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PO_1083568157819356458746659
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2025-04-16T18:22:24
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.338154
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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2025-04-16T20:04:51
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_5200461952579916145650475
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2025-04-16T20:04:36
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.510352
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_5201269685865868600047289
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2025-04-16T18:41:17
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_5251629840126049717145982
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2025-04-16T20:07:31
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.599655
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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2025-04-17T18:16:17
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1035104776927137490053771
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2025-04-16T17:54:59
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1088584770926481173682799
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2025-04-16T18:13:42
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1034493900562722433672858
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2025-04-16T15:43:19
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.20004
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1089933631903034057627411
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2025-04-16T15:09:30
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data", "LMNTO-SCAN-validation-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
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PO_1035472051114031641335978
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2025-04-16T21:37:17
DS_1i4q8uyams32_0
1
VASP
SCAN
-629.927284
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_5286285163474629324766440
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2025-04-16T17:59:53
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.123444
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
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PO_5263167457016975416402548
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2025-04-16T18:08:49
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.361881
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1091743098549794030673275
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2025-04-16T15:44:05
DS_1i4q8uyams32_0
1
VASP
SCAN
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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[ "LMNTO-SCAN-train-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
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PO_1090529309505082700352195
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2025-04-16T21:12:08
DS_1i4q8uyams32_0
1
VASP
SCAN
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
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56
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[ 1, 1, 1 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
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null
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PO_1091915146242390338601299
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2025-04-16T20:43:32
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1091401098668011380088626
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2025-04-16T17:52:43
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.109954
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1092070684739436832995561
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2025-04-16T16:31:58
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.882592
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data" ]
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data/MD/5202/MD_1086845055867124744315202.json
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PO_5321465041301322304735414
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2025-04-16T16:28:45
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.745693
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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[ 3, 3, 3, 3, 3, 3, 3, 3, 22, 22, 22, 22, 22, 22, 22, 28, 28, 28, 28, 28, 28, 28, 42, 42, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
56
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[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data", "LMNTO-SCAN-validation-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
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null
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PO_5325248385986573883755926
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2025-04-16T21:57:13
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.780066
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 22, 22, 22, 22, 22, 22, 22, 28, 28, 28, 28, 28, 28, 28, 42, 42, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
56
5
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[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data", "LMNTO-SCAN-validation-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
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PO_5344017609684482467186597
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2025-04-16T18:28:24
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.998053
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CO_9775498863627206887340445
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 22, 22, 22, 22, 22, 22, 22, 28, 28, 28, 28, 28, 28, 28, 42, 42, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
56
5
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[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5334711187851434610812963
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2025-04-16T16:10:10
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.566304
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67.026826
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CO_8845039733672570971967851
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 22, 22, 22, 22, 22, 22, 22, 28, 28, 28, 28, 28, 28, 28, 42, 42, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
56
5
3
[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5346300070717265180297871
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2025-04-16T19:57:19
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.384786
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76.553724
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CO_7257347884803444748071252
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 22, 22, 22, 22, 22, 22, 22, 28, 28, 28, 28, 28, 28, 28, 42, 42, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
56
5
3
[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data", "LMNTO-SCAN-validation-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1094113918859667808587014
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2025-04-16T17:32:26
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.742518
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1094278934666598039931310
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2025-04-16T17:24:18
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_5358156524216326136734753
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2025-04-16T17:47:41
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_5356001402042977121768468
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2025-04-16T17:26:50
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.140974
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1037626210964611724586186
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2025-04-16T18:26:36
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_5385139442730074189077923
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2025-04-16T21:21:56
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1039168869686889968102429
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2025-04-16T17:32:57
DS_1i4q8uyams32_0
1
VASP
SCAN
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
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56
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[ 1, 1, 1 ]
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data/MD/5202/MD_1086845055867124744315202.json
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null
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PO_1096465573358581312775331
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2025-04-16T18:41:35
DS_1i4q8uyams32_0
1
VASP
SCAN
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
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56
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
