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2025-04-16T17:13:47
DS_1i4q8uyams32_0
1
VASP
SCAN
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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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2025-04-17T18:06:06
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.61644
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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2025-04-16T18:22:48
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1140738469593289922256739
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2025-04-16T15:45:01
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.363318
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1140507036441443639811928
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2025-04-16T15:45:48
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_5925803429447221745121653
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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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56
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PO_5961314615342584054313832
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2025-04-16T18:08:14
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 ]
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PO_1140921918993980281987894
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2025-04-16T15:44:54
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.654273
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_5967074103366802547836416
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2025-04-17T17:35:57
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.708598
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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 ]
[ "LMNTO-SCAN-train-data" ]
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PO_5968152910599779439442290
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2025-04-16T18:11:11
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.681509
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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_5951306997280934870124732
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2025-04-16T19:07:41
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.873102
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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", "LMNTO-SCAN-validation-data" ]
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data/MD/5202/MD_1086845055867124744315202.json
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null
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PO_5948533597587918906694922
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2025-04-16T18:14:38
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.0412
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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_1141344067225476085195703
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2025-04-16T15:42:51
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.600849
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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
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null
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PO_1143036192686890573584049
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2025-04-16T21:38:17
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.447919
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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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null
data/MD/5202/MD_1086845055867124744315202.json
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PO_1142485145841646256278679
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2025-04-16T16:09:21
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.442509
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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_5982211816628049123374974
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2025-04-16T21:52:07
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.632755
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1143931472062679014052148
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2025-04-16T17:03:14
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.839074
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1143400078740460387954058
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2025-04-16T21:51:00
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.738211
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1144198951922683187924050
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2025-04-16T18:44:03
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.692663
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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_5935306811466282834609167
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2025-04-16T16:48:35
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.982477
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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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data/MD/5202/MD_1086845055867124744315202.json
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PO_5943710597163971981591673
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2025-04-16T18:43:29
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.430631
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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", "LMNTO-SCAN-validation-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
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null
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PO_1146811364287642726390667
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2025-04-16T21:28:46
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.941956
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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
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null
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PO_1147690261750967834005810
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2025-04-16T18:49:16
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.587219
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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data/MD/5202/MD_1086845055867124744315202.json
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PO_6012282862275093165503072
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2025-04-16T18:52:09
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_6033806181434912691469415
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2025-04-16T18:08:07
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1147725661232407220409205
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2025-04-16T17:03:28
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.583029
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1153423373271805455359066
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2025-04-16T20:22:20
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.853913
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1153401107538255638359304
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2025-04-16T17:20:39
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_1151898818009501974158077
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2025-04-16T16:56:41
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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[ 1, 1, 1 ]
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null
data/MD/5202/MD_1086845055867124744315202.json
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null
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PO_6083707338741216599381995
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2025-04-16T18:49:39
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_6052075595781285599319898
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2025-04-16T17:26:47
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_6070139017957972364640579
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2025-04-16T21:57:13
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_6044422152144797030322063
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2025-04-16T18:05:35
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.458257
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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" ]
null
data/MD/5202/MD_1086845055867124744315202.json
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PO_6102149387704314725555125
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2025-04-16T21:29:37
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.866892
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_6104351781221220780086682
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2025-04-16T18:32:22
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.595143
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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_1157698363294815031115802
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2025-04-16T21:37:17
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.039193
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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
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PO_1156864488523180386499520
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2025-04-16T16:08:05
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.341501
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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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null
null
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PO_6105576686627985903079018
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2025-04-16T17:07:20
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.661294
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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_1157847541815683375253739
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2025-04-16T17:11:55
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1158011049699306464075828
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2025-04-16T16:55:24
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.60876
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1159909270574768469351411
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2025-04-16T21:38:17
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.676411
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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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null
data/MD/5202/MD_1086845055867124744315202.json
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PO_1159337936716016901336470
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2025-04-16T18:22:38
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.454248
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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" ]
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PO_6132275517862105612777765
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2025-04-16T16:08:59
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.468403
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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 ]
[ "LMNTO-SCAN-train-data" ]
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data/MD/5202/MD_1086845055867124744315202.json
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PO_6142412078012364972165616
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2025-04-16T16:30:02
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.639497
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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", "LMNTO-SCAN-validation-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
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null
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PO_6118501056409797736573359
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2025-04-17T18:06:06
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.260766
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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_6151100761089087913042217
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2025-04-16T16:03:49
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.9788
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CO_2310677374691614517482839
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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_1161284716998071754035936
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2025-04-16T15:44:08
