064091627
],
[
0.778631810140639,
5.486821461647511,
0.2224799264091627
],
[
0.7786318101406389,
12.646348133352488,
3.0411852735908376
]
] |
[{"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
] |
[
[
0.30582292,
0,
0
],
[
0,
-0.47113929,
-0.01758456
],
[
0,
-0.01758457,
-0.16617574
]
] | -146.984028 | -158.504028 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00058925,
-0.00433621,
0.00402795
],
[
0.00058925,
0.00433621,
-0.00402795
],
[
-0.00058925,
0.00433621,
-0.00402795
],
[
-0.00058925,
-0.00433621,
0.00402795
],
[
-0.00114629,
0.0062308,
-0.00682495
],
[
-0.00114629,
-0.0062308,
0.00682495
],
[
0.00114629,
-0.0062308,
0.00682495
],
[
0.00114629,
0.0062308,
-0.00682495
],
[
-0.00469978,
0.00595028,
-0.00037274
],
[
-0.00469978,
-0.00595028,
0.00037274
],
[
0.00469978,
-0.00595028,
0.00037274
],
[
0.00469978,
0.00595028,
-0.00037274
],
[
0.00328785,
-0.0029938,
-0.00830102
],
[
0.00328785,
0.0029938,
0.00830102
],
[
-0.00328785,
0.0029938,
0.00830102
],
[
-0.00328785,
-0.0029938,
-0.00830102
],
[
0.00290686,
0.00826428,
-0.00422101
],
[
0.00290686,
-0.00826428,
0.00422101
],
[
-0.00290686,
-0.00826428,
0.00422101
],
[
-0.00290686,
0.00826428,
-0.00422101
]
] |
pbe
| true | 15 |
agm005266151-pbe-473
| 473 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26186797,
7.94943218,
0.08342732
],
[
-3.26186797,
7.94943218,
0.08342732
],
[
0,
4.4623241,
6.19387253
]
] |
agm005266151
|
[
[
1.630933985,
3.97471609,
0.04171366
],
[
-1.630933985,
6.205878139999999,
3.138649925
],
[
0.765217688091392,
4.157822942397406,
2.7660411374382243
],
[
0.7652176880913921,
13.972203467602593,
0.4977497675617754
],
[
-0.7652176880913921,
16.20336551760259,
3.5946860325617753
],
[
-0.765217688091392,
6.388984992397407,
5.862977402438226
],
[
-2.4840218295880336,
11.534656321395138,
4.169516496089958
],
[
-2.4840218295880345,
11.057694188604863,
5.2881469389100415
],
[
2.4840218295880345,
8.826532138604863,
2.191210673910042
],
[
2.4840218295880336,
9.303494271395138,
1.0725802310899584
],
[
-1.8544130731001016,
11.412048373611809,
1.971889845057055
],
[
-1.8544130731001016,
6.717978036388191,
1.291901059942945
],
[
1.8544130731001016,
8.94914008638819,
4.388837324942944
],
[
1.8544130731001016,
13.643210423611809,
5.0688261100570555
],
[
0.1778243530579966,
5.249393268757327,
2.5427380614051835
],
[
0.17782435305799682,
12.880633141242672,
0.721052843594816
],
[
-0.17782435305799682,
15.11179519124267,
3.817989108594816
],
[
-0.1778243530579966,
7.480555318757327,
5.639674326405185
],
[
-0.7786143103189007,
14.875743785524502,
6.138516427291492
],
[
-0.7786143103189009,
7.716606724475497,
3.319147007708508
],
[
0.7786143103189009,
5.485444674475497,
0.2222107427085076
],
[
0.7786143103189007,
12.644581735524504,
3.0415801622914924
]
] |
[{"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
] |
[
[
0.39249881,
0,
0
],
[
0,
-0.12823133,
0.30550033
],
[
0,
0.30550029,
-0.72467574
]
] | -146.984068 | -158.504068 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00251946,
-0.01058342,
0.02037418
],
[
-0.00251946,
0.01058342,
-0.02037418
],
[
0.00251946,
0.01058342,
-0.02037418
],
[
0.00251946,
-0.01058342,
0.02037418
],
[
-0.0001954,
0.00264638,
0.00130161
],
[
-0.0001954,
-0.00264638,
-0.00130161
],
[
0.0001954,
-0.00264638,
-0.00130161
],
[
0.0001954,
0.00264638,
0.00130161
],
[
0.0016985,
-0.00050964,
-0.00708755
],
[
0.0016985,
0.00050964,
0.00708755
],
[
-0.0016985,
0.00050964,
0.00708755
],
[
-0.0016985,
-0.00050964,
-0.00708755
],
[
-0.00268604,
0.00617625,
-0.0079436
],
[
-0.00268604,
-0.00617625,
0.0079436
],
[
0.00268604,
-0.00617625,
0.0079436
],
[
0.00268604,
0.00617625,
-0.0079436
],
[
0.00608405,
0.00212199,
-0.00508225
],
[
0.00608405,
-0.00212199,
0.00508225
],
[
-0.00608405,
-0.00212199,
0.00508225
],
[
-0.00608405,
0.00212199,
-0.00508225
]
] |
pbe
| true | 15 |
agm005266151-pbe-474
| 474 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26233614,
7.94893349,
0.08352962
],
[
-3.26233614,
7.94893349,
0.08352962
],
[
0,
4.46212309,
6.19394723
]
] |
agm005266151
|
[
[
1.63116807,
3.974466745,
0.04176481
],
[
-1.63116807,
6.20552829,
3.138738425
],
[
0.76524129485559,
4.157373643668742,
2.7660807065363566
],
[
0.7652412948555898,
13.971554881331258,
0.49795214846364333
],
[
-0.7652412948555898,
16.20261642633126,
3.594925763463644
],
[
-0.76524129485559,
6.388435188668742,
5.863054321536357
],
[
-2.4844179941248754,
11.533923884792578,
4.169639527423141
],
[
-2.484417994124875,
11.057127730207421,
5.288340557576859
],
[
2.484417994124875,
8.826066185207422,
2.191366942576859
],
[
2.4844179941248754,
9.30286233979258,
1.0726659124231408
],
[
-1.854676656403175,
11.411298809769725,
1.9719601037785586
],
[
-1.8546766564031747,
6.7176297152302755,
1.2920727512214414
],
[
1.8546766564031747,
8.948691260230277,
4.389046366221442
],
[
1.854676656403175,
13.642360354769725,
5.068933718778559
],
[
0.17753323351946704,
5.248801159064193,
2.5424884480144048
],
[
0.17753323351946726,
12.880127365935808,
0.7215444069855951
],
[
-0.17753323351946726,
15.111188910935809,
3.8185180219855956
],
[
-0.17753323351946704,
7.4798627040641925,
5.639462063014405
],
[
-0.7785853914858392,
14.875044582374922,
6.138750790286114
],
[
-0.778585391485839,
7.716007032625078,
3.3192292947138866
],
[
0.778585391485839,
5.484945487625078,
0.2222556797138864
],
[
0.7785853914858392,
12.643983037374923,
3.0417771752861134
]
] |
[{"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
] |
[
[
0.36183896,
0,
0
],
[
0,
-0.1069221,
0.29133994
],
[
0,
0.29133993,
-0.70880393
]
] | -146.984102 | -158.504102 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00387003,
-0.00602022,
0.01410906
],
[
-0.00387003,
0.00602022,
-0.01410906
],
[
0.00387003,
0.00602022,
-0.01410906
],
[
0.00387003,
-0.00602022,
0.01410906
],
[
0.00007689,
0.0015752,
0.00322599
],
[
0.00007689,
-0.0015752,
-0.00322599
],
[
-0.00007689,
-0.0015752,
-0.00322599
],
[
-0.00007689,
0.0015752,
0.00322599
],
[
0.00155143,
-0.00156322,
-0.00437313
],
[
0.00155143,
0.00156322,
0.00437313
],
[
-0.00155143,
0.00156322,
0.00437313
],
[
-0.00155143,
-0.00156322,
-0.00437313
],
[
-0.00152247,
0.00330109,
-0.00519208
],
[
-0.00152247,
-0.00330109,
0.00519208
],
[
0.00152247,
-0.00330109,
0.00519208
],
[
0.00152247,
0.00330109,
-0.00519208
],
[
0.00671213,
0.00028546,
-0.00491901
],
[
0.00671213,
-0.00028546,
0.00491901
],
[
-0.00671213,
-0.00028546,
0.00491901
],
[
-0.00671213,
0.00028546,
-0.00491901
]
] |
pbe
| true | 15 |
agm005266151-pbe-475
| 475 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26374064,
7.94743743,
0.08383652
],
[
-3.26374064,
7.94743743,
0.08383652
],
[
0,
4.46152007,
6.19417131
]
] |
agm005266151
|
[
[
1.63187032,
3.973718715,
0.04191826
],
[
-1.63187032,
6.20447875,
3.139003915
],
[
0.7653120295933071,
4.156025875275169,
2.766199307878685
],
[
0.7653120295933071,
13.96960901972483,
0.49855938712131487
],
[
-0.7653120295933071,
16.20036905472483,
3.5956450421213146
],
[
-0.7653120295933071,
6.38678591027517,
5.863284962878685
],
[
-2.4856066136535757,
11.531726791547198,
4.170008599316927
],
[
-2.485606613653576,
11.0554281734528,
5.288921405683072
],
[
2.485606613653576,
8.8246681384528,
2.1918357506830723
],
[
2.4856066136535757,
9.300966756547199,
1.0729229443169273
],
[
-1.8554672656394222,
11.40905023436589,
1.9721707401031665
],
[
-1.8554672656394222,
6.716584660634108,
1.2925879548968335
],
[
1.8554672656394222,
8.947344695634108,
4.389673609896834
],
[
1.8554672656394222,
13.639810269365892,
5.069256395103166
],
[
0.17665949226266886,
5.247024861591412,
2.541739664775626
],
[
0.17665949226266875,
12.878610033408588,
0.7230190302243737
],
[
-0.17665949226266875,
15.10937006840859,
3.820104685224374
],
[
-0.17665949226266886,
7.477784896591412,
5.638825319775626
],
[
-0.7784984556262866,
14.872946995678166,
6.139453824640132
],
[
-0.7784984556262864,
7.714207969321834,
3.319476180359868
],
[
0.7784984556262864,
5.483447934321834,
0.22239052535986792
],
[
0.7784984556262866,
12.642186960678167,
3.042368169640132
]
] |
[{"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
] |
[
[
0.27150092,
0,
0
],
[
0,
-0.06983766,
0.24901446
],
[
0,
0.24901456,
-0.67070981
]
] | -146.98416 | -158.50416 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.0084219,
0.00862221,
-0.0054616
],
[
-0.0084219,
-0.00862221,
0.0054616
],
[
0.0084219,
-0.00862221,
0.0054616
],
[
0.0084219,
0.00862221,
-0.0054616
],
[
0.0006773,
-0.00129316,
0.00840288
],
[
0.0006773,
0.00129316,
-0.00840288
],
[
-0.0006773,
0.00129316,
-0.00840288
],
[
-0.0006773,
-0.00129316,
0.00840288
],
[
0.0011306,
-0.00444829,
0.00369335
],
[
0.0011306,
0.00444829,
-0.00369335
],
[
-0.0011306,
0.00444829,
-0.00369335
],
[
-0.0011306,
-0.00444829,
0.00369335
],
[
0.00114409,
-0.00630048,
0.00200491
],
[
0.00114409,
0.00630048,
-0.00200491
],
[
-0.00114409,
0.00630048,
-0.00200491
],
[
-0.00114409,
-0.00630048,
0.00200491
],
[
0.00875155,
-0.00510122,
-0.00487061
],
[
0.00875155,
0.00510122,
0.00487061
],
[
-0.00875155,
0.00510122,
0.00487061
],
[
-0.00875155,
-0.00510122,
-0.00487061
]
] |
pbe
| true | 15 |
agm005266151-pbe-476
| 476 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26438064,
7.94675571,
0.08397637
],
[
-3.26438064,
7.94675571,
0.08397637
],
[
0,
4.46124529,
6.19427342
]
] |
agm005266151
|
[
[
1.63219032,
3.973377855,
0.041988185
],
[
-1.63219032,
6.204000499999999,
