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| 2025-04-16T17:26:47
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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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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4982296424571820129224711
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| 2025-04-16T15:18:29
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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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data/MD/5202/MD_1086845055867124744315202.json
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PO_4982668905459199181910810
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| 2025-04-17T18:37:27
|
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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1
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[
"data.000_set.000_191"
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4987495741372827853686095
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| 2025-04-16T18:27:25
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_6663570569274847412896964
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true,
true,
true
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Cu12
|
Cu
|
A
|
[
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[
1
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[
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| 1
| 0
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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_4986227814545293494869726
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| 2025-04-16T21:12:08
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_3839229804074591049065634
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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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| 1
| 0
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4991499620986823773568413
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| 2025-04-16T20:41:30
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -37.797569
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| null | null | null | null | null | 2.801466
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CO_7465137508337493207608952
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[
true,
true,
true
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Cu12
|
Cu
|
A
|
[
"Cu"
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[
1
] |
[
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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[
"data.026_set.000_51"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4991273883702336669528848
|
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| 2025-04-16T18:29:46
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -59.228966
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DS_101uk70asqhq_0
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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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1
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4976694714946792100353894
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DS_101uk70asqhq_0
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VASP
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CO_6069477863654795241208075
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Cu16
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Cu
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A
|
[
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[
1
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[
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PO_4983660798363422673669503
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| 2025-04-16T16:01:25
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_2768992037117066696632294
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[
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true
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Cu16
|
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_4973069650160460122997193
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| 2025-04-16T18:27:25
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -38.951801
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CO_7516348525974322010855473
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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
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| 1
| 0
|
[
0,
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0
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[
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] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4974219643921115289931397
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| 2025-04-16T21:29:37
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -59.255596
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[] | null | null | null | null | null | null | 0.707428
| 0.414279
| null |
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DS_101uk70asqhq_0
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Cu32
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Cu
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DS_101uk70asqhq_0
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| 2025-04-16T18:10:42
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DS_101uk70asqhq_0
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VASP
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| 2025-04-16T18:32:26
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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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| 2025-04-16T16:05:18
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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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PO_4992376885153956583210821
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| 2025-04-16T18:03:25
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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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[
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DS_101uk70asqhq_0
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VASP
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Cu16
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PO_4992837211046066057790589
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| 2025-04-16T17:34:29
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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_4992626438315109619597800
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| 2025-04-16T20:53:37
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_5807383238380777391046620
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[
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Cu32
|
Cu
|
A
|
[
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[
1
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[
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PO_4992194246795145164162223
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| 2025-04-16T20:48:22
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -58.892803
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[] | null | null | null | null | null | null | 0.38629
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CO_3853911199817123557765973
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[
true,
true,
true
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Cu16
|
Cu
|
A
|
[
"Cu"
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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_4434416957192602830293253
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| 2025-04-16T16:08:23
|
DS_101uk70asqhq_0
| 1
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VASP
|
DFT-PBE
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[] | null | null | null | null | null | null | 0.201614
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CO_9128634877970615245485189
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[
true,
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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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29,
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29,
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4999522491735135350957597
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| 2025-04-16T21:51:46
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -38.008415
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CO_2382456046847086896886150
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Cu12
|
Cu
|
A
|
[
"Cu"
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[
1
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[
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29,
29,
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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_4999093594868595856543241
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| 2025-04-17T18:48:22
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -102.749435
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| null | null | null | null | null | 5.030614
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CO_2907638566929248148165954
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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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Cu16
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Cu
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A
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PO_4999320568245232120658965
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| 2025-04-16T19:02:16
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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_4999402119768638743889939
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_1199074609777686758217573
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Cu16
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Cu
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A
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PO_4433038319825577087244195
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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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PO_4433814804656748392615552
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| 2025-04-16T18:25:21
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_1500459120130618635021923
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[
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Cu16
|
Cu
|
A
|
[
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[
1
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29,
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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_4433829081416388411778946
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| 2025-04-16T20:03:53
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -41.735142
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| null | null | null | null | null | 0.943618
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CO_9962834062400532177571501
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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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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4438682169616743253696251
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| 2025-04-16T21:57:13
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -103.415291
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A
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DS_101uk70asqhq_0
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Cu16
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PO_4439758549331069296448478
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DS_101uk70asqhq_0
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VASP
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[
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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_4435378521381714284143614
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| 2025-04-16T22:04:30
|
DS_101uk70asqhq_0
| 1
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VASP
|
DFT-PBE
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CO_1082454232112369838343943
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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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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4436163897482029662663558
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| 2025-04-16T16:30:10
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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| null | null | null | null | null | 8.240184
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CO_1321955406882133335347112
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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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29,
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| 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_4436285102831468048954867
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| 2025-04-16T20:26:39
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -40.163822
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| null | null | null | null | null | 3.452957
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CO_6523249225577776408080132
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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
| null | null | null |
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PO_4436100551930634206861281
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| 2025-04-16T17:52:43
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -57.58427
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| null | null | null | null | null | 2.050526
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CO_9470746089708381526013258
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Cu16
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A
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DS_101uk70asqhq_0
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Cu32
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Cu
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A
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| 2025-04-16T16:26:20
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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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[
1
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PO_1009796428020946750309832
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| 2025-04-16T20:14:53
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -56.03508
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Cu16
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Cu
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A
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[
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PO_1010131488885882126572303
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| 2025-04-16T17:42:15
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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true
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Cu12
|
Cu
|
A
|
[
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[
1
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29
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[
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[
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PO_1010164298987164661222777
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| 2025-04-16T18:09:14
