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2025-04-16T21:37:22
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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2025-04-16T17:24:18
DS_1i4q8uyams32_0
1
VASP
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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2025-04-16T21:12:08
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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2025-04-16T20:39:54
DS_1i4q8uyams32_0
1
VASP
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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2025-04-16T21:22:14
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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2025-04-16T20:51:28
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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2025-04-16T18:21:24
DS_1i4q8uyams32_0
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VASP
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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2025-04-16T18:55:10
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1006331617816653436903936
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2025-04-16T21:04:14
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1007187497443097485625380
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2025-04-16T17:55:11
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_4988625268480976381961250
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2025-04-17T18:16:17
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.629349
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_4995689288219131287762490
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2025-04-16T21:17:22
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_4994911074783044643650519
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2025-04-16T21:30:02
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.691359
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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_4433499439420412830685694
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2025-04-16T21:22:14
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
null
null
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PO_4438132698623878978273900
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2025-04-16T18:33:37
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
null
null
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PO_4976903312954858930654373
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2025-04-16T20:11:35
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_4976989981335675158556081
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2025-04-16T21:21:56
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.938532
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_4976487321153930096884100
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2025-04-16T16:20:54
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.414193
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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_4445017749584891816787221
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2025-04-16T15:18:28
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.760007
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1011823189182433155397635
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2025-04-16T16:29:32
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.932992
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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_1012613655878525677051479
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2025-04-17T17:45:49
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.589824
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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_1011077550414433082160749
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2025-04-16T21:44:51
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.449012
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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", "LMNTO-SCAN-validation-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_4461515049153261700508160
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2025-04-16T21:56:50
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.313268
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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_4458805669958366281446597
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2025-04-16T20:21:52
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.480021
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_4455809556139257775550779
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2025-04-16T16:20:57
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_4498422509612549249274205
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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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PO_1013347447317185442377170
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2025-04-16T17:14:02
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_1013695396881920925201797
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2025-04-16T16:00:44
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.307857
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1014736945655803720349839
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2025-04-16T22:04:30
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.732255
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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_1014749209559986307434134
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2025-04-16T18:55:36
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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null
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PO_4529122470285677381257261
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2025-04-16T16:06:55
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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null
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PO_1015372141793956079605163
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2025-04-16T18:54:22
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1053121020830401601133921
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2025-04-16T18:26:36
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.007807
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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[ "LMNTO-SCAN-train-data" ]
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PO_1052739833606734207730896
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2025-04-16T20:43:32
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.441911
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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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[ "LMNTO-SCAN-train-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
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PO_1015026273060747910066955
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2025-04-16T15:18:29
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.427457
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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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null
data/MD/5202/MD_1086845055867124744315202.json
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PO_4548083981271481583059177
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2025-04-17T18:37:27
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.975423
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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_1055232182133444022589885
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2025-04-16T15:44:13
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.648569
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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 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_4593687568856098163663493
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2025-04-16T18:14:38
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.775691
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70.665998
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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
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PO_4591134389864762353757618
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2025-04-16T16:46:28
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.673288
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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
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_4623306216464240865652719
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2025-04-16T21:28:46
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.534685
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1058905849749377854444562
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2025-04-16T17:56:28
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1019563451476599938226089
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2025-04-16T16:28:27
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.990316
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_4657451798776622535198732
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2025-04-16T17:07:30
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.403258
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1060305931606346143557416
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2025-04-16T19:57:28
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.453236
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1060244576109594484604490
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2025-04-16T15:43:58
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_4672799888030056245889675
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2025-04-16T21:09:01
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_1061551744011820641675496
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2025-04-16T18:27:25
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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data/MD/5202/MD_1086845055867124744315202.json
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PO_4666397759314445785314587
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2025-04-16T17:19:09
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.982281
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_4677247870033199926749378
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2025-04-16T16:09:56
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.982265
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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_4677823597958733071919681
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2025-04-16T15:44:54
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.403093
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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_4680372924073562866862483
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2025-04-16T16:28:13
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.733379
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1063776391610676723274877
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2025-04-16T15:45:10
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.35286
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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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data/MD/5202/MD_1086845055867124744315202.json
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PO_1063237822805115849297484
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2025-04-16T17:03:28
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.717825
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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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[ "LMNTO-SCAN-train-data" ]
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1021466675844444094931399
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2025-04-16T17:10:46
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.020128
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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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null
data/MD/5202/MD_1086845055867124744315202.json
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PO_4715105786466723022680784
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2025-04-16T21:38:17
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.456355
