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| 2025-04-16T21:27:46
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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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PO_1004903544796232337109424
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| 2025-04-16T16:29:31
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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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PO_1004924565145099620795812
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| 2025-04-16T16:56:11
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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Cu16
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T17:21:01
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DS_101uk70asqhq_0
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VASP
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Cu16
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| 2025-04-16T15:44:05
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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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data/MD/5202/MD_1086845055867124744315202.json
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PO_1005275034916802852200017
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| 2025-04-16T21:37:17
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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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PO_1005258990344372643943453
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| 2025-04-16T18:29:46
|
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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1
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1005232855663138742895364
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| 2025-04-16T18:41:35
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DS_101uk70asqhq_0
| 1
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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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[
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PO_1005277780968462082915445
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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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[
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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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| 1
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1005263579511004927489271
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1005263579511004927489271375918567311820499005959503872808078248420164688543835340148883698570987208330580606415162199024794334244172053071837008272001064
| 2025-04-16T18:34:37
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
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[] | null | null | null | null | null | null | 0.385122
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CO_8732435964717707364092339
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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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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1005431461546155990868843
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| 2025-04-16T15:43:52
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -53.883339
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| null | null | null | null | null | 1.058396
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CO_8222842295054448128747338
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DS_101uk70asqhq_0
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Cu16
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PO_1005790872595446515745869
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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_1005519394743939536015060
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| 2025-04-17T18:06:06
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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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data/MD/5202/MD_1086845055867124744315202.json
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PO_1005691026726898118364814
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| 2025-04-16T15:45:08
|
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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Cu32
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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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Cu16
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A
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PO_4944628051956012815373508
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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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DFT-PBE
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DS_101uk70asqhq_0
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Cu16
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PO_4942551178650947779907924
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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_4942237344673252644667765
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| 2025-04-16T16:56:41
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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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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4943924619804450309427198
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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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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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CO_1171334822037881418253602
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Cu16
|
Cu
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A
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PO_4946751572759792292147133
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DS_101uk70asqhq_0
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VASP
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CO_8006019466733885062984119
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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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Cu32
|
Cu
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A
|
[
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[
1
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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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PO_4948416789990427871500863
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| 2025-04-16T17:18:18
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_9731112132687793260041527
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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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data/MD/5202/MD_1086845055867124744315202.json
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PO_4950949539635142042168462
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| 2025-04-16T17:56:02
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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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1
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[
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PO_4952502461617765054072708
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| 2025-04-16T17:16:57
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_1271842285284418912557998
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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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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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data/MD/5202/MD_1086845055867124744315202.json
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PO_4964278409798088669891860
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| 2025-04-16T21:43:25
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -42.278522
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CO_5466765495065418454198416
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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,
29,
29,
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_4964865005667793970305532
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| 2025-04-16T20:14:25
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -114.316246
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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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| 2025-04-16T18:03:12
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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_4964952103243202843487415
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| 2025-04-16T19:03:49
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_7763762255457487908636206
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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_4966849087156217508910523
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| 2025-04-16T16:09:52
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -14.398923
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CO_2097890544923586284766781
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Cu16
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A
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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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PO_4967205661222860160273274
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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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PO_4961224771222845901029556
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| 2025-04-16T18:28:12
|
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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data/MD/5202/MD_1086845055867124744315202.json
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PO_4970416170464577877393390
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| 2025-04-16T16:29:57
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_7765539460201442046045736
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Cu12
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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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PO_4970047140239873724067605
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| 2025-04-16T21:37:22
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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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PO_4972798859677567087871573
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| 2025-04-16T17:20:25
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DS_101uk70asqhq_0
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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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Cu32
|
Cu
|
A
|
[
"Cu"
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[
1
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| 0
|
[
0,
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0
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[
"deepmd_set.000_496"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4962785853462078820047325
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| 2025-04-16T18:07:29
|
DS_101uk70asqhq_0
| 1
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VASP
|
DFT-PBE
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CO_1130969930411303757796031
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[
true,
true,
true
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Cu16
|
Cu
|
A
|
[
"Cu"
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[
1
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29,
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29,
29,
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[
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_4962915592156949751784230
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| 2025-04-16T21:13:01
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -42.739437
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CO_9780528656835606630681781
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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_98"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4957707622894261943525137
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| 2025-04-16T15:23:03
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -54.754715
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| null | null | null | null | null | 0.766733
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CO_5049936016431379672880673
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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,
29,
29,
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29,
29,
29,
29,
29,
29,
29,
29,
29
] | 16
| 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_4957735426310211533034873
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| 2025-04-16T16:20:59
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -58.845905
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| null | null | null | null | null | 0.537388
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CO_6247655045632959012108756
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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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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4958858339201661450862390
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| 2025-04-16T16:55:27
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_8250610817920674455682321
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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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[
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PO_4958837233748961763629260
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| 2025-04-16T16:55:51
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_7275508310459615300735332
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[
true,
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Cu16
|
Cu
|
A
|
[
"Cu"
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[
1
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29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | 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_4963871277262192186997753
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| 2025-04-16T18:04:13
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -41.31897
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CO_5784969093796852301194745