3.139124895
],
[
0.7653442585594032,
4.155411677636895,
2.7662533551450537
],
[
0.7653442585594035,
13.968722387363105,
0.4988360948549465
],
[
-0.7653442585594035,
16.199345032363105,
3.595972804854947
],
[
-0.7653442585594032,
6.386034322636895,
5.863390065145054
],
[
-2.4861482149481997,
11.530725619979654,
4.1701767640965555
],
[
-2.4861482149481997,
11.054653735020345,
5.289186105903444
],
[
2.4861482149481997,
8.824031090020345,
2.1920493959034437
],
[
2.4861482149481997,
9.300102974979653,
1.073040054096556
],
[
-1.855827553486925,
11.408025669437844,
1.972266767615825
],
[
-1.8558275534869249,
6.716108395562156,
1.2928226823841753
],
[
1.8558275534869249,
8.946731040562156,
4.389959392384176
],
[
1.855827553486925,
13.638648314437845,
5.0694034776158245
],
[
0.17626127725860485,
5.246215549126779,
2.5413984412181625
],
[
0.17626127725860474,
12.87791851587322,
0.7236910087818378
],
[
-0.17626127725860474,
15.10854116087322,
3.820827718781838
],
[
-0.17626127725860485,
7.476838194126779,
5.6385351512181625
],
[
-0.7784587772053777,
14.871991240547423,
6.139774223656334
],
[
-0.7784587772053776,
7.7133881144525756,
3.3195886463436657
],
[
0.7784587772053776,
5.482765469452575,
0.2224519363436655
],
[
0.7784587772053777,
12.641368595547423,
3.0426375136563344
]
] |
[{"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
] |
[
[
0.22212065,
0,
0
],
[
0,
-0.04933726,
0.22992055
],
[
0,
0.22992062,
-0.65575099
]
] | -146.984166 | -158.504166 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01030423,
0.01492867,
-0.01416168
],
[
-0.01030423,
-0.01492867,
0.01416168
],
[
0.01030423,
-0.01492867,
0.01416168
],
[
0.01030423,
0.01492867,
-0.01416168
],
[
0.001048,
-0.00273253,
0.01100385
],
[
0.001048,
0.00273253,
-0.01100385
],
[
-0.001048,
0.00273253,
-0.01100385
],
[
-0.001048,
-0.00273253,
0.01100385
],
[
0.00090339,
-0.00591755,
0.00767209
],
[
0.00090339,
0.00591755,
-0.00767209
],
[
-0.00090339,
0.00591755,
-0.00767209
],
[
-0.00090339,
-0.00591755,
0.00767209
],
[
0.00290755,
-0.01030569,
0.00559469
],
[
0.00290755,
0.01030569,
-0.00559469
],
[
-0.00290755,
0.01030569,
-0.00559469
],
[
-0.00290755,
-0.01030569,
0.00559469
],
[
0.00981166,
-0.00787229,
-0.00474036
],
[
0.00981166,
0.00787229,
0.00474036
],
[
-0.00981166,
0.00787229,
0.00474036
],
[
-0.00981166,
-0.00787229,
-0.00474036
]
] |
pbe
| true | 15 |
agm005266151-pbe-477
| 477 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26505582,
7.94606309,
0.08422809
],
[
-3.26505582,
7.94606309,
0.08422809
],
[
0,
4.46105368,
6.19417726
]
] |
agm005266151
|
[
[
1.63252791,
3.973031545,
0.042114045
],
[
-1.63252791,
6.203558385,
3.139202675
],
[
0.7653132813378313,
4.154943993841866,
2.766149667341242
],
[
0.7653132813378312,
13.967709026158134,
0.4993951426587582
],
[
-0.7653132813378312,
16.198235866158136,
3.5964837726587584
],
[
-0.7653132813378313,
6.385470833841866,
5.863238297341242
],
[
-2.4867081419737054,
11.529749546828386,
4.170414911213203
],
[
-2.486708141973705,
11.053957153171613,
5.289307158786797
],
[
2.486708141973705,
8.823430313171613,
2.192218528786797
],
[
2.4867081419737054,
9.299222706828386,
1.073326281213203
],
[
-1.8562014078636133,
11.406971582720619,
1.9725016655954914
],
[
-1.856201407863613,
6.7156814372793825,
1.2930431444045087
],
[
1.856201407863613,
8.946208277279382,
4.390131774404509
],
[
1.8562014078636133,
13.637498422720618,
5.069590295595491
],
[
0.17589384641382844,
5.24536913232288,
2.5410738992765993
],
[
0.17589384641382821,
12.877283887677118,
0.7244709107234008
],
[
-0.17589384641382821,
15.10781072767712,
3.8215595407234004
],
[
-0.17589384641382844,
7.4758959723228795,
5.638162529276599
],
[
-0.7783610647551571,
14.871041568299965,
6.140015334903043
],
[
-0.7783610647551569,
7.712665131700033,
3.319706735096957
],
[
0.7783610647551569,
5.482138291700034,
0.22261810509695729
],
[
0.7783610647551571,
12.640514728299966,
3.0429267049030426
]
] |
[{"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
] |
[
[
0.23186843,
0,
0
],
[
0,
0.15115942,
0.10298854
],
[
0,
0.1029886,
-0.43370592
]
] | -146.984198 | -158.504198 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00711528,
0.01025601,
-0.01415678
],
[
-0.00711528,
-0.01025601,
0.01415678
],
[
0.00711528,
-0.01025601,
0.01415678
],
[
0.00711528,
0.01025601,
-0.01415678
],
[
0.00106262,
0.00499658,
-0.00793628
],
[
0.00106262,
-0.00499658,
0.00793628
],
[
-0.00106262,
-0.00499658,
0.00793628
],
[
-0.00106262,
0.00499658,
-0.00793628
],
[
0.00080898,
-0.0065127,
0.00854592
],
[
0.00080898,
0.0065127,
-0.00854592
],
[
-0.00080898,
0.0065127,
-0.00854592
],
[
-0.00080898,
-0.0065127,
0.00854592
],
[
-0.00060989,
-0.00502104,
0.00541361
],
[
-0.00060989,
0.00502104,
-0.00541361
],
[
0.00060989,
0.00502104,
-0.00541361
],
[
0.00060989,
-0.00502104,
0.00541361
],
[
0.00965188,
-0.00879437,
-0.00430689
],
[
0.00965188,
0.00879437,
0.00430689
],
[
-0.00965188,
0.00879437,
0.00430689
],
[
-0.00965188,
-0.00879437,
-0.00430689
]
] |
pbe
| true | 15 |
agm005266151-pbe-478
| 478 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26537371,
7.945737,
0.0843466
],
[
-3.26537371,
7.945737,
0.0843466
],
[
0,
4.46096347,
6.19413199
]
] |
agm005266151
|
[
[
1.632686855,
3.9728685,
0.0421733
],
[
-1.632686855,
6.203350235,
3.139239295
],
[
0.7652987138204348,
4.154723806189724,
2.766100860269004
],
[
0.7652987138204348,
13.967231928810277,
0.49965833473099597
],
[
-0.7652987138204348,
16.197713663810276,
3.596724329730996
],
[
-0.7652987138204348,
6.385205541189724,
5.863166855269005
],
[
-2.4869717698635516,
11.52928997180168,
4.170526993693524
],
[
-2.4869717698635516,
11.053629233198322,
5.289364191306476
],
[
2.4869717698635516,
8.823147498198322,
2.1922981963064756
],
[
2.4869717698635516,
9.29880823680168,
1.0734609986935237
],
[
-1.8563774931700463,
11.406475280270543,
1.9726122554151417
],
[
-1.8563774931700465,
6.715480454729458,
1.2931469395848583
],
[
1.8563774931700465,
8.945962189729459,
4.390212934584858
],
[
1.8563774931700463,
13.636957015270543,
5.069678250415141
],
[
0.17572082895197683,
5.244970620568043,
2.540921097772872
],
[
0.17572082895197694,
12.876985114431958,
0.7248380972271278
],
[
-0.17572082895197694,
15.107466849431958,
3.8219040922271277
],
[
-0.17572082895197683,
7.475452355568043,
5.637987092772873
],
[
-0.7783149832345511,
14.8705944320959,
6.140128841330025
],
[
-0.7783149832345513,
7.712324772904103,
3.319762343669974
],
[
0.7783149832345513,
5.4818430379041025,
0.22269634866997431
],
[
0.7783149832345511,
12.6401126970959,
3.0430628463300256
]
] |
[{"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
] |
[
[
0.27242269,
0,
0
],
[
0,
0.28490052,
0.04197915
],
[
0,
0.04197914,
-0.29157109
]
] | -146.984208 | -158.504208 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00549952,
0.0084295,
-0.01431991
],
[
-0.00549952,
-0.0084295,
0.01431991
],
[
0.00549952,
-0.0084295,
0.01431991
],
[
0.00549952,
0.0084295,
-0.01431991
],
[
0.00122098,
0.00874382,
-0.01697932
],
[
0.00122098,
-0.00874382,
0.01697932
],
[
-0.00122098,
-0.00874382,
0.01697932
],
[
-0.00122098,
0.00874382,
-0.01697932
],
[
0.00095221,
-0.00641936,
0.00865701
],
[
0.00095221,
0.00641936,
-0.00865701
],
[
-0.00095221,
0.00641936,
-0.00865701
],
[
-0.00095221,
-0.00641936,
0.00865701
],
[
-0.00246945,
-0.00252389,
0.00515652
],
[
-0.00246945,
0.00252389,
-0.00515652
],
[
0.00246945,
0.00252389,
-0.00515652
],
[
0.00246945,
-0.00252389,
0.00515652
],
[
0.00976218,
-0.0086607,
-0.00421763
],
[
0.00976218,
0.0086607,
0.00421763
],
[
-0.00976218,
0.0086607,
0.00421763
],
[
-0.00976218,
-0.0086607,
-0.00421763
]
] |
pbe
| true | 15 |
agm005266151-pbe-479
| 479 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.51302987,
7.17293278,
-0.04355321
],
[
-3.51302987,
7.17293278,
-0.04355321
],
[
0,
3.93814154,
6.08050399
]
] |
agm005266151
|
[
[
1.756514935,
3.58646639,
-0.021776605
],
[
-1.756514935,
5.55553716,
3.0184753900000003
],
[
0.79336239565845,
3.7475346746090104,
2.6751871932790015
],
[
0.7933623956584501,
12.56740165539099,
0.2779583817209988
],
[
-0.7933623956584501,
14.53647242539099,
3.318210376720999
],
[
-0.79336239565845,
5.71660544460901,
5.715439188279002
],
[
-2.699849805369204,
10.359927171870659,
3.955048421332223
],
[
-2.699849805369205,
9.893150698129341,
5.078601143667777
],
[
2.699849805369205,
7.924079928129341,
2.038349148667777
],
[
2.699849805369204,
8.390856401870659,
0.9147964263322235
],
[
-2.0022363737689552,
10.269087634507352,
1.78126331846807
],
[
-2.002236373768955,
6.045848695492649,
1.1718822565319302
],
[
2.002236373768955,
8.014919465492648,
4.212134251531929
],
[
2.0022363737689552,
12.238158404507352,
4.821515313468071
],
[
0.12614267971477833,
4.7852713424409465,
2.418550001627025
],
[
0.12614267971477844,
11.529664987559052,
0.5345955733729753
],
[
-0.12614267971477844,
13.498735757559052,
3.5748475683729755
],
[
-0.12614267971477833,
6.754342112440947,
5.458801996627026
],
[
-1.0573191293554063,
13.114209711611608,
5.803727724221553
],
[
-1.0573191293554063,
7.138868158388393,
3.2299218407784482
],
[
1.0573191293554063,
5.1697973883883925,
0.18966984577844773
],
[
1.0573191293554063,
11.145138941611608,
2.763475729221552
]
] |
[{"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
] |
[
[
1.92524764,
0,
0
],
[
0,
1.97457235,
0.35561482
],
[
0,
0.35561481,
2.28288599
]
