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DS_ouwlietscprn_0
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DS_ouwlietscprn_0
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DS_ouwlietscprn_0
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VASP
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DS_ouwlietscprn_0
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VASP
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V
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A
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PO_1005331037399850389299253
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| 2025-04-16T19:06:05
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DS_ouwlietscprn_0
| 1
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VASP
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CO_3332601011291327216988317
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V2
|
V
|
A
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[
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[
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data/MD/7781/MD_9319549970378023349687781.json
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PO_1004386456390653263550885
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| 2025-04-16T15:41:03
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DS_ouwlietscprn_0
| 1
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VASP
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DFT-PBE
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CO_2584155491394327099323316
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V
|
V
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A
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[
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[
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[
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data/MD/0781/MD_1618947343884715919650781.json
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data/MD/0237/MD_7940789923608474251760237.json
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PO_4940043294311840661486541
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| 2025-04-16T21:51:46
|
DS_ouwlietscprn_0
| 1
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VASP
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DFT-PBE
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[
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CO_6579628521534634847336803
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V2
|
V
|
A
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[
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[
1
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[
23,
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| 1
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[
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data/MD/0781/MD_1618947343884715919650781.json
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data/MD/2770/MD_9785073725370572482662770.json
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PO_4940329205511769966437960
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| 2025-04-16T21:22:14
|
DS_ouwlietscprn_0
| 1
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VASP
|
DFT-PBE
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[
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CO_1220483661213050396989630
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V
|
V
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A
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[
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[
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data/MD/0781/MD_1618947343884715919650781.json
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DS_ouwlietscprn_0
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DS_ouwlietscprn_0
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DS_ouwlietscprn_0
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PO_4961123217655843165723275
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| 2025-04-16T22:03:29
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DS_ouwlietscprn_0
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A
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| 2025-04-16T15:45:10
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DS_ouwlietscprn_0
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VASP
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A
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PO_1006601610099320043693794
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| 2025-04-16T17:56:50
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DS_ouwlietscprn_0
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VASP
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CO_1308390168502245996936995
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V2
|
V
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A
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[
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[
1
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[
23,
23
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| 1
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[
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1
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[
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data/MD/0781/MD_1618947343884715919650781.json
|
data/MD/7394/MD_1272092976825036059217394.json
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PO_1006614549457539664236217
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| 2025-04-17T17:35:57
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DS_ouwlietscprn_0
| 1
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VASP
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DFT-PBE
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[
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CO_2764140931007714849457423
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V
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A
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data/MD/0237/MD_7940789923608474251760237.json
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PO_1006965783024413338212320
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| 2025-04-16T16:45:11
|
DS_ouwlietscprn_0
| 1
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VASP
|
DFT-PBE
| -8.988382
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[
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CO_8858159959551787889100632
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V
|
V
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A
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[
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[
1
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[
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[
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[
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data/MD/0781/MD_1618947343884715919650781.json
|
data/MD/0237/MD_7940789923608474251760237.json
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PO_1006881868861043410413400
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| 2025-04-16T19:56:50
|
DS_ouwlietscprn_0
| 1
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VASP
|
DFT-PBE
| -8.967676
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[
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CO_2090790078016830621295435
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V
|
V
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A
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[