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.295057
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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" ]
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1163108514715706493485488
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2025-04-16T17:14:08
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.316831
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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
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PO_6180517146027590629494372
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2025-04-16T20:04:51
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.38979
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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
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PO_1163855164987434623116203
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2025-04-17T17:56:16
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.772633
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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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PO_6185344392600371598465448
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2025-04-16T16:54:22
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.023753
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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
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null
null
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PO_1166514350295946012248291
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2025-04-16T19:57:36
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.305636
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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
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null
null
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PO_1165275285832827911855426
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2025-04-16T21:22:14
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.880177
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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_1165489578564188316433196
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2025-04-16T15:41:31
DS_1i4q8uyams32_0
1
VASP
SCAN
-631.017118
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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" ]
null
data/MD/5202/MD_1086845055867124744315202.json
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null
null
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PO_1165906834682826123579643
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2025-04-16T18:43:44
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.609204
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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_6205931131353463678228349
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2025-04-16T17:17:12
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.333924
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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56
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PO_1167014780641696083781790
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2025-04-16T21:51:46
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.748799
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[ true, true, true ]
Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_6218015121595642286822831
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2025-04-16T21:09:01
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.875685
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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_6240310498148775006368324
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2025-04-16T20:28:56
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.2937
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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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data/MD/5202/MD_1086845055867124744315202.json
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PO_6233721539552454616552062
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2025-04-16T20:32:45
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.476673
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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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null
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PO_6214354978487321063698757
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2025-04-16T16:10:12
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.562812
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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 ]
[ "LMNTO-SCAN-train-data" ]
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1170150672681561140328998
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2025-04-16T22:04:30
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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PO_1170931999768984953595256
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2025-04-16T16:47:26
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1172710819590594953302507
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2025-04-16T17:32:46
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1173178813673625240109521
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2025-04-16T21:30:02
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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data/MD/5202/MD_1086845055867124744315202.json
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PO_6260423213622144405360664
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2025-04-16T20:35:19
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.64234
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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_6270041529521365496870088
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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_6264129960520976980539336
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2025-04-16T18:06:12
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_6264642675805800423100583
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2025-04-16T18:26:51
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", "LMNTO-SCAN-validation-data" ]
null
data/MD/5202/MD_1086845055867124744315202.json
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null
null
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PO_6301156272977370640622966
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2025-04-16T21:57:13
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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PO_6312632283380606393109530
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2025-04-16T15:43:44
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.65103
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_6337194353363451047300115
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2025-04-16T16:08:56
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.103569
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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[ 1, 1, 1 ]
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PO_6325179850829206915867754
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2025-04-16T16:06:23
DS_1i4q8uyams32_0
1
VASP
SCAN
-629.881932
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_6323051239205823009751477
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2025-04-16T18:54:58
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.571322
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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[ 1, 1, 1 ]
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PO_1179829216537619370446151
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2025-04-16T17:32:32
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.955053
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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_1180563497055900649002570
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2025-04-16T17:26:14
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.061167
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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
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null
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PO_6335813751393370857693835
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2025-04-16T20:47:45
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
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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
null
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PO_1181281938193117406950950
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2025-04-16T21:23:51
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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PO_1181940174969161540892495
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2025-04-16T20:29:58
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1181903068840888165940864
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2025-04-16T15:41:55
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1182260388829219070039995
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2025-04-16T16:57:01
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1182865870097862193755858
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2025-04-16T18:29:46
DS_1i4q8uyams32_0
1
VASP
SCAN
-630.763413
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
[ "Li", "Mo", "Ni", "O", "Ti" ]
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PO_1182878102196595291536007
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2025-04-16T20:18:47
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_1183652923252765536803806
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2025-04-16T18:43:09
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_6390964879354174786754463
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2025-04-16T16:32:22
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 ]
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56
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1187450010492821312181916
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2025-04-16T21:52:07
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_1189697986698836706877081
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2025-04-16T16:00:45
DS_1i4q8uyams32_0
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SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_6426816689446502968928759
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2025-04-16T18:55:31
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_6418619701043150394220335
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2025-04-16T17:39:39
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1192817870928624905513419
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2025-04-16T15:44:05
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1193198816234025201414174
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2025-04-16T20:47:06
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_1191827351474064021480708
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2025-04-16T18:44:29
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_1192468373517601387132876
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2025-04-16T20:46:51
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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PO_6446982159706727345686450
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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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2025-04-16T16:28:54
DS_1i4q8uyams32_0
1
VASP
SCAN
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A32B8C7D7E2
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PO_1193569336932540378395531
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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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PO_1195848759196797630173550
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2025-04-16T20:32:46
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_6490363061476933356427180
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2025-04-16T18:45:49
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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PO_6501507918825603434638035
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2025-04-16T17:07:30
DS_1i4q8uyams32_0
1
VASP
SCAN
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Li8Mo2Ni7O32Ti7
Li8Mo2Ni7O32Ti7
A32B8C7D7E2
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