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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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PO_4703930262698085619838922
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2025-04-16T15:42:55
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_4706615517871342132944769
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2025-04-16T19:57:36
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1064171092333701423140208
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2025-04-16T15:44:22
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_4728706154567017757726249
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2025-04-16T20:26:41
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_4736960794860275769861313
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2025-04-16T15:14:03
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_4760465116573619143306623
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2025-04-16T21:12:44
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_4733098886183850313592395
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2025-04-16T17:10:46
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_1066343271135753584475565
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2025-04-16T21:12:08
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1067522095896554118272506
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2025-04-16T18:33:20
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.815401
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_4781717709942387617818073
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2025-04-16T20:04:53
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1066484978096863340290459
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2025-04-16T18:55:55
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.014815
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1069962669610162178528875
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2025-04-16T20:25:58
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.445006
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_4499477683680234175529542
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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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56
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PO_1025331259294233586781341
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2025-04-16T21:51:00
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_1070946558258546977093634
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2025-04-16T16:45:25
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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null
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PO_1070826800332971996866455
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2025-04-16T17:47:45
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_5021168505776432585810897
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2025-04-16T21:17:22
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_1025891395265976040879434
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2025-04-16T17:42:15
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.399259
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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_1072551543463699046188483
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2025-04-16T21:27:46
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.386982
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CO_1325816339791697668031397
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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_5034762984651696027674281
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2025-04-16T21:37:17
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.088967
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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_1027847436034822011196096
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2025-04-16T19:56:37
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.537265
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CO_2364413042275395553340546
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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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null
data/MD/5202/MD_1086845055867124744315202.json
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PO_1074563888159728289662258
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2025-04-17T18:48:22
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 ]
[ 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_1075578899107234481582532
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2025-04-16T16:07:11
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.007257
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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" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
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PO_5100951497266802407740877
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2025-04-16T20:33:21
DS_1i4q8uyams32_0
1
VASP
SCAN
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77.164622
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CO_2388522003806965754102231
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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_1075410174001367768663527
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2025-04-16T21:29:37
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.120794
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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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data/MD/5202/MD_1086845055867124744315202.json
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PO_5062382820842054451358738
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2025-04-16T20:46:51
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.161875
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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_5070121464401024539807367
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2025-04-16T17:10:46
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.689719
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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
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PO_1078082296511050075704908
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2025-04-16T16:33:01
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.704477
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[]
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CO_4997912879737190428174923
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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_1077903910780823862381410
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2025-04-16T19:02:23
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.290526
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[]
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CO_3189385270702162875523521
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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
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PO_1078913994430920719239047
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2025-04-16T18:46:02
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.757608
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CO_3304249566465349412919227
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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
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PO_5105228366499296556815143
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2025-04-16T21:27:46
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.73462
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[]
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65.076781
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CO_1278272146165067775845826
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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
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PO_5130483794245082211320622
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2025-04-16T15:41:29
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.229719
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78.536411
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1030519599607665402767026
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2025-04-16T21:38:17
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.798754
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1030599918591473342416464
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2025-04-16T18:47:30
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.077156
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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", "LMNTO-SCAN-validation-data" ]
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1079615681302337273861888
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2025-04-16T21:37:22
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.683073
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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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data/MD/5202/MD_1086845055867124744315202.json
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PO_5155756055618940757188903
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2025-04-17T18:48:22
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.055878
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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
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PO_5166845632302724716866415
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2025-04-16T17:55:11
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.108973
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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
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PO_1082285641998841957181981
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2025-04-16T18:11:19
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.397716
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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
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PO_1081559860735524328942999
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2025-04-16T18:44:30
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.795237
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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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3
[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data", "LMNTO-SCAN-validation-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5172894830204397904781047
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2025-04-16T16:10:41
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.798858
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1083682274570411950875292
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2025-04-16T16:09:51
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.734803
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_5190247720981631912972099
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2025-04-16T17:31:22
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.991358
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_5186514304896129554779113
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2025-04-16T22:04:30
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.344476
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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_1033130871913652679453630
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2025-04-16T18:41:56
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.8869
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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
5
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[ 1, 1, 1 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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PO_5208478679481467651267771
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2025-04-16T16:29:01
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.116907
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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
5
3
[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data", "LMNTO-SCAN-validation-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
null
null
null
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