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data/MD/0781/MD_1618947343884715919650781.json
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data/MD/0237/MD_7940789923608474251760237.json
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DS_ouwlietscprn_0
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DS_ouwlietscprn_0
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DS_ouwlietscprn_0
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DS_ouwlietscprn_0
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DS_ouwlietscprn_0
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DS_ouwlietscprn_0
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DS_ouwlietscprn_0
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| 2025-04-16T17:38:30
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DS_ouwlietscprn_0
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VASP
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| 2025-04-16T21:22:14
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DS_ouwlietscprn_0
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VASP
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PO_1010341299076567498220593
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| 2025-04-16T21:09:01
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DS_ouwlietscprn_0
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VASP
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V
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A
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PO_1010466467647813732661330
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| 2025-04-16T21:30:02
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DS_ouwlietscprn_0
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VASP
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| 2025-04-16T21:17:32
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DS_ouwlietscprn_0
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DS_ouwlietscprn_0
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data/MD/0237/MD_7940789923608474251760237.json
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PO_1014125107657397473499512
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DS_ouwlietscprn_0
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DS_ouwlietscprn_0
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PO_4485598118909973647290527
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DS_ouwlietscprn_0
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V54
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PO_4489626153581701551442241
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DS_ouwlietscprn_0
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VASP
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DFT-PBE
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DS_ouwlietscprn_0
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V8
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PO_1013793618852922600513234
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DS_ouwlietscprn_0
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VASP
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DFT-PBE
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[
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-0.0009191852389276825,
0.005842735631313083
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] | null | null | null | null | null | null | 0
| 0
| null |
CO_1170310194396386482506709
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[
[
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0
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[
true,
true,
true
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V
|
V
|
A
|
[
"V"
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[
1
] |
[
23
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| 1
| 3
|
[
1,
1,
1
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[
"fcc"
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data/MD/0781/MD_1618947343884715919650781.json
|
data/MD/0092/MD_3899010675055765347650092.json
| null |
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PO_1013708358741060086410156
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| 2025-04-16T16:09:32
|
DS_ouwlietscprn_0
| 1
|
VASP
|
DFT-PBE
| -8.962073
|
[
[
0,
0,
0
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[
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0.001397693201194289,
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| 0
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CO_5131200580569286255490089
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[
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0
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[
true,
true,
true
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V
|
V
|
A
|
[
"V"
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[
1
] |
[
23
] | 1
| 1
| 3
|
[
1,
1,
1
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[
"slice_sample"
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data/MD/0781/MD_1618947343884715919650781.json
|
data/MD/0237/MD_7940789923608474251760237.json
| null |
{"configuration_type": "slice_sample", "hash": "7940789923608474251760237604814968442006272925312225567157973028882216171000867096195651611048843836436221007456493621963660978614627133828894574272445958", "id": "MD_7940789923608474251760237"}
|
{"POTCAR": "PAW_PBE V_sv 02Aug2007", "input": {"EDIFF": "1.00e-06", "ENCUT": "500.000000", "GGA": "PE", "ISMEAR": 1, "KSPACING": "bulk: 0.150000; surface: 1 k-point along surface normal", "LASPH": ".TRUE.", "NELMIN": 4, "PREC": "Accurate", "SIGMA": "0.100000", "file-type": "INCAR"}, "hash": "1618947343884715919650781165400478360554909711701205905632499066781697235271861016635116292261692133009993887621509693431422712739081352168333546782957624", "id": "MD_1618947343884715919650781"}
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PO_4477894487761023180690603
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| 2025-04-16T17:42:42
|
DS_ouwlietscprn_0
| 1
|
VASP
|
DFT-PBE
| -8.955552
|
[
[
0,
0,
0
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[
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[
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-0.0012913460495770843,
-0.04549289045525183
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| 0
| null |
CO_1237318122647264265544969
|
12373181226472642655449692613802132889206559270852477000336663906437185260568066181981842615364211408666319965219270144483635923263100395536152326941868789
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[
[
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0
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[
true,
true,
true
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V
|
V
|
A
|
[
"V"
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[
1
] |
[
23
] | 1
| 1
| 3
|
[
1,
1,
1
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[
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data/MD/0781/MD_1618947343884715919650781.json
|
data/MD/0237/MD_7940789923608474251760237.json
| null |
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|
{"POTCAR": "PAW_PBE V_sv 02Aug2007", "input": {"EDIFF": "1.00e-06", "ENCUT": "500.000000", "GGA": "PE", "ISMEAR": 1, "KSPACING": "bulk: 0.150000; surface: 1 k-point along surface normal", "LASPH": ".TRUE.", "NELMIN": 4, "PREC": "Accurate", "SIGMA": "0.100000", "file-type": "INCAR"}, "hash": "1618947343884715919650781165400478360554909711701205905632499066781697235271861016635116292261692133009993887621509693431422712739081352168333546782957624", "id": "MD_1618947343884715919650781"}
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