] | -146.831413 | -158.351413 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00727093,
-0.0055106,
-0.03180024
],
[
0.00727093,
0.0055106,
0.03180024
],
[
-0.00727093,
0.0055106,
0.03180024
],
[
-0.00727093,
-0.0055106,
-0.03180024
],
[
0.02303785,
-0.01171184,
0.08116258
],
[
0.02303785,
0.01171184,
-0.08116258
],
[
-0.02303785,
0.01171184,
-0.08116258
],
[
-0.02303785,
-0.01171184,
0.08116258
],
[
0.047718,
-0.03942721,
0.04641728
],
[
0.047718,
0.03942721,
-0.04641728
],
[
-0.047718,
0.03942721,
-0.04641728
],
[
-0.047718,
-0.03942721,
0.04641728
],
[
0.01999045,
0.0049249,
0.05458699
],
[
0.01999045,
-0.0049249,
-0.05458699
],
[
-0.01999045,
-0.0049249,
-0.05458699
],
[
-0.01999045,
0.0049249,
0.05458699
],
[
0.01930079,
-0.00182608,
0.00479482
],
[
0.01930079,
0.00182608,
-0.00479482
],
[
-0.01930079,
0.00182608,
-0.00479482
],
[
-0.01930079,
-0.00182608,
0.00479482
]
] |
pbe
| true | 15 |
agm005266151-pbe-48
| 48 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26600949,
7.9450848,
0.08458363
],
[
-3.26600949,
7.9450848,
0.08458363
],
[
0,
4.46078304,
6.19404145
]
] |
agm005266151
|
[
[
1.633004745,
3.9725424,
0.042291815
],
[
-1.633004745,
6.2029339199999995,
3.13931254
],
[
0.765269494093312,
4.154283313805981,
2.766003184535956
],
[
0.765269494093312,
13.96627780619402,
0.5001848004640442
],
[
-0.765269494093312,
16.19666932619402,
3.5972055254640445
],
[
-0.765269494093312,
6.384674833805981,
5.863023909535956
],
[
-2.48749900555252,
11.52837077170199,
4.170751224747393
],
[
-2.48749900555252,
11.052973388298009,
5.289478210252607
],
[
2.48749900555252,
8.822581868298009,
2.192457485252607
],
[
2.48749900555252,
9.29797925170199,
1.073730499747393
],
[
-1.8567295304341105,
11.405482703175341,
1.9728335073908083
],
[
-1.8567295304341105,
6.715078416824659,
1.2933544776091919
],
[
1.8567295304341105,
8.94546993682466,
4.390375202609192
],
[
1.8567295304341105,
13.63587422317534,
5.069854232390808
],
[
0.17537478094415038,
5.244173701542259,
2.5406155002069375
],
[
0.17537478094415038,
12.876387418457739,
0.7255724847930627
],
[
-0.17537478094415038,
15.10677893845774,
3.8225932097930624
],
[
-0.17537478094415038,
7.474565221542259,
5.637636225206938
],
[
-0.7782228796517907,
14.869700105513328,
6.140355873973726
],
[
-0.7782228796517906,
7.711644054486673,
3.3198735610262746
],
[
0.7782228796517906,
5.481252534486672,
0.22285283602627481
],
[
0.7782228796517907,
12.639308585513326,
3.0433351489737253
]
] |
[{"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
] |
[
[
0.24131941,
0,
0
],
[
0,
0.42977377,
-0.07540488
],
[
0,
-0.0754049,
-0.12577033
]
] | -146.984218 | -158.504218 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.0025789,
0.00358956,
-0.01410953
],
[
-0.0025789,
-0.00358956,
0.01410953
],
[
0.0025789,
-0.00358956,
0.01410953
],
[
0.0025789,
0.00358956,
-0.01410953
],
[
0.00102898,
0.01582357,
-0.0346824
],
[
0.00102898,
-0.01582357,
0.0346824
],
[
-0.00102898,
-0.01582357,
0.0346824
],
[
-0.00102898,
0.01582357,
-0.0346824
],
[
0.00060309,
-0.00741706,
0.00998647
],
[
0.00060309,
0.00741706,
-0.00998647
],
[
-0.00060309,
0.00741706,
-0.00998647
],
[
-0.00060309,
-0.00741706,
0.00998647
],
[
-0.00558758,
0.00200974,
0.00493574
],
[
-0.00558758,
-0.00200974,
-0.00493574
],
[
0.00558758,
-0.00200974,
-0.00493574
],
[
0.00558758,
0.00200974,
0.00493574
],
[
0.00977259,
-0.01019767,
-0.0038045
],
[
0.00977259,
0.01019767,
0.0038045
],
[
-0.00977259,
0.01019767,
0.0038045
],
[
-0.00977259,
-0.01019767,
-0.0038045
]
] |
pbe
| true | 15 |
agm005266151-pbe-480
| 480 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26658501,
7.94464179,
0.08476654
],
[
-3.26658501,
7.94464179,
0.08476654
],
[
0,
4.46067815,
6.19392456
]
] |
agm005266151
|
[
[
1.633292505,
3.972320895,
0.04238327
],
[
-1.633292505,
6.20265997,
3.1393455500000003
],
[
0.7652408861755828,
4.1539726109691415,
2.7658416741240375
],
[
0.7652408861755831,
13.96565004403086,
0.5006536858759626
],
[
-0.7652408861755831,
16.19598911903086,
3.597615965875963
],
[
-0.7652408861755828,
6.384311685969141,
5.862803954124037
],
[
-2.487970463466677,
11.527801674450211,
4.170762261269171
],
[
-2.4879704634666764,
11.052499130549789,
5.289657658730829
],
[
2.4879704634666764,
8.822160055549789,
2.1926953787308294
],
[
2.487970463466677,
9.297462599450212,
1.0737999812691705
],
[
-1.8570462937004275,
11.404764800017519,
1.973023809663662
],
[
-1.8570462937004277,
6.7148578549824816,
1.2934715503363383
],
[
1.8570462937004277,
8.945196929982481,
4.390433830336338
],
[
1.8570462937004275,
13.635103875017519,
5.0699860896636615
],
[
0.1750564866810006,
5.243566734961654,
2.5403462484300623
],
[
0.17505648668100093,
12.876055920038347,
0.726149111569938
],
[
-0.17505648668100093,
15.106394995038347,
3.823111391569938
],
[
-0.1750564866810006,
7.4739058099616535,
5.6373085284300615
],
[
-0.7781124397514367,
14.869097203917782,
6.1404707842684605
],
[
-0.7781124397514365,
7.71120360108222,
3.319949135731539
],
[
0.7781124397514365,
5.48086452608222,
0.2229868557315396
],
[
0.7781124397514367,
12.638758128917782,
3.043508504268461
]
] |
[{"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
] |
[
[
0.25459449,
0,
0
],
[
0,
0.52042414,
-0.08280675
],
[
0,
-0.08280677,
-0.10304504
]
] | -146.984251 | -158.504251 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00043941,
0.00092682,
-0.01375079
],
[
-0.00043941,
-0.00092682,
0.01375079
],
[
0.00043941,
-0.00092682,
0.01375079
],
[
0.00043941,
0.00092682,
-0.01375079
],
[
0.00101907,
0.01025737,
-0.02167059
],
[
0.00101907,
-0.01025737,
0.02167059
],
[
-0.00101907,
-0.01025737,
0.02167059
],
[
-0.00101907,
0.01025737,
-0.02167059
],
[
0.00124426,
-0.00744224,
0.00775304
],
[
0.00124426,
0.00744224,
-0.00775304
],
[
-0.00124426,
0.00744224,
-0.00775304
],
[
-0.00124426,
-0.00744224,
0.00775304
],
[
-0.00834204,
0.00672183,
0.00380711
],
[
-0.00834204,
-0.00672183,
-0.00380711
],
[
0.00834204,
-0.00672183,
-0.00380711
],
[
0.00834204,
0.00672183,
0.00380711
],
[
0.00879196,
-0.00926956,
-0.00334344
],
[
0.00879196,
0.00926956,
0.00334344
],
[
-0.00879196,
0.00926956,
0.00334344
],
[
-0.00879196,
-0.00926956,
-0.00334344
]
] |
pbe
| true | 15 |
agm005266151-pbe-481
| 481 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26831158,
7.94331275,
0.08531526
],
[
-3.26831158,
7.94331275,
0.08531526
],
[
0,
4.46036348,
6.19357391
]
] |
agm005266151
|
[
[
1.63415579,
3.971656375,
0.04265763
],
[
-1.63415579,
6.201838114999999,
3.1394445849999997
],
[
0.765154719175277,
4.153040665021427,
2.7653571172354803
],
[
0.765154719175277,
13.963766574978571,
0.5020603577645193
],
[
-0.765154719175277,
16.19394831497857,
3.5988473127645193
],
[
-0.765154719175277,
6.383222405021427,
5.8621440722354805
],
[
-2.4893848821720352,
11.526094345411039,
4.170795291324069
],
[
-2.489384882172035,
11.051076374588959,
5.290196093675931
],
[
2.489384882172035,
8.82089463458896,
2.193409138675931
],
[
2.4893848821720352,
9.295912605411038,
1.0740083363240687
],
[
-1.8579966652027036,
11.402611011266204,
1.9735947986007467
],
[
-1.8579966652027036,
6.714196228733794,
1.2938226763992533
],
[
1.8579966652027036,
8.944377968733793,
4.390609631399253
],
[
1.8579966652027036,
13.632792751266205,
5.0703817536007465
],
[
0.17410116029523104,
5.241745961976614,
2.539538582395249
],
[
0.17410116029523115,
12.875061278023386,
0.7278788926047507
],
[
-0.17410116029523115,
15.105243018023387,
3.8246658476047504
],
[
-0.17410116029523104,
7.471927701976614,
5.6363255373952486
],
[
-0.7777807297386699,
14.867288220601575,
6.140815487817801
],
[
-0.77778072973867,
7.709882499398425,
3.3201758971821977
],
[
0.77778072973867,
5.479700759398424,
0.22338894218219796
],
[
0.7777807297386699,
12.637106480601574,
3.044028532817802
]
] |
[{"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
] |
[
[
0.25649188,
0,
0
],
[
0,
0.74228858,
-0.10178562
],
[
0,
-0.1017856,
-0.08557784
]
] | -146.984304 | -158.504304 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00581721,
-0.007598,
-0.01218256
],
[
0.00581721,
0.007598,
0.01218256
],
[
-0.00581721,
0.007598,
0.01218256
],
[
-0.00581721,
-0.007598,
-0.01218256
],
[
0.0006101,
-0.0067883,
0.0177451
],
[
0.0006101,
0.0067883,
-0.0177451
],
[
-0.0006101,
0.0067883,
-0.0177451
],
[
-0.0006101,
-0.0067883,
0.0177451
],
[
0.00264781,
-0.00827499,
0.00231937
],
[
0.00264781,
0.00827499,
-0.00231937
],
[
-0.00264781,
0.00827499,
-0.00231937
],
[
-0.00264781,
-0.00827499,
0.00231937
],
[
-0.01689194,
0.01951051,
-0.0001485
],
[
-0.01689194,
-0.01951051,
0.0001485
],
[
0.01689194,
-0.01951051,
0.0001485
],
[
0.01689194,
0.01951051,
-0.0001485
],
[
0.0067341,
-0.0073969,
-0.00209861
],
[
0.0067341,
0.0073969,
0.00209861
],
[
-0.0067341,
0.0073969,
0.00209861
],
[
-0.0067341,
-0.0073969,
-0.00209861
]
] |
pbe
| true | 15 |
agm005266151-pbe-482
| 482 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26909788,
7.94307242,
0.08550454
],
[
-3.26909788,
7.94307242,
0.08550454
],
[
0,
4.46037832,
6.19336894
]
] |
agm005266151
|
[
[
1.63454894,
3.97153621,
0.04275227
],
[
-1.63454894,
6.20172537,
3.13943674
],
[
0.765164722883012,
4.152751226553896,
2.7650378520903973
],
[
0.7651647228830121,
13.963582773446104,
0.5026556979096026
],
[
-0.7651647228830121,
16.193771933446104,
3.599340167909603
],
[
-0.765164722883012,
6.382940386553896,
5.861722322090397
],
[
-2.4900225245089906,
11.52577535273996,
4.1708333264956154
],
[