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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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] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4968601222935689753827183
|
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| 2025-04-16T21:52:07
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -56.34515
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CO_3329555781911369527004773
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DS_101uk70asqhq_0
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Cu16
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PO_4965936360397725421744934
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| 2025-04-16T18:01:36
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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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1
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PO_1007344625532222808814931
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| 2025-04-16T16:20:57
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_1009514164448347322442727
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Cu16
|
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_1007753343416686279495699
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| 2025-04-16T21:09:02
|
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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Cu32
|
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_1008023801006218278620839
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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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[
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PO_1008058457747877043441534
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| 2025-04-16T20:53:47
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_9280624861630396649872527
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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_1007965892010074304831597
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| 2025-04-16T16:29:31
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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CO_8450083587239533289543039
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Cu12
|
Cu
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A
|
[
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[
1
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29
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| 0
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[
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0
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[
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PO_1008177994871514228112014
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| 2025-04-16T18:30:46
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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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29,
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1006605872124704014896665
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| 2025-04-16T18:46:47
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -58.41333
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| null | null | null | null | null | 0.758395
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CO_7742055820060600692951879
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[
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Cu16
|
Cu
|
A
|
[
"Cu"
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[
1
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29,
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] | 16
| 1
| 0
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1006713415092076668743559
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| 2025-04-16T21:57:13
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -110.107544
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Cu32
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Cu
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A
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PO_1007006006788153329943664
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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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data/MD/5202/MD_1086845055867124744315202.json
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PO_1007053734465070799774565
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| 2025-04-16T21:13:40
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_3563362957212036532319215
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true,
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Cu12
|
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
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PO_1007085410732739289235896
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| 2025-04-16T16:09:54
|
DS_101uk70asqhq_0
| 1
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VASP
|
DFT-PBE
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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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| 2025-04-16T20:42:26
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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CO_9747963184661644789852460
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Cu16
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Cu
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A
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PO_1007051676718319188867956
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| 2025-04-16T18:08:07
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DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_5074216928111746082416903
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Cu16
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Cu
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A
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[
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[
1
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1007156902678220148413740
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| 2025-04-16T18:33:21
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_6117893680909788671000764
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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_1007168582097153414044104
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| 2025-04-16T16:55:27
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_9707473719521825709898074
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[
true,
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Cu32
|
Cu
|
A
|
[
"Cu"
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[
1
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[
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29,
29,
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29,
29,
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29,
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] | 32
| 1
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|
[
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[
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] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1007146466968040179777752
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10071464669680401797777522406024121720120277937096184947556697200326746097797471005050699833634000728488450892115339686634655227604896939436156658139219016
| 2025-04-16T16:28:27
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -51.712383
|
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DS_101uk70asqhq_0
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Cu32
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DS_101uk70asqhq_0
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VASP
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Cu32
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DS_101uk70asqhq_0
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PO_1007281351099684152232897
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| 2025-04-16T18:43:26
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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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PO_1007449661288000044234348
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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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DS_101uk70asqhq_0
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Cu16
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Cu
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A
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PO_1008441879469802280838743
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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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DFT-PBE
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Cu16
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Cu
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A
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PO_1008508266447563327752725
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| 2025-04-16T18:57:59
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_1717106779657695510600381
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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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| 2025-04-16T20:40:07
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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CO_1085559851678518571524744
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Cu16
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Cu
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A
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PO_1008750009837880138533796
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| 2025-04-16T18:59:11
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DS_101uk70asqhq_0
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VASP
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DFT-PBE
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CO_8605404552869151715418268
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DS_101uk70asqhq_0
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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_1009242517846984454208521
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| 2025-04-16T21:12:08
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DS_101uk70asqhq_0
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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_1009163196015558449409362
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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
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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
|
Cu
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A
|
[
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1
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[
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PO_1009163660629168107187483
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| 2025-04-16T16:47:36
|
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
|
[
"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_1009302507063583864470974
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| 2025-04-17T18:48:22
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -39.688072
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CO_1110951259863924215888392
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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
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1009412478598573044810837
|
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| 2025-04-16T18:49:16
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -57.338032
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Cu16
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Cu
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A
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PO_1009435894712644362415574
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| 2025-04-16T18:05:35
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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_1009413222299168790290011
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| 2025-04-16T17:21:01
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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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data/MD/5202/MD_1086845055867124744315202.json
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PO_1009401980159212386909479
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| 2025-04-16T21:56:50
|
DS_101uk70asqhq_0
| 1
|
VASP
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DFT-PBE
| -55.301476
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CO_5549994218024069131719282
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[
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Cu16
|
Cu
|
A
|
[
"Cu"
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[
1
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] | 16
| 1
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1009598539417027995884322
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| 2025-04-16T16:07:38
|
DS_101uk70asqhq_0
| 1
|
VASP
|
DFT-PBE
| -57.548168
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DS_101uk70asqhq_0
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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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data/MD/5202/MD_1086845055867124744315202.json
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PO_4989739164347306961568955
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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_4985725570034795838714360
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| 2025-04-16T21:12:08
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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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[
1
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[
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PO_4985312311038230464568832
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| 2025-04-16T19:03:17
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_1479168897650827341437732
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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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[
"data.041_set.000_27"
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4982683803714931096197293
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| 2025-04-16T21:09:01
|
DS_101uk70asqhq_0
| 1
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VASP
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DFT-PBE
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CO_9193935231615883049435927
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Cu16
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[
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