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_7976681119819368076380008
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[
true,
true,
true
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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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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1010044417761061373620566
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| 2025-04-16T15:43:58
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -21.936708
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| null | null | null | null | null | 0.572568
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CO_1858892335463196635670236
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[
true,
true,
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,
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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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] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1010078469341377968646200
|
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| 2025-04-16T16:20:59
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -75.045799
|
[
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Cu32
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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_1010014855322145688177863
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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CO_1520809569402005256501564
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Cu12
|
Cu
|
A
|
[
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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_1010271027942144036365004
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| 2025-04-16T17:56:28
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_8352234092193724002845835
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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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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1010444770983274856377269
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| 2025-04-16T17:42:29
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
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Cu16
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Cu
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DS_101uk70asqhq_0
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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_1010577016124776425055646
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| 2025-04-16T20:03:29
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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
|
[
"Cu"
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[
1
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[
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PO_1010786821238709662009645
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| 2025-04-16T20:26:39
|
DS_101uk70asqhq_0
| 1
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VASP
|
DFT-PBE
| -59.214882
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[] | null | null | null | null | null | null | 0.501195
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CO_9417829004660451108190265
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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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| 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_1010648781888469975929557
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| 2025-04-16T16:09:52
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -91.287956
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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_1010821141995384781932625
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| 2025-04-16T21:43:25
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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CO_1329295115722640590743177
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Cu16
|
Cu
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A
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PO_1010918073223713254114587
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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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DS_101uk70asqhq_0
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VASP
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Cu32
|
Cu
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A
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PO_1011368988297832824764773
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_8235975479792065545480167
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Cu16
|
Cu
|
A
|
[
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[
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PO_1011458702151396781633889
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| 2025-04-16T17:59:02
|
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 | 0.717379
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CO_1317008370236773008073589
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DS_101uk70asqhq_0
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DS_101uk70asqhq_0
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1011547440618812248202546
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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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| 2025-04-16T21:37:17
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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CO_8942335880122384064943231
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Cu16
|
Cu
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A
|
[
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PO_1011626763915447602738462
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| 2025-04-16T16:26:36
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_8148628568497302115570501
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[
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Cu16
|
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_1011769375515919938805129
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| 2025-04-16T21:43:25
|
DS_101uk70asqhq_0
| 1
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VASP
|
DFT-PBE
| -58.642311
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Cu16
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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_1011757636305353083103592
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| 2025-04-16T15:42:57
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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true
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Cu12
|
Cu
|
A
|
[
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[
1
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[
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29,
29,
29,
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29,
29,
29
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| 0
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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_1011719256297222451970433
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| 2025-04-16T17:39:46
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_6529268945303617776216139
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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,
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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_1012238449972396508592667
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| 2025-04-16T18:44:52
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -41.957134
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CO_2636235315871153312738655
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[
true,
true,
true
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Cu12
|
Cu
|
A
|
[
"Cu"
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[
1
] |
[
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | 12
| 1
| 0
|
[
0,
0,
0
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[
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] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1012266616118627134663126
|
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| 2025-04-16T20:08:38
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -118.934311
|
[
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DS_101uk70asqhq_0
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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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Cu16
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PO_4460602883500545110396352
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DS_101uk70asqhq_0
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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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PO_4461398473208844103532695
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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DS_101uk70asqhq_0
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Cu16
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| 2025-04-16T20:33:21
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DS_101uk70asqhq_0
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Cu32
|
Cu
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A
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| 2025-04-16T17:42:15
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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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Cu16
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DS_101uk70asqhq_0
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Cu32
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Cu
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A
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| 2025-04-16T21:28:46
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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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PO_4445775101689908984735810
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| 2025-04-16T21:13:01
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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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1
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4444318781448196070016365
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| 2025-04-16T16:03:49
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DS_101uk70asqhq_0
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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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data/MD/5202/MD_1086845055867124744315202.json
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PO_4444367026409619787402880
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| 2025-04-16T20:16:40
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_1262709668701196821587434
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[
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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_4444616006887585392459799
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| 2025-04-16T16:21:06
|
DS_101uk70asqhq_0
| 1
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VASP
|
DFT-PBE
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CO_1100824630008082797833507
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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_4444003614607731310239085
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| 2025-04-16T17:18:25
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_4643470840568592112530973
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Cu12
|
Cu
|
A
|
[
"Cu"
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[
1
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[
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[
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_4444166343850302914845918
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| 2025-04-17T18:26:41
|
DS_101uk70asqhq_0
| 1
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VASP
|
DFT-PBE
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| null | null | null | null | null | 0.193292
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CO_5062516170253794252418251
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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,
29,
29,
29,
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29,
29,
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| 1
| 0
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4447717459742635560125348
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| 2025-04-16T18:45:49
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -59.401337
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[] | null | null | null | null | null | null | 0.085392
| 0.048407
| null |
CO_1174319145194572355097257
|
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[
true,
true,
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,
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29,
29,
29,
29,
29,
29,
29,
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] | 16
| 1
| 0
|
[
0,
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0
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[
"deepmd_set.000_620"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4447121208804764755272185
|
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| 2025-04-16T18:57:04
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -118.8209
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DS_101uk70asqhq_0
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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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DFT-PBE
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Cu16
|
Cu
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A
|
[
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1
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[
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PO_4454888391073117106629865
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| 2025-04-17T18:37:27
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DS_101uk70asqhq_0
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VASP
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CO_1483580354223018735624843
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Cu16
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Cu
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A
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1
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[
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PO_4453089604670103899708355
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| 2025-04-16T15:43:44
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_1038877690242278939967813
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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
| null | null | null |
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PO_4453738616816851283333271
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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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CO_5879606881656659081501154
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Cu32
|
Cu
|
A
|
[
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1
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DS_101uk70asqhq_0
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DS_101uk70asqhq_0
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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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