-2.490022524508991,
11.050936967260041,
5.290229163504384
],
[
2.490022524508991,
8.820747807260041,
2.193544693504384
],
[
2.4900225245089906,
9.29558619273996,
1.074148856495616
],
[
-1.858413984089202,
11.402099353266046,
1.9737792036937238
],
[
-1.8584139840892018,
6.714234646733954,
1.293914346306276
],
[
1.8584139840892018,
8.944423806733955,
4.390598816306277
],
[
1.858413984089202,
13.632288513266046,
5.070463673693723
],
[
0.1735905358310672,
5.241289471624422,
2.539150023122018
],
[
0.17359053583106743,
12.875044528375577,
0.7285435268779822
],
[
-0.17359053583106743,
15.105233688375577,
3.8252279968779823
],
[
-0.1735905358310672,
7.471478631624422,
5.635834493122018
],
[
-0.7776083805083382,
14.867049214979673,
6.140836317557715
],
[
-0.7776083805083379,
7.709663105020328,
3.320226172442285
],
[
0.7776083805083379,
5.479473945020328,
0.2235417024422846
],
[
0.7776083805083382,
12.636860054979673,
3.0441518475577154
]
] |
[{"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
] |
[
[
0.12881809,
0,
0
],
[
0,
0.47017427,
-0.10962669
],
[
0,
-0.10962676,
0.02788661
]
] | -146.984346 | -158.504346 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00219243,
-0.00339276,
-0.00717231
],
[
0.00219243,
0.00339276,
0.00717231
],
[
-0.00219243,
0.00339276,
0.00717231
],
[
-0.00219243,
-0.00339276,
-0.00717231
],
[
0.00011107,
-0.00299313,
0.00943498
],
[
0.00011107,
0.00299313,
-0.00943498
],
[
-0.00011107,
0.00299313,
-0.00943498
],
[
-0.00011107,
-0.00299313,
0.00943498
],
[
0.00212406,
-0.00661628,
-0.00015151
],
[
0.00212406,
0.00661628,
0.00015151
],
[
-0.00212406,
0.00661628,
0.00015151
],
[
-0.00212406,
-0.00661628,
-0.00015151
],
[
-0.01268632,
0.01282314,
-0.00010188
],
[
-0.01268632,
-0.01282314,
0.00010188
],
[
0.01268632,
-0.01282314,
0.00010188
],
[
0.01268632,
0.01282314,
-0.00010188
],
[
0.00447163,
-0.004429,
-0.00146013
],
[
0.00447163,
0.004429,
0.00146013
],
[
-0.00447163,
0.004429,
0.00146013
],
[
-0.00447163,
-0.004429,
-0.00146013
]
] |
pbe
| true | 15 |
agm005266151-pbe-483
| 483 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.26974235,
7.94287545,
0.08565967
],
[
-3.26974235,
7.94287545,
0.08565967
],
[
0,
4.46039048,
6.19320094
]
] |
agm005266151
|
[
[
1.634871175,
3.971437725,
0.042829835
],
[
-1.634871175,
6.201632965,
3.139430305
],
[
0.7651729086080346,
4.15251397329401,
2.764776194014531
],
[
0.7651729086080348,
13.96343216670599,
0.5031436159854686
],
[
-0.7651729086080348,
16.19362740670599,
3.5997440859854684
],
[
-0.7651729086080346,
6.38270921329401,
5.861376664014531
],
[
-2.4905451894785804,
11.525514039263317,
4.17086450875005
],
[
-2.490545189478581,
11.050822580736682,
5.29025624124995
],
[
2.490545189478581,
8.820627340736683,
2.1936557712499503
],
[
2.4905451894785804,
9.295318799263317,
1.0742640387500497
],
[
-1.8587560249639183,
11.401679931064919,
1.9739303640335388
],
[
-1.8587560249639183,
6.714266208935078,
1.293989445966461
],
[
1.8587560249639183,
8.94446144893508,
4.390589915966461
],
[
1.8587560249639183,
13.63187517106492,
5.070530834033539
],
[
0.17317196355100595,
5.240915321025902,
2.5388315853183467
],
[
0.17317196355100606,
12.875030818974098,
0.7290882246816532
],
[
-0.17317196355100606,
15.105226058974099,
3.825688694681653
],
[
-0.17317196355100595,
7.471110561025902,
5.635432055318346
],
[
-0.7774671071466108,
14.866853309182797,
6.140853343021603
],
[
-0.777467107146611,
7.709483310817204,
3.3202674069783966
],
[
0.777467107146611,
5.479288070817203,
0.2236669369783968
],
[
0.7774671071466108,
12.636658069182797,
3.0442528730216027
]
] |
[{"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
] |
[
[
0.0465823,
0,
0
],
[
0,
0.26940727,
-0.11945429
],
[
0,
-0.11945427,
0.14427828
]
] | -146.984371 | -158.504371 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00074906,
0.00054207,
-0.00329634
],
[
-0.00074906,
-0.00054207,
0.00329634
],
[
0.00074906,
-0.00054207,
0.00329634
],
[
0.00074906,
0.00054207,
-0.00329634
],
[
-0.00016677,
0.00033926,
0.00242946
],
[
-0.00016677,
-0.00033926,
-0.00242946
],
[
0.00016677,
-0.00033926,
-0.00242946
],
[
0.00016677,
0.00033926,
0.00242946
],
[
0.00177891,
-0.00463295,
-0.00258706
],
[
0.00177891,
0.00463295,
0.00258706
],
[
-0.00177891,
0.00463295,
0.00258706
],
[
-0.00177891,
-0.00463295,
-0.00258706
],
[
-0.00944767,
0.00747583,
-0.0003423
],
[
-0.00944767,
-0.00747583,
0.0003423
],
[
0.00944767,
-0.00747583,
0.0003423
],
[
0.00944767,
0.00747583,
-0.0003423
],
[
0.0026962,
-0.00141824,
-0.00130247
],
[
0.0026962,
0.00141824,
0.00130247
],
[
-0.0026962,
0.00141824,
0.00130247
],
[
-0.0026962,
-0.00141824,
-0.00130247
]
] |
pbe
| true | 15 |
agm005266151-pbe-484
| 484 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27103129,
7.94248149,
0.08596995
],
[
-3.27103129,
7.94248149,
0.08596995
],
[
0,
4.4604148,
6.19286494
]
] |
agm005266151
|
[
[
1.635515645,
3.971240745,
0.042984975
],
[
-1.635515645,
6.201448145,
3.139417445
],
[
0.7651891113487228,
4.152039620897379,
2.764252919706168
],
[
0.765189111348723,
13.963130759102622,
0.504119450293832
],
[
-0.765189111348723,
16.193338159102623,
3.6005519202938316
],
[
-0.7651891113487228,
6.3822470208973785,
5.860685389706167
],
[
-2.4915904915826244,
11.524991237183853,
4.170926892868405
],
[
-2.4915904915826244,
11.050593942816146,
5.290310417131595
],
[
2.4915904915826244,
8.820386542816145,
2.1938779471315955
],
[
2.4915904915826244,
9.294783837183852,
1.0744944228684044
],
[
-1.8594401106545233,
11.400840964008307,
1.9742326251096445
],
[
-1.8594401106545235,
6.714329415991692,
1.2941397448903555
],
[
1.8594401106545235,
8.944536815991691,
4.390572214890355
],
[
1.8594401106545233,
13.631048364008306,
5.070665095109645
],
[
0.1723343816445887,
5.240167051993543,
2.5381947012313066
],
[
0.17233438164458859,
12.875003328006455,
0.7301776687686931
],
[
-0.17233438164458859,
15.105210728006455,
3.826610138768693
],
[
-0.1723343816445887,
7.4703744519935436,
5.634627171231307
],
[
-0.7771842774819688,
14.866461618934547,
6.140887434800111
],
[
-0.7771842774819688,
7.709123561065453,
3.3203498751998892
],
[
0.7771842774819688,
5.478916161065452,
0.22391740519988879
],
[
0.7771842774819688,
12.636254218934546,
3.0444549648001114
]
] |
[{"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
] |
[
[
-0.14059356,
0,
0
],
[
0,
-0.18356914,
-0.13135012
],
[
0,
-0.13135015,
0.32396553
]
] | -146.98439 | -158.50439 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00675654,
0.00782747,
0.00548549
],
[
-0.00675654,
-0.00782747,
-0.00548549
],
[
0.00675654,
-0.00782747,
-0.00548549
],
[
0.00675654,
0.00782747,
0.00548549
],
[
-0.00106361,
0.00675084,
-0.01125272
],
[
-0.00106361,
-0.00675084,
0.01125272
],
[
0.00106361,
-0.00675084,
0.01125272
],
[
0.00106361,
0.00675084,
-0.01125272
],
[
0.00099581,
-0.00194978,
-0.00636346
],
[
0.00099581,
0.00194978,
0.00636346
],
[
-0.00099581,
0.00194978,
0.00636346
],
[
-0.00099581,
-0.00194978,
-0.00636346
],
[
-0.00346691,
-0.00435332,
-0.00082222
],
[
-0.00346691,
0.00435332,
0.00082222
],
[
0.00346691,
0.00435332,
0.00082222
],
[
0.00346691,
-0.00435332,
-0.00082222
],
[
-0.00044681,
0.00347169,
-0.0003636
],
[
-0.00044681,
-0.00347169,
0.0003636
],
[
0.00044681,
-0.00347169,
0.0003636
],
[
0.00044681,
0.00347169,
-0.0003636
]
] |
pbe
| true | 15 |
agm005266151-pbe-485
| 485 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27168445,
7.94214805,
0.08605167
],
[
-3.27168445,
7.94214805,
0.08605167
],
[
0,
4.46029193,
6.19280314
]
] |
agm005266151
|
[
[
1.635842225,
3.971074025,
0.043025835
],
[
-1.635842225,
6.20121999,
3.1394274049999997
],
[
0.765126856601996,
4.151763587241673,
2.7640519734613123
],
[
0.765126856601996,
13.962678477758327,
0.5044529365386876
],
[
-0.765126856601996,
16.192824442758326,
3.600854506538687
],
[
-0.765126856601996,
6.381909552241673,
5.860453543461312
],
[
-2.4921318533031522,
11.52455141734928,
4.170843329393663
],
[
-2.4921318533031522,
11.050182577650721,
5.290464720606336
],
[
2.4921318533031522,
8.820036612650721,
2.1940631506063366
],
[
2.4921318533031522,
9.294405452349277,
1.074441759393663
],
[
-1.8597761678826115,
11.400177680478224,
1.9742647096420747
],
[
-1.8597761678826115,
6.714264384521777,
1.2942402003579252
],
[
1.8597761678826115,
8.944410349521778,
4.390641770357925
],
[
1.8597761678826115,
13.630323645478224,
5.070666279642074
],
[
0.171851507370394,
5.239618191886862,
2.5378569441733507
],
[
0.1718515073703939,
12.87482387311314,
0.7306479658266489
],
[
-0.1718515073703939,
15.10496983811314,
3.827049535826649
],
[
-0.171851507370394,
7.469764156886862,
5.634258514173351
],
[
-0.777027805089938,
14.865989211936114,
6.14090539983369
],
[
-0.777027805089938,
7.708744783063887,
3.3204026501663093
],
[
0.777027805089938,
5.478598818063887,
0.2240010801663096
],
[
0.777027805089938,
12.635843246936114,
3.0445038298336904
]
] |
[{"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
] |
[
[
-0.2300173,
0,
0
],
[
0,
-0.33665681,
-0.1119571
],
[
0,
-0.11195715,
0.12461327
]
] | -146.984399 | -158.504399 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00471313,
0.00542069,
0.00360161
],
[
-0.00471313,
-0.00542069,
-0.00360161
],
[
0.00471313,
-0.00542069,
-0.00360161
],
[
0.00471313,
0.00542069,
0.00360161
],
[
-0.00115561,
-0.00118721,
0.00748818
],
[
-0.00115561,
0.00118721,
-0.00748818
],
[
0.00115561,
0.00118721,
-0.00748818
],
[
0.00115561,