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PO_5400805520519314619448077
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2025-04-16T21:28:46
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1098544166548848476435091
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2025-04-16T18:08:39
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_5445320489248784967731906
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2025-04-16T17:08:59
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1040422371227634349808713
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2025-04-16T21:17:32
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.775645
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_5435763481232231944968471
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2025-04-16T18:52:56
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.910796
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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data/MD/5202/MD_1086845055867124744315202.json
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PO_5442225732886068534563833
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2025-04-17T18:26:41
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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null
data/MD/5202/MD_1086845055867124744315202.json
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PO_1041823087181936545209789
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2025-04-16T18:56:50
DS_1i4q8uyams32_0
1
VASP
SCAN
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
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56
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[ 1, 1, 1 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
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null
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PO_1100727495714135682926185
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2025-04-16T15:43:22
DS_1i4q8uyams32_0
1
VASP
SCAN
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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null
data/MD/5202/MD_1086845055867124744315202.json
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null
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PO_5472017892443171443434880
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2025-04-16T15:44:21
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1042726454585188206659707
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2025-04-16T21:27:46
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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2025-04-16T15:44:34
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_5518199888064834657401757
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2025-04-16T21:23:51
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1045416269292483124265616
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2025-04-16T16:54:17
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1047279366728726833330262
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2025-04-16T21:37:17
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1046239362646946229775419
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2025-04-16T16:09:21
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1103255592764672997867432
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2025-04-16T18:10:37
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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data/MD/5202/MD_1086845055867124744315202.json
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PO_5535430356257036339373380
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2025-04-16T16:46:17
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.878588
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data", "LMNTO-SCAN-validation-data" ]
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data/MD/5202/MD_1086845055867124744315202.json
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PO_5539895120708426303878773
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2025-04-16T20:34:36
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.333553
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data", "LMNTO-SCAN-validation-data" ]
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data/MD/5202/MD_1086845055867124744315202.json
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PO_5531230243656087873154883
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2025-04-16T18:14:58
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.761546
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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[ 1, 1, 1 ]
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PO_1047910930027525085425661
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2025-04-16T22:04:30
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.884123
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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[ "LMNTO-SCAN-train-data", "LMNTO-SCAN-validation-data" ]
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1048037101485821638885590
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2025-04-16T18:09:08
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.051328
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 22, 22, 22, 22, 22, 22, 22, 28, 28, 28, 28, 28, 28, 28, 42, 42, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
56
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[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data" ]
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data/MD/5202/MD_1086845055867124744315202.json
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PO_5574368710655949037912337
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2025-04-16T15:14:05
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.448426
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 22, 22, 22, 22, 22, 22, 22, 28, 28, 28, 28, 28, 28, 28, 42, 42, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
56
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[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data", "LMNTO-SCAN-validation-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
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null
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PO_5574048480919694728522896
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2025-04-16T15:23:14
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.001413
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
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56
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[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data" ]
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1049396350175293933852690
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2025-04-16T18:13:31
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.703805
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 22, 22, 22, 22, 22, 22, 22, 28, 28, 28, 28, 28, 28, 28, 42, 42, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
56
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[ 1, 1, 1 ]
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1105825792693562714636526
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2025-04-16T18:26:34
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1106482023428141783000328
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2025-04-16T17:10:53
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1106459862686761467810104
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2025-04-16T21:30:02
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.779052
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_5592642683394072289319540
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2025-04-16T15:41:55
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.598922
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_5606213686569431975643940
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2025-04-16T18:34:37
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_5611720514549570334089659
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2025-04-16T20:17:40
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_5614223890809801334324304
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2025-04-16T18:47:56
DS_1i4q8uyams32_0
1
VASP
SCAN
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1109124061621824983640963
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2025-04-16T18:57:59
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_5647671200382872440514293
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2025-04-16T20:51:28
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1109434675456492082527070
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2025-04-16T21:44:51
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.713385
