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DS_101uk70asqhq_0
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VASP
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Cu
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A
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4842785221957043570549906
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| 2025-04-16T17:58:31
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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Cu16
|
Cu
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A
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4842596625912351720310350
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| 2025-04-16T16:45:25
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_1176925481580107036016638
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Cu16
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DS_101uk70asqhq_0
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DS_101uk70asqhq_0
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Cu16
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PO_4850650654360539295891636
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| 2025-04-16T16:34:13
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DS_101uk70asqhq_0
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VASP
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Cu16
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Cu
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A
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PO_4849278579143870122443493
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| 2025-04-17T18:26:41
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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Cu
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A
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DS_101uk70asqhq_0
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CO_4960938781405065848960130
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Cu16
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Cu
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A
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PO_4847427862023346933426906
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| 2025-04-16T21:28:46
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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CO_1226571384386921286425414
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Cu16
|
Cu
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A
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4847083835935129131907075
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| 2025-04-16T21:13:01
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_6037476228701848139010886
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Cu32
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Cu
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A
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DS_101uk70asqhq_0
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VASP
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CO_6725958810728177126587099
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Cu16
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Cu
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A
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PO_4844328178069232609778640
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| 2025-04-16T15:43:58
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_1300832273749583380625703
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Cu32
|
Cu
|
A
|
[
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[
1
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4844261664233282948921379
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| 2025-04-16T17:52:43
|
DS_101uk70asqhq_0
| 1
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VASP
|
DFT-PBE
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CO_1199566514345140581445702
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Cu16
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Cu
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A
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[
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PO_4844001318918181227135512
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| 2025-04-16T17:10:24
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DS_101uk70asqhq_0
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VASP
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Cu16
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Cu
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A
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[
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[
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PO_4853378157091296052896980
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| 2025-04-16T17:29:32
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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[
true,
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true
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Cu12
|
Cu
|
A
|
[
"Cu"
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[
1
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[
29,
29,
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29,
29,
29,
29,
29,
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29,
29,
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] | 12
| 1
| 0
|
[
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0
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[
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PO_4851361870095308246715195
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| 2025-04-16T20:03:53
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -53.662506
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CO_2562821445580933337203008
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[
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Cu16
|
Cu
|
A
|
[
"Cu"
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[
1
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[
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29,
29,
29,
29,
29,
29,
29,
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29,
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29,
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] | 16
| 1
| 0
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4854212216560138715670427
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| 2025-04-16T16:08:40
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -52.835495
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[
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DS_101uk70asqhq_0
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Cu16
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Cu
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A
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PO_4856003287203797316146993
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| 2025-04-16T15:43:53
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DS_101uk70asqhq_0
| 1
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VASP
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Cu16
|
Cu
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A
|
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1
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PO_4859912417256164077948257
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| 2025-04-16T21:57:13
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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Cu16
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Cu
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A
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PO_4860932657648938205641887
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| 2025-04-16T21:14:40
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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Cu12
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Cu
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A
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1
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[
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[
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PO_4862027803745267414601958
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| 2025-04-16T16:26:45
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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Cu16
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Cu
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A
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4863469234893600651015739
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| 2025-04-16T18:07:18
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_3404805291157582871493366
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[
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Cu32
|
Cu
|
A
|
[
"Cu"
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[
1
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| 1
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4866744576688043752343939
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| 2025-04-16T21:43:16
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
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Cu16
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DS_101uk70asqhq_0
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VASP
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Cu16
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Cu
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PO_4867694522571085016080434
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| 2025-04-16T21:44:51
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DS_101uk70asqhq_0
| 1
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VASP
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Cu12
|
Cu
|
A
|
[
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1
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PO_4868098778263835912573625
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| 2025-04-17T18:26:41
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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DS_101uk70asqhq_0
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DS_101uk70asqhq_0
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Cu16
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A
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PO_4871519145320372705982394
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DS_101uk70asqhq_0
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VASP
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DS_101uk70asqhq_0
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DS_101uk70asqhq_0
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| 2025-04-16T17:26:14
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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Cu16
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| 2025-04-16T15:09:30
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DS_101uk70asqhq_0
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Cu16
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Cu
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A
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4879703866354636126993813
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| 2025-04-16T20:08:41