-0.00118721,
0.00748818
],
[
-0.00185996,
0.00206857,
-0.00467734
],
[
-0.00185996,
-0.00206857,
0.00467734
],
[
0.00185996,
-0.00206857,
0.00467734
],
[
0.00185996,
0.00206857,
-0.00467734
],
[
-0.00200507,
-0.0051898,
-0.00133305
],
[
-0.00200507,
0.0051898,
0.00133305
],
[
0.00200507,
0.0051898,
0.00133305
],
[
0.00200507,
-0.0051898,
-0.00133305
],
[
-0.00189889,
0.00509738,
0.00011184
],
[
-0.00189889,
-0.00509738,
-0.00011184
],
[
0.00189889,
-0.00509738,
-0.00011184
],
[
0.00189889,
0.00509738,
0.00011184
]
] |
pbe
| true | 15 |
agm005266151-pbe-486
| 486 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27166413,
7.94215842,
0.08604913
],
[
-3.27166413,
7.94215842,
0.08604913
],
[
0,
4.46029575,
6.19280506
]
] |
agm005266151
|
[
[
1.635832065,
3.97107921,
0.043024565
],
[
-1.635832065,
6.201227085,
3.1394270950000003
],
[
0.7651288114116128,
4.151772140039334,
2.7640582531316182
],
[
0.7651288114116128,
13.962692574960665,
0.5044425368683816
],
[
-0.7651288114116128,
16.192840449960666,
3.6008450668683816
],
[
-0.7651288114116128,
6.381920015039334,
5.86046078313162
],
[
-2.492115000902434,
11.524565071211345,
4.170845901803178
],
[
-2.492115000902434,
11.050195393788655,
5.2904599481968235
],
[
2.492115000902434,
8.820047518788655,
2.1940574181968233
],
[
2.492115000902434,
9.294417196211345,
1.0744433718031772
],
[
-1.8597657294242733,
11.400198318954157,
1.9742636766831703
],
[
-1.8597657294242733,
6.7142663960458435,
1.29423711331683
],
[
1.8597657294242733,
8.944414271045844,
4.39063964331683
],
[
1.8597657294242733,
13.630346193954157,
5.07066620668317
],
[
0.17186656932754052,
5.2396352859132715,
2.5378674924366895
],
[
0.1718665693275403,
12.874829429086729,
0.7306332975633107
],
[
-0.1718665693275403,
15.104977304086729,
3.827035827563311
],
[
-0.17186656932754052,
7.469783160913272,
5.63427002243669
],
[
-0.7770326631986944,
14.866003891361554,
6.1409048552780146
],
[
-0.777032663198694,
7.708756573638449,
3.3204009947219864
],
[
0.777032663198694,
5.478608698638449,
0.223998464721986
],
[
0.7770326631986944,
12.635856016361553,
3.0445023252780143
]
] |
[{"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
] |
[
[
-0.22274591,
0,
0
],
[
0,
-0.33154355,
-0.11027515
],
[
0,
-0.11027522,
0.13021023
]
] | -146.984399 | -158.504399 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00462426,
0.00556949,
0.00418129
],
[
-0.00462426,
-0.00556949,
-0.00418129
],
[
0.00462426,
-0.00556949,
-0.00418129
],
[
0.00462426,
0.00556949,
0.00418129
],
[
-0.00119488,
-0.00100251,
0.00715343
],
[
-0.00119488,
0.00100251,
-0.00715343
],
[
0.00119488,
0.00100251,
-0.00715343
],
[
0.00119488,
-0.00100251,
0.00715343
],
[
-0.00174382,
0.00196385,
-0.00467876
],
[
-0.00174382,
-0.00196385,
0.00467876
],
[
0.00174382,
-0.00196385,
0.00467876
],
[
0.00174382,
0.00196385,
-0.00467876
],
[
-0.00167327,
-0.00493372,
-0.0007649
],
[
-0.00167327,
0.00493372,
0.0007649
],
[
0.00167327,
0.00493372,
0.0007649
],
[
0.00167327,
-0.00493372,
-0.0007649
],
[
-0.00234187,
0.00496649,
0.00030461
],
[
-0.00234187,
-0.00496649,
-0.00030461
],
[
0.00234187,
-0.00496649,
-0.00030461
],
[
0.00234187,
0.00496649,
0.00030461
]
] |
pbe
| true | 15 |
agm005266151-pbe-487
| 487 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27155754,
7.94221283,
0.08603579
],
[
-3.27155754,
7.94221283,
0.08603579
],
[
0,
4.4603158,
6.19281514
]
] |
agm005266151
|
[
[
1.63577877,
3.971106415,
0.043017895
],
[
-1.63577877,
6.2012643149999995,
3.1394254650000004
],
[
0.7651389548029169,
4.151817201491191,
2.7640909915220617
],
[
0.765138954802917,
13.962766358508807,
0.5043881584779384
],
[
-0.765138954802917,
16.192924258508807,
3.6007957284779386
],
[
-0.7651389548029169,
6.381975101491191,
5.860498561522062
],
[
-2.492026676422869,
11.52463678730403,
4.170859556010264
],
[
-2.492026676422869,
11.05026257269597,
5.290434733989737
],
[
2.492026676422869,
8.820104672695972,
2.1940271639897375
],
[
2.492026676422869,
9.29447888730403,
1.0744519860102633
],
[
-1.8597108966627014,
11.400306597256064,
1.9742584773580845
],
[
-1.8597108966627016,
6.714276962743934,
1.2942206726419156
],
[
1.8597108966627016,
8.944434862743934,
4.390628242641916
],
[
1.8597108966627014,
13.630464497256064,
5.070666047358085
],
[
0.1719453434266056,
5.239724782100124,
2.5379225743566995
],
[
0.1719453434266054,
12.874858777899876,
0.7305565756433008
],
[
-0.1719453434266054,
15.105016677899876,
3.8269641456433012
],
[
-0.1719453434266056,
7.469882682100123,
5.634330144356699
],
[
-0.7770582203883984,
14.866081024520469,
6.140901929573869
],
[
-0.777058220388399,
7.708818335479531,
3.320392360426132
],
[
0.777058220388399,
5.478660435479532,
0.22398479042613173
],
[
0.7770582203883984,
12.635923124520469,
3.0444943595738683
]
] |
[{"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
] |
[
[
-0.17364234,
0,
0
],
[
0,
-0.27405669,
-0.11258653
],
[
0,
-0.11258662,
0.19501091
]
] | -146.984398 | -158.504398 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00532857,
0.00580168,
0.00418375
],
[
-0.00532857,
-0.00580168,
-0.00418375
],
[
0.00532857,
-0.00580168,
-0.00418375
],
[
0.00532857,
0.00580168,
0.00418375
],
[
-0.0014681,
0.00022522,
0.00398587
],
[
-0.0014681,
-0.00022522,
-0.00398587
],
[
0.0014681,
-0.00022522,
-0.00398587
],
[
0.0014681,
0.00022522,
0.00398587
],
[
-0.00150652,
0.00109297,
-0.00526494
],
[
-0.00150652,
-0.00109297,
0.00526494
],
[
0.00150652,
-0.00109297,
0.00526494
],
[
0.00150652,
0.00109297,
-0.00526494
],
[
-0.00253753,
-0.00515709,
-0.00079205
],
[
-0.00253753,
0.00515709,
0.00079205
],
[
0.00253753,
0.00515709,
0.00079205
],
[
0.00253753,
-0.00515709,
-0.00079205
],
[
-0.00212715,
0.00511179,
0.00028922
],
[
-0.00212715,
-0.00511179,
-0.00028922
],
[
0.00212715,
-0.00511179,
-0.00028922
],
[
0.00212715,
0.00511179,
0.00028922
]
] |
pbe
| true | 15 |
agm005266151-pbe-488
| 488 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27161268,
7.94218468,
0.08604269
],
[
-3.27161268,
7.94218468,
0.08604269
],
[
0,
4.46030543,
6.19280993
]
] |
agm005266151
|
[
[
1.63580634,
3.97109234,
0.043021345
],
[
-1.63580634,
6.201245055,
3.13942631
],
[
0.76513369327794,
4.151793857495139,
2.7640740528039345
],
[
0.7651336932779405,
13.962728217504862,
0.5044162921960658
],
[
-0.7651336932779405,
16.192880932504863,
3.6008212571960656
],
[
-0.76513369327794,
6.381946572495139,
5.860479017803934
],
[
-2.4920723748534264,
11.52459967324781,
4.170852527617646
],
[
-2.4920723748534264,
11.050227831752192,
5.290447747382355
],
[
2.4920723748534264,
8.820075116752191,
2.194042782382355
],
[
2.4920723748534264,
9.29444695824781,
1.0744475626176453
],
[
-1.8597392310111298,
11.400250569491769,
1.9742611570781303
],
[
-1.8597392310111303,
6.714271505508233,
1.29422918792187
],
[
1.8597392310111303,
8.944424220508232,
4.39063415292187
],
[
1.8597392310111298,
13.63040328449177,
5.070666122078131
],
[
0.17190456542559718,
5.239678493852451,
2.5378940704540778
],
[
0.17190456542559707,
12.87484358114755,
0.7305962745459222
],
[
-0.17190456542559707,
15.10499629614755,
3.8270012395459228
],
[
-0.17190456542559718,
7.469831208852451,
5.634299035454078
],
[
-0.7770449807232838,
14.866041160360432,
6.140903442754683
],
[
-0.777044980723284,
7.708786344639569,
3.320396832245317
],
[
0.777044980723284,
5.478633629639569,
0.223991867245317
],
[
0.7770449807232838,
12.635888445360433,
3.044498477754683
]
] |
[{"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
] |
[
[
-0.2057584,
0,
0
],
[
0,
-0.32321561,
-0.11290816
],
[
0,
-0.11290821,
0.14957642
]
] | -146.984399 | -158.504399 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00487675,
0.00583783,
0.00430204
],
[
-0.00487675,
-0.00583783,
-0.00430204
],
[
0.00487675,
-0.00583783,
-0.00430204
],
[
0.00487675,
0.00583783,
0.00430204
],
[
-0.00120443,
-0.00032989,
0.00554865
],
[
-0.00120443,
0.00032989,
-0.00554865
],
[
0.00120443,
0.00032989,
-0.00554865
],
[
0.00120443,
-0.00032989,
0.00554865
],
[
-0.00149387,
0.00132475,
-0.00479617
],
[
-0.00149387,
-0.00132475,
0.00479617
],
[
0.00149387,
-0.00132475,
0.00479617
],
[
0.00149387,
0.00132475,
-0.00479617
],
[
-0.00267732,
-0.0056226,
-0.00133111
],
[
-0.00267732,
0.0056226,
0.00133111
],
[
0.00267732,
0.0056226,
0.00133111
],
[
0.00267732,
-0.0056226,
-0.00133111
],
[
-0.00134439,
0.00504597,
0.00019273
],
[
-0.00134439,
-0.00504597,
-0.00019273
],
[
0.00134439,
-0.00504597,
-0.00019273
],
[
0.00134439,
0.00504597,
0.00019273
]
] |
pbe
| true | 15 |
agm005266151-pbe-489
| 489 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.50854704,
7.17992627,
-0.04847468
],
[
-3.50854704,
7.17992627,
-0.04847468
],
[
0,
3.93781228,
6.08100794
]
] |
agm005266151
|
[
[
1.75427352,
3.589963135,
-0.02423734
],
[
-1.75427352,
5.558869275,
3.01626663
],
[
0.7950460919991262,
3.7490628956853014,
2.6731568828877172
],
[
0.7950460919991262,
12.5796957843147,
0.270397727112283
],
[
-0.7950460919991262,
14.5486019243147,
3.3109016971122833
],
[
-0.7950460919991262,
5.717969035685301,
5.713660852887717
],
[
-2.695951230792264,
10.366740128094712,
3.949594990110211
],
[
-2.695951230792264,
9.89983083190529,
5.07496755988979
],
[
2.695951230792264,
7.93092469190529,
2.0344635898897896
],
[
2.695951230792264,
8.39783398809471,
0.9090910201102104
],
[
-1.9972795228194957,
10.276997777278059,
1.7744125011312843
],
[
-1.9972795228194962,
6.051760902721943,
1.1691421088687157
],
[