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_5638074448142928226355513
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2025-04-16T17:24:18
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.635038
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1111359519493628823405480
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2025-04-16T17:18:32
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.505242
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_5654925558936587491988543
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2025-04-16T21:14:40
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.316015
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
5
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[ 1, 1, 1 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
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PO_1113454773877766100158305
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2025-04-16T17:18:55
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.940074
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1114233586524114305626570
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2025-04-16T20:51:28
DS_1i4q8uyams32_0
1
VASP
SCAN
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1116027346667143751496362
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2025-04-16T16:26:45
DS_1i4q8uyams32_0
1
VASP
SCAN
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1115939222662146338592848
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2025-04-16T16:46:19
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.649583
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1115297892644345624693740
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2025-04-16T17:21:42
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.255363
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1117294988419483672008081
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2025-04-16T16:08:05
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.392786
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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data/MD/5202/MD_1086845055867124744315202.json
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PO_5706182056105816498885645
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2025-04-16T15:42:56
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.564332
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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data/MD/5202/MD_1086845055867124744315202.json
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PO_5691837541963482877698053
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2025-04-16T18:47:53
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.631143
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1118536410434137751225097
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2025-04-16T15:43:59
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data", "LMNTO-SCAN-validation-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
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null
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PO_5742079929129921136583441
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2025-04-16T16:26:57
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.586106
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 22, 22, 22, 22, 22, 22, 22, 28, 28, 28, 28, 28, 28, 28, 42, 42, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
56
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[ 1, 1, 1 ]
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data/MD/5202/MD_1086845055867124744315202.json
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null
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PO_5745418469797654816701045
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2025-04-16T18:36:02
DS_1i4q8uyams32_0
1
VASP
SCAN
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1119096840490718934798004
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2025-04-16T16:08:23
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_5724034871835101870623579
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2025-04-16T18:21:24
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.786409
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_5734028762701162478909345
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2025-04-16T20:13:01
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.834214
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_5754006246072524623555898
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2025-04-16T17:42:42
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.425731
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1122794015792449431470830
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2025-04-16T16:33:06
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1121820968648918703746346
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2025-04-16T17:57:37
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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data/MD/5202/MD_1086845055867124744315202.json
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PO_5763356547190981607784338
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2025-04-16T21:29:37
DS_1i4q8uyams32_0
1
VASP
SCAN
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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null
data/MD/5202/MD_1086845055867124744315202.json
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PO_1125260990101399173135302
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2025-04-16T20:22:27
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_5784466713867223024238772
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2025-04-16T21:13:40
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1126603685997991999797756
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2025-04-16T21:09:01
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_5794809138550243471856484
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2025-04-16T15:44:43
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_5800107988901106766224673
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2025-04-16T15:43:19
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1127952335616216256477884
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2025-04-16T17:20:25
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_5840989324439230977324479
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2025-04-16T15:45:08
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1130993695729566128607196
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2025-04-16T15:40:09
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1132369644903410656675136
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2025-04-16T20:39:54
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1132741062230315989794421
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2025-04-16T17:45:47
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.300924
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_5857653789847450753327157
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2025-04-16T18:35:23
DS_1i4q8uyams32_0
1
VASP
SCAN
-629.755446
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
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56
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PO_1134231270250250320856219
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2025-04-16T21:43:16
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.436836
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
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56
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[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
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PO_5883472035698153282125944
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2025-04-16T21:51:00
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.118005
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[]
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 22, 22, 22, 22, 22, 22, 22, 28, 28, 28, 28, 28, 28, 28, 42, 42, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
56
5
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[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_1134840868860838952319053
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2025-04-16T21:21:56
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.308252
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
[ 0.14285714285714285, 0.03571428571428571, 0.125, 0.5714285714285714, 0.125 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 22, 22, 22, 22, 22, 22, 22, 28, 28, 28, 28, 28, 28, 28, 42, 42, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
56
5
3
[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
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