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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Cu32
|
Cu
|
A
|
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4880052524985744620688207
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| 2025-04-16T18:47:56
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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Cu16
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DS_101uk70asqhq_0
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VASP
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Cu12
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Cu
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A
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[
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PO_4884095448705043181220980
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| 2025-04-16T16:50:16
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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Cu16
|
Cu
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A
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[
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[
1
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[
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PO_4884986720047992830694923
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| 2025-04-16T20:24:25
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_1210384620160269223439080
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Cu32
|
Cu
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A
|
[
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[
1
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4885135899225335940282326
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| 2025-04-16T15:43:22
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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CO_1016822660193465048746112
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Cu16
|
Cu
|
A
|
[
"Cu"
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[
1
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[
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[
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PO_4885357899543432706381824
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| 2025-04-16T21:22:14
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
| -56.039207
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CO_1287234909920050870865539
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[
true,
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true
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Cu16
|
Cu
|
A
|
[
"Cu"
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[
1
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29,
29,
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] | 16
| 1
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|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4886733125317795650076230
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| 2025-04-16T16:26:41
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -42.13541
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CO_9811437483685200198619398
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[
true,
true,
true
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Cu12
|
Cu
|
A
|
[
"Cu"
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[
1
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[
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | 12
| 1
| 0
|
[
0,
0,
0
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[
"data.048_set.000_0"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4887127881327162043280458
|
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| 2025-04-16T16:29:45
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -102.663864
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Cu32
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Cu
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A
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[
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PO_4887371379384633176915344
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DS_101uk70asqhq_0
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VASP
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Cu12
|
Cu
|
A
|
[
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[
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[
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PO_4887974071716249397501748
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| 2025-04-16T16:57:14
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_1097511123104339249994153
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true,
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Cu16
|
Cu
|
A
|
[
"Cu"
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[
1
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4887858611555822961887250
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| 2025-04-16T21:29:37
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -59.362083
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[] | null | null | null | null | null | null | 0.34955
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CO_2436311305178232375471166
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[
true,
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Cu16
|
Cu
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A
|
[
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[
1
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|
[
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0
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4888051000331044744818039
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| 2025-04-16T18:06:12
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_6828508200705436528907174
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Cu16
|
Cu
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A
|
[
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1
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4888284940231541397173495
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| 2025-04-16T17:19:02
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_1040137356052120970830598
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[
true,
true,
true
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Cu12
|
Cu
|
A
|
[
"Cu"
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[
1
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[
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | 12
| 1
| 0
|
[
0,
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0
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4889744281086597658937008
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| 2025-04-16T20:36:03
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -53.688019
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CO_2676493030804734790342034
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[
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true
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Cu16
|
Cu
|
A
|
[
"Cu"
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[
1
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[
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29,
29,
29,
29,
29,
29,
29,
29,
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29,
29
] | 16
| 1
| 0
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4889068045507401530343427
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| 2025-04-16T15:44:13
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -52.047527
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[
2.0901002883911133,
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| null | null | null | null | null | 2.49625
| 1.236402
| null |
CO_8213419984446731104221855
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Cu16
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Cu
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A
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[
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PO_4889781396213962923203661
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| 2025-04-16T21:14:40
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DS_101uk70asqhq_0
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VASP
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Cu16
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PO_4869152474579480184118014
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| 2025-04-17T17:35:57
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DS_101uk70asqhq_0
| 1
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VASP
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Cu32
|
Cu
|
A
|
[
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[
1
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4882949050665380807737959
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| 2025-04-16T19:01:02
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_5736278711335621546562751
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Cu16
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Cu
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A
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PO_4882469525424907613378417
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| 2025-04-16T17:47:41
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DS_101uk70asqhq_0
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VASP
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Cu12
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Cu
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A
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[
1
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[
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PO_4875914127203585488683473
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| 2025-04-16T15:45:03
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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Cu16
|
Cu
|
A
|
[
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[
1
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[
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PO_4875599196532339700570363
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| 2025-04-16T19:57:50
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 0.225537
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CO_9357772556099356872790631
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Cu16
|
Cu
|
A
|
[
"Cu"
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[
1
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4878361673469831191789954
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| 2025-04-16T16:44:56
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
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Cu32
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Cu
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A
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PO_4878287257352401582214147
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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Cu12
|
Cu
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A
|
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1
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[
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PO_4878183516195029850676898
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| 2025-04-16T21:37:17
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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Cu16
|
Cu
|
A
|
[
