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PO_4082956475786231778003807
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2025-04-16T18:36:58
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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2025-04-16T15:45:59
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_4163048649070366939445779
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2025-04-16T20:15:40
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.569449
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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2025-04-16T20:53:37
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_4184240215408273966282411
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2025-04-16T21:35:56
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.459555
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_4203700118015601537325755
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2025-04-16T19:05:56
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_4232812091880672510240773
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2025-04-16T19:49:42
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_4234753927771892756542658
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2025-04-16T16:55:35
DS_1i4q8uyams32_0
1
VASP
SCAN
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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
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_4241682867511459303589801
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2025-04-16T18:26:37
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.08135
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
5
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[ 1, 1, 1 ]
[ "LMNTO-SCAN-train-data" ]
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data/MD/5202/MD_1086845055867124744315202.json
null
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PO_4279539803849730052003974
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2025-04-16T16:06:34
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.471918
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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
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PO_4276585086642612021430482
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2025-04-16T22:03:29
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.613348
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CO_1033002950510644526450837
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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
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PO_4245902389435464636207287
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2025-04-16T18:34:37
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.444721
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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_4240216982617829738548462
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2025-04-16T16:30:05
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.711461
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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_4288785652459149631660966
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2025-04-16T18:52:56
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.256347
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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
null
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PO_4323413780366182031145371
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2025-04-17T18:16:17
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.410447
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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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null
null
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PO_4323722735708329369107882
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2025-04-16T21:22:14
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.804516
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_4350598935476087008809649
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2025-04-16T20:52:01
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_4361493736587900488750476
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2025-04-16T17:49:42
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_4376777241355593916365551
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2025-04-16T17:45:49
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_4399842937120577171717654
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2025-04-16T15:44:34
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_4401780528216023938362844
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2025-04-16T18:26:42
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.401518
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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_4404452004518253327028409
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2025-04-16T21:44:51
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.323736
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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_4413722146444112625039446
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2025-04-16T15:18:29
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_4827160149712286819782404
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2025-04-16T17:54:52
DS_1i4q8uyams32_0
1
VASP
SCAN
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