1.9972795228194962,
8.020667042721943,
4.209646078868715
],
[
1.9972795228194957,
12.245903917278058,
4.814916471131285
],
[
0.12886623119797924,
4.78908412031756,
2.421956110092387
],
[
0.1288662311979789,
11.53967455968244,
0.5215984999076131
],
[
-0.1288662311979789,
13.508580699682442,
3.562102469907613
],
[
-0.12886623119797924,
6.75799026031756,
5.462460080092386
],
[
-1.0511191169015763,
13.125387093929982,
5.795072994651803
],
[
-1.051119116901576,
7.141183866070019,
3.2294895553481977
],
[
1.051119116901576,
5.1722777260700195,
0.18898558534819782
],
[
1.0511191169015763,
11.156480953929982,
2.7545690246518024
]
] |
[{"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
] |
[
[
1.29716323,
0,
0
],
[
0,
0.28362266,
1.44942096
],
[
0,
1.44942091,
-0.91929988
]
] | -146.832654 | -158.352654 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01436088,
-0.02588396,
0.06400532
],
[
-0.01436088,
0.02588396,
-0.06400532
],
[
0.01436088,
0.02588396,
-0.06400532
],
[
0.01436088,
-0.02588396,
0.06400532
],
[
0.03276459,
-0.06080837,
0.17733194
],
[
0.03276459,
0.06080837,
-0.17733194
],
[
-0.03276459,
0.06080837,
-0.17733194
],
[
-0.03276459,
-0.06080837,
0.17733194
],
[
0.03932225,
-0.01780198,
0.03378022
],
[
0.03932225,
0.01780198,
-0.03378022
],
[
-0.03932225,
0.01780198,
-0.03378022
],
[
-0.03932225,
-0.01780198,
0.03378022
],
[
0.04039393,
-0.01305016,
0.02174338
],
[
0.04039393,
0.01305016,
-0.02174338
],
[
-0.04039393,
0.01305016,
-0.02174338
],
[
-0.04039393,
-0.01305016,
0.02174338
],
[
0.00623529,
0.01142862,
0.00457854
],
[
0.00623529,
-0.01142862,
-0.00457854
],
[
-0.00623529,
-0.01142862,
-0.00457854
],
[
-0.00623529,
0.01142862,
0.00457854
]
] |
pbe
| true | 15 |
agm005266151-pbe-49
| 49 | 0 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27164035,
7.94217056,
0.08604615
],
[
-3.27164035,
7.94217056,
0.08604615
],
[
0,
4.46030023,
6.19280731
]
] |
agm005266151
|
[
[
1.635820175,
3.97108528,
0.043023075
],
[
-1.635820175,
6.201235394999999,
3.13942673
],
[
0.7651310693145019,
4.151782183946642,
2.76406554902651
],
[
0.7651310693145019,
13.962709051053357,
0.5044304059734899
],
[
-0.7651310693145019,
16.192859166053356,
3.6008340609734897
],
[
-0.7651310693145019,
6.3819322989466425,
5.8604692040265105
],
[
-2.4920953166462922,
11.524581132207498,
4.170848953731831
],
[
-2.4920953166462922,
11.050210332792503,
5.290454311268169
],
[
2.4920953166462922,
8.820060217792502,
2.194050656268169
],
[
2.4920953166462922,
9.294431017207499,
1.0744452987318311
],
[
-1.8597534877083803,
11.400222494153411,
1.9742625050760745
],
[
-1.8597534877083801,
6.714268740846588,
1.2942334499239254
],
[
1.8597534877083801,
8.944418855846589,
4.3906371049239254
],
[
1.8597534877083803,
13.630372609153412,
5.070666160076074
],
[
0.17188409933575644,
5.23965526223655,
2.537879785393867
],
[
0.17188409933575644,
12.87483597276345,
0.730616169606133
],
[
-0.17188409933575644,
15.104986087763448,
3.8270198246061327
],
[
-0.17188409933575644,
7.4698053772365505,
5.634283440393867
],
[
-0.777038367950345,
14.866021092012675,
6.140904166612921
],
[
-0.7770383679503446,
7.708770372987324,
3.320399098387079
],
[
0.7770383679503446,
5.478620257987325,
0.2239954433870795
],
[
0.777038367950345,
12.635870977012676,
3.0445005116129202
]
] |
[{"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
] |
[
[
-0.20754861,
0,
0
],
[
0,
-0.32442205,
-0.11262989
],
[
0,
-0.1126299,
0.14301881
]
] | -146.984399 | -158.504399 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00476142,
0.00577515,
0.0041899
],
[
-0.00476142,
-0.00577515,
-0.0041899
],
[
0.00476142,
-0.00577515,
-0.0041899
],
[
0.00476142,
0.00577515,
0.0041899
],
[
-0.00116231,
-0.00061264,
0.00632939
],
[
-0.00116231,
0.00061264,
-0.00632939
],
[
0.00116231,
0.00061264,
-0.00632939
],
[
0.00116231,
-0.00061264,
0.00632939
],
[
-0.00151412,
0.00162555,
-0.00508304
],
[
-0.00151412,
-0.00162555,
0.00508304
],
[
0.00151412,
-0.00162555,
0.00508304
],
[
0.00151412,
0.00162555,
-0.00508304
],
[
-0.00272069,
-0.00541459,
-0.00130142
],
[
-0.00272069,
0.00541459,
0.00130142
],
[
0.00272069,
0.00541459,
0.00130142
],
[
0.00272069,
-0.00541459,
-0.00130142
],
[
-0.00164699,
0.00544034,
0.00021977
],
[
-0.00164699,
-0.00544034,
-0.00021977
],
[
0.00164699,
-0.00544034,
-0.00021977
],
[
0.00164699,
0.00544034,
0.00021977
]
] |
pbe
| true | 15 |
agm005266151-pbe-490
| 490 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27165109,
7.94216508,
0.0860475
],
[
-3.27165109,
7.94216508,
0.0860475
],
[
0,
4.46029821,
6.19280629
]
] |
agm005266151
|
[
[
1.635825545,
3.97108254,
0.04302375
],
[
-1.635825545,
6.201231645,
3.139426895
],
[
0.7651300476706375,
4.1517776267490465,
2.764062249325147
],
[
0.7651300476706377,
13.962701638250953,
0.5044358956748529
],
[
-0.7651300476706377,
16.192850743250954,
3.600839040674853
],
[
-0.7651300476706375,
6.381926731749047,
5.860465394325146
],
[
-2.4921042173526793,
11.524573904088921,
4.1708475915208965
],
[
-2.4921042173526797,
11.050203570911078,
5.290456843479104
],
[
2.4921042173526797,
8.820054465911078,
2.194053698479104
],
[
2.4921042173526793,
9.29442479908892,
1.074444446520896
],
[
-1.8597590039298162,
11.400211666505637,
1.9742630729601967
],
[
-1.8597590039298155,
6.714267598494363,
1.2942350720398035
],
[
1.8597590039298155,
8.944416703494364,
4.390638217039803
],
[
1.8597590039298162,
13.630360771505636,
5.070666217960197
],
[
0.17187619001315002,
5.239646258041364,
2.5378741806331067
],
[
0.1718761900131498,
12.874833006958637,
0.7306239643668933
],
[
-0.1718761900131498,
15.104982111958638,
3.827027109366893
],
[
-0.17187619001315002,
7.4697953630413645,
5.634277325633107
],
[
-0.7770357822862133,
14.866013333730582,
6.140904487375633
],
[
-0.7770357822862131,
7.708764141269417,
3.320399947624366
],
[
0.7770357822862131,
5.478615036269417,
0.22399680262436622
],
[
0.7770357822862133,
12.635864228730581,
3.044501342375634
]
] |
[{"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
] |
[
[
-0.22869519,
0,
0
],
[
0,
-0.33967955,
-0.10996324
],
[
0,
-0.1099632,
0.12369636
]
] | -146.984399 | -158.504399 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00478289,
0.00550263,
0.0042203
],
[
-0.00478289,
-0.00550263,
-0.0042203
],
[
0.00478289,
-0.00550263,
-0.0042203
],
[
0.00478289,
0.00550263,
0.0042203
],
[
-0.00129225,
-0.00093146,
0.00680941
],
[
-0.00129225,
0.00093146,
-0.00680941
],
[
0.00129225,
0.00093146,
-0.00680941
],
[
0.00129225,
-0.00093146,
0.00680941
],
[
-0.00184178,
0.00179189,
-0.00464463
],
[
-0.00184178,
-0.00179189,
0.00464463
],
[
0.00184178,
-0.00179189,
0.00464463
],
[
0.00184178,
0.00179189,
-0.00464463
],
[
-0.00200497,
-0.00518371,
-0.00096268
],
[
-0.00200497,
0.00518371,
0.00096268
],
[
0.00200497,
0.00518371,
0.00096268
],
[
0.00200497,
-0.00518371,
-0.00096268
],
[
-0.00220135,
0.00490457,
0.00026883
],
[
-0.00220135,
-0.00490457,
-0.00026883
],
[
0.00220135,
-0.00490457,
-0.00026883
],
[
0.00220135,
0.00490457,
0.00026883
]
] |
pbe
| true | 15 |
agm005266151-pbe-491
| 491 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27177425,
7.94184763,
0.08599952
],
[
-3.27177425,
7.94184763,
0.08599952
],
[
0,
4.46008246,
6.19281152
]
] |
agm005266151
|
[
[
1.635887125,
3.970923815,
0.04299976
],
[
-1.635887125,
6.200965045,
3.13940552
],
[
0.7650544810874449,
4.151608340890942,
2.7640343448836258
],
[
0.7650544810874456,
13.962128149109057,
0.5043704551163743
],
[
-0.7650544810874456,
16.192169379109057,
3.6007762151163742
],
[
-0.7650544810874449,
6.381649570890941,
5.860440104883626
],
[
-2.4922221773156377,
11.52408044601717,
4.170823953372229
],
[
-2.4922221773156377,
11.04973850398283,
5.2903923666277715
],
[
2.4922221773156377,
8.819697273982829,
2.1939866066277713
],
[
2.4922221773156377,
9.29403921601717,
1.0744181933722288
],
[
-1.8598358191059747,
11.399703182378902,
1.9741466686910338
],
[
-1.859835819105975,
6.714033307621097,
1.2942581313089665
],
[
1.859835819105975,
8.944074537621097,
4.390663891308966
],
[
1.8598358191059747,
13.629744412378901,
5.070552428691033
],
[
0.17171805726123246,
5.23927410821499,
2.5377482968691756
],
[
0.17171805726123246,
12.87446238178501,
0.730656503130824
],
[
-0.17171805726123246,
15.10450361178501,
3.827062263130824
],
[
-0.17171805726123246,
7.46931533821499,
5.634154056869177
],
[
-0.7769969151483398,
14.865452486057992,
6.140839866674352
],
[
-0.7769969151483399,
7.70836646394201,
3.320376453325648
],
[
0.7769969151483399,
5.47832523394201,
0.223970693325648
],
[
0.7769969151483398,
12.635411256057992,
3.044434106674352
]
] |
[{"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
] |
[
[
-0.1830355,
0,
0
],
[
0,
-0.1927631,
-0.15757146
],
[
0,
-0.15757153,
0.08810411
]
] | -146.984408 | -158.504408 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00081213,
-0.0011978,
0.00316486
],
[
-0.00081213,
0.0011978,
-0.00316486
],
[
0.00081213,
0.0011978,
-0.00316486
],
[
0.00081213,
-0.0011978,
0.00316486
],
[
-0.00119047,
0.00131377,
0.00097551
],
[
-0.00119047,
-0.00131377,
-0.00097551
],
[
0.00119047,
-0.00131377,
-0.00097551
],
[
0.00119047,
0.00131377,
0.00097551
],
[
-0.00325012,
0.00288819,
-0.00192414
],
[
-0.00325012,
-0.00288819,
0.00192414
],
[
0.00325012,
-0.00288819,
0.00192414
],
[
0.00325012,
0.00288819,
-0.00192414
],
[
-0.0049337,
-0.00112933,
-0.0018521
],
[
-0.0049337,
0.00112933,
0.0018521
],
[
0.0049337,
0.00112933,