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1
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[
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PO_4878275688883634732004073
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| 2025-04-16T18:56:50
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
| -55.90443
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CO_1017667962429947304134637
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DS_101uk70asqhq_0
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Cu16
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DS_101uk70asqhq_0
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Cu16
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A
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PO_4890814234915128219755077
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| 2025-04-16T21:44:51
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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Cu16
|
Cu
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A
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PO_4890479069947893565797326
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| 2025-04-16T18:35:01
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_2330394677199186332463534
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Cu16
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Cu
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A
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4893908566810531158476055
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| 2025-04-16T17:32:46
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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CO_9819087610342901711241442
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Cu12
|
Cu
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A
|
[
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[
1
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[
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[
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[
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PO_4891424793056936201595799
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| 2025-04-16T16:23:37
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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[
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true
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Cu16
|
Cu
|
A
|
[
"Cu"
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[
1
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[
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29,
29,
29,
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29,
29,
29,
29,
29,
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29,
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| 1
| 0
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[
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[
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PO_4891486350634456581611070
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| 2025-04-16T16:43:24
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -58.888996
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[] | null | null | null | null | null | null | 0.329754
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CO_1861424424927468474968183
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[
true,
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true
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Cu16
|
Cu
|
A
|
[
"Cu"
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[
1
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[
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29,
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29,
29,
29,
29,
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29,
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] | 16
| 1
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|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4894574673159832938587196
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| 2025-04-16T17:32:29
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -51.734428
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CO_8589993314830426098888442
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Cu16
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Cu
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A
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DS_101uk70asqhq_0
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VASP
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Cu16
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A
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PO_4897166444415026205742938
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| 2025-04-16T16:32:50
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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CO_1117171898553323504123513
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Cu32
|
Cu
|
A
|
[
"Cu"
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[
1
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4897726942502423479617073
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| 2025-04-16T18:20:07
|
DS_101uk70asqhq_0
| 1
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VASP
|
DFT-PBE
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DS_101uk70asqhq_0
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Cu16
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A
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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Cu32
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Cu
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A
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data/MD/5202/MD_1086845055867124744315202.json
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DS_101uk70asqhq_0
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VASP
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Cu32
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Cu
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A
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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CO_3330239447256605321185197
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Cu16
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Cu
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A
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PO_4903813695800959145535724
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| 2025-04-16T15:43:39
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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Cu16
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Cu
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A
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DS_101uk70asqhq_0
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Cu16
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| 2025-04-16T20:56:28
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DS_101uk70asqhq_0
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VASP
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Cu16
|
Cu
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A
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4911980370801015376290387
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| 2025-04-17T18:37:27
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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Cu32
|
Cu
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A
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29,
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29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | 32
| 1
| 0
|
[
0,
0,
0
] |
[
"data.000_set.000_119"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_4911664191705963301431740
|
4911664191705963301431740869231179344991552642541851483068187117247038555908535192065372069790146805507038732900611766801069881516230577173414942365675183
| 2025-04-16T16:25:12
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -37.839443
|
[
[
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[
0.08496399968862534,
2.344208002090454,
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[
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[
-1.054290533065796,
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11.979039192199707
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] | true
| null | null | null | null | null | 6.064344
| 1.974246
| null |
CO_1103867972596346335915246
|
11038679725963463359152467667507967451923289892877906037925195708660031636604118788805835205445536251225051752252445623259697659295416997855780028481185824
|
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|
[
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[
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0
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[
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[
[
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[
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[
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9.812569618225098
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[
0.9498500227928162,
4.255970001220703,
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] |
[
true,
true,
true
] |
Cu12
|
Cu
|
A
|
[
"Cu"
] |
[
1
] |
[
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | 12
| 1
| 0
|
[
0,
0,
0
] |
[
"data.051_set.000_18"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4911078031333671884155021
|
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| 2025-04-16T15:42:27
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -58.855831
|
[
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0.06231600046157837,
0.1381320059299469,
0.21187900006771088
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[
0.2860350012779236,
-0.24194300174713135,
0.10265100002288818
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] |
[] | null | null | null | null | null | null | 0.7134
| 0.384441
| null |
CO_1082779076090373525198570
|
10827790760903735251985708049859748612069180247874950396778388794326997941609106774852399604547248177437023696598245421776577424853921859584553869240374850
|
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|
[
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0,
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0.09993866086006165,
5.768856525421143,
0
],
[
0.044845860451459885,
0.07638922333717346,
5.865227222442627
]
] |
[
[
4.374780178070068,
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[
4.407279968261719,
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3.005160093307495,
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[
2.8615798950195312,
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2.9664199352264404
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5.842720031738281
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[
4.459819793701172,
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1.5214699506759644,
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2.8979198932647705,
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[
5.771749973297119,
0.08632999658584595,
2.9417500495910645
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] |
[
true,
true,
true
] |
Cu16
|
Cu
|
A
|
[
"Cu"
] |
[
1
] |
[
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | 16
| 1
| 0
|
[
0,
0,
0
] |
[
"deepmd_set.000_979"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
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