0.0018521
],
[
0.0049337,
-0.00112933,
-0.0018521
],
[
-0.00119684,
0.00377998,
0.00027006
],
[
-0.00119684,
-0.00377998,
-0.00027006
],
[
0.00119684,
-0.00377998,
-0.00027006
],
[
0.00119684,
0.00377998,
0.00027006
]
] |
pbe
| true | 15 |
agm005266151-pbe-492
| 492 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27183717,
7.94168545,
0.08597501
],
[
-3.27183717,
7.94168545,
0.08597501
],
[
0,
4.45997224,
6.19281418
]
] |
agm005266151
|
[
[
1.635918585,
3.970842725,
0.042987505
],
[
-1.635918585,
6.200828845,
3.139394595
],
[
0.7650158957417865,
4.151521816900807,
2.764020086640807
],
[
0.7650158957417865,
13.961835203099191,
0.5043370233591933
],
[
-0.7650158957417865,
16.19182132309919,
3.6007441133591933
],
[
-0.7650158957417865,
6.381507936900808,
5.860427176640807
],
[
-2.4922824404544865,
11.52382847908778,
4.1708118787664565
],
[
-2.4922824404544865,
11.049500780912222,
5.290359411233543
],
[
2.4922824404544865,
8.819514660912223,
2.1939523212335437
],
[
2.4922824404544865,
9.293842359087778,
1.074404788766457
],
[
-1.859875054045579,
11.399443414644383,
1.974087202345183
],
[
-1.8598750540455793,
6.713913605355616,
1.2942699076548172
],
[
1.8598750540455793,
8.943899725355616,
4.3906769976548174
],
[
1.859875054045579,
13.629429534644382,
5.070494292345183
],
[
0.17163730610103,
5.239084050819861,
2.5376839333742045
],
[
0.17163730610103034,
12.874272969180137,
0.7306731766257955
],
[
-0.17163730610103034,
15.104259089180136,
3.8270802666257953
],
[
-0.17163730610103,
7.469070170819862,
5.634091023374205
],
[
-0.7769770126311291,
14.865165948834097,
6.140806857314789
],
[
-0.7769770126311292,
7.708163311165903,
3.3203644326852113
],
[
0.7769770126311292,
5.478177191165903,
0.2239573426852115
],
[
0.7769770126311291,
12.635179828834096,
3.0443997673147885
]
] |
[{"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
] |
[
[
-0.17208355,
0,
0
],
[
0,
-0.13735163,
-0.18320539
],
[
0,
-0.18320545,
0.05915045
]
] | -146.984411 | -158.504411 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00146695,
-0.00451098,
0.00285092
],
[
0.00146695,
0.00451098,
-0.00285092
],
[
-0.00146695,
0.00451098,
-0.00285092
],
[
-0.00146695,
-0.00451098,
0.00285092
],
[
-0.00115526,
0.00245246,
-0.0019223
],
[
-0.00115526,
-0.00245246,
0.0019223
],
[
0.00115526,
-0.00245246,
0.0019223
],
[
0.00115526,
0.00245246,
-0.0019223
],
[
-0.00405481,
0.00345446,
-0.00056637
],
[
-0.00405481,
-0.00345446,
0.00056637
],
[
0.00405481,
-0.00345446,
0.00056637
],
[
0.00405481,
0.00345446,
-0.00056637
],
[
-0.00658329,
0.00077989,
-0.00218182
],
[
-0.00658329,
-0.00077989,
0.00218182
],
[
0.00658329,
-0.00077989,
0.00218182
],
[
0.00658329,
0.00077989,
-0.00218182
],
[
-0.00062992,
0.0034555,
0.00030712
],
[
-0.00062992,
-0.0034555,
-0.00030712
],
[
0.00062992,
-0.0034555,
-0.00030712
],
[
0.00062992,
0.0034555,
0.00030712
]
] |
pbe
| true | 15 |
agm005266151-pbe-493
| 493 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27196301,
7.94136109,
0.08592599
],
[
-3.27196301,
7.94136109,
0.08592599
],
[
0,
4.4597518,
6.19281952
]
] |
agm005266151
|
[
[
1.635981505,
3.970680545,
0.042962995
],
[
-1.635981505,
6.200556445,
3.1393727549999997
],
[
0.7649386861810386,
4.151348847674257,
2.7639915795992946
],
[
0.7649386861810386,
13.961249232325743,
0.5042701604007049
],
[
-0.7649386861810386,
16.191125132325745,
3.600679920400705
],
[
-0.7649386861810386,
6.381224747674257,
5.860401339599295
],
[
-2.4924029681554343,
11.523324431255404,
4.170787803212918
],
[
-2.4924029681554343,
11.049025448744597,
5.290293456787081
],
[
2.4924029681554343,
8.819149548744598,
2.193883696787081
],
[
2.4924029681554343,
9.293448531255402,
1.0743780432129189
],
[
-1.8599535243249585,
11.398924085740978,
1.9739683392514427
],
[
-1.8599535243249588,
6.713673994259023,
1.294293400748557
],
[
1.8599535243249588,
8.943549894259023,
4.390703160748557
],
[
1.8599535243249585,
13.62879998574098,
5.0703780992514424
],
[
0.17147576136250609,
5.238703752626808,
2.537555274338525
],
[
0.17147576136250642,
12.873894327373192,
0.7307064656614746
],
[
-0.17147576136250642,
15.103770227373191,
3.827116225661474
],
[
-0.17147576136250609,
7.46857965262681,
5.633965034338525
],
[
-0.7769372690153795,
14.864592914680266,
6.140740919271448
],
[
-0.7769372690153795,
7.707756965319735,
3.320340340728551
],
[
0.7769372690153795,
5.477881065319735,
0.2239305807285513
],
[
0.7769372690153795,
12.634717014680264,
3.0443311592714486
]
] |
[{"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
] |
[
[
-0.12830467,
0,
0
],
[
0,
0.02134699,
-0.23075014
],
[
0,
-0.23075017,
0.02431067
]
] | -146.984412 | -158.504412 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.0057833,
-0.01142777,
0.00187015
],
[
0.0057833,
0.01142777,
-0.00187015
],
[
-0.0057833,
0.01142777,
-0.00187015
],
[
-0.0057833,
-0.01142777,
0.00187015
],
[
-0.00083082,
0.00466572,
-0.0077624
],
[
-0.00083082,
-0.00466572,
0.0077624
],
[
0.00083082,
-0.00466572,
0.0077624
],
[
0.00083082,
0.00466572,
-0.0077624
],
[
-0.00543382,
0.00503083,
0.00258136
],
[
-0.00543382,
-0.00503083,
-0.00258136
],
[
0.00543382,
-0.00503083,
-0.00258136
],
[
0.00543382,
0.00503083,
0.00258136
],
[
-0.00855306,
0.0056338,
-0.00271199
],
[
-0.00855306,
-0.0056338,
0.00271199
],
[
0.00855306,
-0.0056338,
0.00271199
],
[
0.00855306,
0.0056338,
-0.00271199
],
[
-0.00009465,
0.00182183,
0.00031953
],
[
-0.00009465,
-0.00182183,
-0.00031953
],
[
0.00009465,
-0.00182183,
-0.00031953
],
[
0.00009465,
0.00182183,
0.00031953
]
] |
pbe
| true | 15 |
agm005266151-pbe-494
| 494 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27192535,
7.94145817,
0.08594066
],
[
-3.27192535,
7.94145817,
0.08594066
],
[
0,
4.45981778,
6.19281792
]
] |
agm005266151
|
[
[
1.635962675,
3.970729085,
0.04297033
],
[
-1.635962675,
6.200637974999999,
3.1393792900000004
],
[
0.7649617830777136,
4.151400641490266,
2.764000135404944
],
[
0.7649617830777133,
13.961424588509734,
0.5042901445950563
],
[
-0.7649617830777133,
16.191333478509733,
3.6006991045950567
],
[
-0.7649617830777136,
6.381309531490265,
5.860409095404944
],
[
-2.4923669189893736,
11.52347533713422,
4.170795019367426
],
[
-2.4923669189893736,
11.049167672865778,
5.290313180632574
],
[
2.4923669189893736,
8.819258782865779,
2.1939042206325743
],
[
2.4923669189893736,
9.29356644713422,
1.074386059367426
],
[
-1.8599300223949342,
11.399079461702513,
1.9740038969563911
],
[
-1.8599300223949342,
6.713745768297487,
1.294286383043609
],
[
1.8599300223949342,
8.943654658297488,
4.390695343043609
],
[
1.8599300223949342,
13.628988351702514,
5.070412856956391
],
[
0.17152410990379652,
5.23881763945272,
2.5375937891617206
],
[
0.17152410990379696,
12.87400759054728,
0.730696490838279
],
[
-0.17152410990379696,
15.103916480547278,
3.827105450838279
],
[
-0.17152410990379652,
7.46872652945272,
5.634002749161722
],
[
-0.7769491687017622,
14.864764506967557,
6.140760662589841
],
[
-0.776949168701762,
7.707878503032443,
3.3203475374101603
],
[
0.776949168701762,
5.477969613032443,
0.2239385774101596
],
[
0.7769491687017622,
12.634855616967556,
3.044351702589841
]
] |
[{"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
] |
[
[
-0.14329552,
0,
0
],
[
0,
-0.0275523,
-0.21405025
],
[
0,
-0.21405031,
0.03541734
]
] | -146.984412 | -158.504412 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00419341,
-0.00928928,
0.00217902
],
[
0.00419341,
0.00928928,
-0.00217902
],
[
-0.00419341,
0.00928928,
-0.00217902
],
[
-0.00419341,
-0.00928928,
0.00217902
],
[
-0.00093949,
0.00401884,
-0.006074
],
[
-0.00093949,
-0.00401884,
0.006074
],
[
0.00093949,
-0.00401884,
0.006074
],
[
0.00093949,
0.00401884,
-0.006074
],
[
-0.00496699,
0.0046434,
0.00167776
],
[
-0.00496699,
-0.0046434,
-0.00167776
],
[
0.00496699,
-0.0046434,
-0.00167776
],
[
0.00496699,
0.0046434,
0.00167776
],
[
-0.00751063,
0.00452712,
-0.00222778
],
[
-0.00751063,
-0.00452712,
0.00222778
],
[
0.00751063,
-0.00452712,
0.00222778
],
[
0.00751063,
0.00452712,
-0.00222778
],
[
-0.00065444,
0.00193289,
0.00029797
],
[
-0.00065444,
-0.00193289,
-0.00029797
],
[
0.00065444,
-0.00193289,
-0.00029797
],
[
0.00065444,
0.00193289,
0.00029797
]
] |
pbe
| true | 15 |
agm005266151-pbe-495
| 495 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27200358,
7.94118123,
0.08581222
],
[
-3.27200358,
7.94118123,
0.08581222
],
[
0,
4.45956247,
6.19278395
]
] |
agm005266151
|
[
[
1.63600179,
3.970590615,
0.04290611
],
[
-1.63600179,
6.20037185,
3.139298085
],
[
0.7649172177195119,
4.151169290433061,
2.7639481925533995
],
[
0.7649172177195118,
13.960974404566938,
0.5040682224466004
],
[
-0.7649172177195118,
16.190755639566937,
3.6004601974466004
],
[
-0.7649172177195119,
6.380950525433061,
5.8603401675533995
],
[
-2.4924520317886154,
11.523024137517533,
4.170619511026118
],
[
-2.4924520317886154,
11.048682027482466,
5.290180853973881
],
[
2.4924520317886154,
8.818900792482466,
2.193788878973882
],
[
2.4924520317886154,
9.293242902517534,
1.074227536026118
],
[
-1.860008750212922,
11.398644149732835,
1.9737930330928914
],
[
-1.8600087502129214,
6.713499545267165,
1.2942233819071087
],
[
1.8600087502129214,
8.943280780267166,
4.390615356907109
],
[
1.860008750212922,
13.628425384732836,
5.070185008092891
],
[
0.1713478253969387,
5.238497625044788,
2.5374222173138783
],
[
0.1713478253969387,
12.873646069955209,
0.7305941976861214
],
[
-0.1713478253969387,
15.10342730495521,
3.8269861726861216
],
[
-0.1713478253969387,
7.468278860044789,
5.633814192313878
],
[
-0.7769147386863695,
14.86421829928203,
6.140554018858812
],
[
-0.7769147386863695,
7.707487865717971,
3.320246346141188
],
[
0.7769147386863695,
5.477706630717971,
0.22385437114118828
],
[
0.7769147386863695,
12.634437064282029,
3.0441620438588113
]
] |
[{"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
] |
[
[
-0.13382921,
0,
0
],
[
0,
0.00470229,
-0.18308774
],
[
0,
-0.18308771,
-0.03484858
]
] | -146.984419 | -158.504419 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00431186,
-0.00871381,
0.00066208
],
[
0.00431186,
0.00871381,
-0.00066208
],
[
-0.00431186,
0.00871381,
-0.00066208
],
[
-0.00431186,
-0.00871381,
0.00066208
],
[
-0.000841,
0.00188477,
-0.00117852
],
[
-0.000841,
-0.00188477,
0.00117852
],
[
0.000841,
-0.00188477,
0.00117852
],
[
0.000841,
0.00188477,
-0.00117852
],
[
-0.00479549,
0.00398301,
0.00261846
],
[
-0.00479549,
-0.00398301,
-0.00261846
],
[
0.00479549,
-0.00398301,
-0.00261846
],
[
0.00479549,
0.00398301,
0.00261846
],
[
-0.00800635,
0.00391591,
-0.00172904
],
[
-0.00800635,
-0.00391591,
0.00172904
],
[
0.00800635,
-0.00391591,
0.00172904
],
[
0.00800635,
0.00391591,
-0.00172904
],
[
0.00060674,
0.00092204,
0.00025596
],
[
0.00060674,
-0.00092204,
-0.00025596
],
[
-0.00060674,
-0.00092204,
-0.00025596
],
[
-0.00060674,
0.00092204,
0.00025596
]
] |
pbe
| true | 15 |
agm005266151-pbe-496
| 496 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27223827,
7.94035041,
0.08542692
],
[
-3.27223827,
7.94035041,
0.08542692
],
[
0,
4.45879653,
6.19268204
]
] |
agm005266151
|
[
[
1.636119135,
3.970175205,
0.04271346
],
[
-1.636119135,
6.19957347,
3.13905448
],
[
0.7647835690560932,
4.150475295417744,
2.7637924395523576
],
[
0.7647835690560933,
13.959623789582256,
0.5034024204476424
],
[
-0.7647835690560933,
16.189022054582257,
3.5997434404476425
],
[
-0.7647835690560932,
6.379873560417743,
5.860133459552358
],
[
-2.492707442953436,
11.52167068685679,
4.170093005084571
],
[
-2.492707442953436,
11.04722492814321,
5.28978389491543
],
[
2.492707442953436,
8.81782666314321,
2.1934428749154296
],
[
2.492707442953436,
9.29227242185679,
1.0737519850845705
],
[
-1.8602449107733199,
11.397337938641911,
1.9731604010152624
],
[
-1.8602449107733194,
6.7127611463580905,
1.2940344589847377
],
[
1.8602449107733194,
8.942159411358091,
4.390375478984738
],
[
1.8602449107733199,
13.62673620364191,
5.069501421015263
],
[
0.17081895284490956,
5.237537920912182,
2.5369075862098853
],
[
0.17081895284490978,
12.872561164087816,
0.7302872737901148
],
[
-0.17081895284490978,
15.101959429087817,
3.826628293790115
],
[
-0.17081895284490956,
7.466936185912182,
5.633248606209885
],
[
-0.7768113352651325,
14.862579717707794,
6.139934101273296
],
[
-0.7768113352651324,
7.706315897292205,
3.319942798726705
],
[
0.7768113352651324,
5.476917632292205,
0.2236017787267052
],
[
0.7768113352651325,
12.633181452707793,
3.0435930812732948
]
] |
[{"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
] |
[
[
-0.03915546,
0,
0
],
[
0,
0.19041146,
-0.08846284
],
[
0,
-0.08846284,
-0.16428439
]
] | -146.984431 | -158.504431 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.003275,
-0.0074527,
-0.00459313
],
[
0.003275,
0.0074527,
0.00459313
],
[
-0.003275,
0.0074527,
0.00459313
],
[
-0.003275,
-0.0074527,
-0.00459313
],
[
-0.0006324,
-0.00456496,
0.0132705
],
[
-0.0006324,
0.00456496,
-0.0132705
],
[
0.0006324,
0.00456496,
-0.0132705
],
[
0.0006324,
-0.00456496,
0.0132705
],
[
-0.00407474,
0.00233728,
0.0053151
],
[
-0.00407474,
-0.00233728,
-0.0053151
],
[
0.00407474,
-0.00233728,
-0.0053151
],
[
0.00407474,
0.00233728,
0.0053151
],
[
-0.00739071,
0.00393159,
0.00077439
],
[
-0.00739071,
-0.00393159,
-0.00077439
],
[
0.00739071,
-0.00393159,
-0.00077439
],
[
0.00739071,
0.00393159,
0.00077439
],
[
0.00227932,
-0.00326878,
0.00007433
],
[
0.00227932,
0.00326878,
-0.00007433
],
[
-0.00227932,
0.00326878,
-0.00007433
],
[
-0.00227932,
-0.00326878,
0.00007433
]
] |
pbe
| true | 15 |
agm005266151-pbe-497
| 497 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27232959,
7.94009384,
0.08521824
],
[
-3.27232959,
7.94009384,
0.08521824
],
[
0,
4.45849113,
6.19254934
]
] |
agm005266151
|
[
[
1.636164795,
3.97004692,
0.04260912
],
[
-1.636164795,
6.199292485,
3.13888379
],
[
0.7647479737211301,
4.150163618356946,
2.7636421729424563
],
[
0.7647479737211302,
13.959269626643053,
0.5030689770575443
],
[
-0.7647479737211302,
16.188515191643052,
3.5993436470575446
],
[
-0.7647479737211301,
6.379409183356946,
5.8599168429424555
],
[
-2.492813887348863,
11.521181169195149,
4.169854771814752
],
[
-2.492813887348863,
11.046743205804852,
5.2894057181852485
],
[
2.492813887348863,
8.817497640804852,
2.193131048185248
],
[
2.492813887348863,
9.29193560419515,
1.073580101814752
],
[
-1.8603688495384008,
11.396927496661784,
1.9728450800171995
],
[
-1.8603688495384012,
6.712505748338217,
1.2938660699828006
],
[
1.8603688495384012,
8.941751313338218,
4.390140739982801
],
[
1.8603688495384008,
13.626173061661783,
5.069119750017199
],
[
0.17054265958689807,
5.237207829181994,
2.5366391381559277
],
[
0.17054265958689818,
12.872225415818006,
0.7300720118440722
],
[
-0.17054265958689818,
15.101470980818005,
3.8263466818440723
],
[
-0.17054265958689807,
7.466453394181993,
5.632913808155928
],
[
-0.7767496678953019,
14.862007740688327,
6.139524610673766
],
[
-0.7767496678953016,
7.705916634311674,
3.3197358793262337
],
[
0.7767496678953016,
5.476671069311673,
0.22346120932623378
],
[
0.7767496678953019,
12.632762175688327,
3.0432499406737663
]
] |
[{"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
] |
[
[
-0.02794191,
0,
0
],
[
0,
0.16371503,
-0.04752135
],
[
0,
-0.0475213,
-0.04260663
]
] | -146.98444 | -158.50444 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00124691,
-0.00178128,
-0.00196818
],
[
-0.00124691,
0.00178128,
0.00196818
],
[
0.00124691,
0.00178128,
0.00196818
],
[
0.00124691,
-0.00178128,
-0.00196818
],
[
-0.00048333,
0.00131871,
-0.00048939
],
[
-0.00048333,
-0.00131871,
0.00048939
],
[
0.00048333,
-0.00131871,
0.00048939
],
[
0.00048333,
0.00131871,
-0.00048939
],
[
-0.00188155,
0.00019667,
0.00425835
],
[
-0.00188155,
-0.00019667,
-0.00425835
],
[
0.00188155,
-0.00019667,
-0.00425835
],
[
0.00188155,
0.00019667,
0.00425835
],
[
-0.00468866,
-0.00083237,
0.00250242
],
[
-0.00468866,
0.00083237,
-0.00250242
],
[
0.00468866,
0.00083237,
-0.00250242
],
[
0.00468866,
-0.00083237,
0.00250242
],
[
0.0030599,
-0.00434941,
-0.00005656
],
[
0.0030599,
0.00434941,
0.00005656
],
[
-0.0030599,
0.00434941,
0.00005656
],
[
-0.0030599,
-0.00434941,
-0.00005656
]
] |
pbe
| true | 15 |
agm005266151-pbe-498
| 498 | 2 |
[
"C",
"Co",
"O"
] | 22 |
A6B4C
|
C4CoO6
|
Co2 C8 O12
| 3 |
[
1,
1,
1
] | 3 |
[
[
3.27238045,
7.93995096,
0.08510203
],
[
-3.27238045,
7.93995096,
0.08510203
],
[
0,
4.45832106,
6.19247544
]
] |
agm005266151
|
[
[
1.636190225,
3.96997548,
0.042551015
],
[
-1.636190225,
6.19913601,
3.138788735
],
[
0.7647281176834606,
4.149990072630223,
2.7635585381221395
],
[
0.7647281176834606,
13.959072377369777,
0.5028832418778605
],
[
-0.7647281176834606,
16.188232907369777,
3.5991209618778606
],
[
-0.7647281176834606,
6.379150602630222,
5.859796258122139
],
[
-2.4928732150425956,
11.520908472645992,
4.1697220505217505
],
[
-2.492873215042595,
11.046475037354007,
5.2891951694782495
],
[
2.492873215042595,
8.817314507354007,
2.192957449478249
],
[
2.4928732150425956,
9.291747942645992,
1.0734843305217507
],
[
-1.8604378836017212,
11.39669890684893,
1.9726694429320524
],
[
-1.860437883601721,
6.712363543151069,
1.2937723370679475
],
[
1.860437883601721,
8.941524073151069,
4.390010057067948
],
[
1.8604378836017212,
13.62585943684893,
5.068907162932053
],
[
0.17038879227974213,
5.237024018207526,
2.5364896665750787
],
[
0.17038879227974224,
12.872038431792474,
0.7299521134249212
],
[
-0.17038879227974224,
15.101198961792473,
3.826189833424921
],
[
-0.17038879227974213,
7.466184548207527,
5.632727386575079
],
[
-0.7767153054050733,
14.86168911883666,
6.139296608767205
],
[
-0.7767153054050733,
7.705694391163339,
3.3196206112327937
],
[
0.7767153054050733,
5.47653386116334,
0.2233828912327941
],
[
0.7767153054050733,
12.63252858883666,
3.043058888767206
]
] |
[{"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
] |
[
[
-0.04482581,
0,
0
],
[
0,
0.11806711,
-0.02773858
],
[
0,
-0.02773864,
0.00062721
]
] | -146.98444 | -158.50444 |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00390031,
0.00155069,
-0.00047802
],
[
-0.00390031,
-0.00155069,
0.00047802
],
[
0.00390031,
-0.00155069,
0.00047802
],
[
0.00390031,
0.00155069,
-0.00047802
],
[
-0.00068945,
0.00467409,
-0.00821797
],
[
-0.00068945,
-0.00467409,
0.00821797
],
[
0.00068945,
-0.00467409,
0.00821797
],
[
0.00068945,
0.00467409,
-0.00821797
],
[
-0.00107539,
-0.00122292,
0.00362238
],
[
-0.00107539,
0.00122292,
-0.00362238
],
[
0.00107539,
0.00122292,
-0.00362238
],
[
0.00107539,
-0.00122292,
0.00362238
],
[
-0.00338841,
-0.00391177,
0.00349004
],
[
-0.00338841,
0.00391177,
-0.00349004
],
[
0.00338841,
0.00391177,
-0.00349004
],
[
0.00338841,
-0.00391177,
0.00349004
],
[
0.0036197,
-0.00490043,
-0.00005047
],
[
0.0036197,
0.00490043,
0.00005047
],
[
-0.0036197,
0.00490043,
0.00005047
],
[
-0.0036197,
-0.00490043,
-0.00005047
]
] |
pbe
| true | 15 |
agm005266151-pbe-499
| 499 | 2 |