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2025-04-16T21:22:14
DS_h0mshvvbxlai_0
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2025-04-16T21:14:40
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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C108
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[ "C" ]
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108
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[ "test_images__897" ]
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data/MD/4357/MD_1024398629573454165794357.json
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{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1002175662737657942766583
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2025-04-16T21:12:08
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-1,086.545705
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[ true, true, true ]
C120
C
A
[ "C" ]
[ 1 ]
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120
1
3
[ 1, 1, 1 ]
[ "test_images__2630" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
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PO_1002424988484753744351382
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2025-04-16T17:54:52
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-490.977447
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[ true, true, true ]
C54
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
54
1
3
[ 1, 1, 1 ]
[ "test_images__2277" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1002611552276153816181774
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2025-04-16T15:09:27
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-490.979371
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2025-04-16T20:10:30
DS_h0mshvvbxlai_0
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2025-04-16T16:07:46
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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[ true, true, true ]
C108
C
A
[ "C" ]
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108
1
3
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[ "test_images__125" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1000198624590171022473685
10001986245901710224736852450034058160309096644631862856761218845314586510476334537936607157987640466367563440451523915715050436501051693860845537033976114
2025-04-16T18:52:13
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.262317
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[ true, true, true ]
C64
C
A
[ "C" ]
[ 1 ]
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64
1
3
[ 1, 1, 1 ]
[ "test_images__2533" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4929940337077445488522535
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2025-04-16T20:30:11
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.262883
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C64
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64
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data/MD/4357/MD_1024398629573454165794357.json
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null
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PO_4938692124911793347786404
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2025-04-16T21:43:16
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.2522
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[ true, true, true ]
C64
C
A
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64
1
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[ "test_images__574" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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2025-04-16T21:57:13
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-553.510183
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C60
C
A
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60
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data/MD/4357/MD_1024398629573454165794357.json
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null
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PO_4931083399619345892554395
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2025-04-16T21:22:14
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.341409
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C108
C
A
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data/MD/4357/MD_1024398629573454165794357.json
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PO_4931375436354670874348658
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2025-04-16T22:03:29
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-98.764924
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C12
C
A
[ "C" ]
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12
1
3
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[ "test_images__2338" ]
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data/MD/4357/MD_1024398629573454165794357.json
null
null
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PO_4936679621801245025871686
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2025-04-16T15:43:17
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-553.510218
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[ true, true, true ]
C60
C
A
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60
1
3
[ 1, 1, 1 ]
[ "test_images__211" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
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PO_4939393709929172563929241
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2025-04-16T16:33:14
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-490.979517
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[ true, true, true ]
C54
C
A
[ "C" ]
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54
1
3
[ 1, 1, 1 ]
[ "test_images__2163" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
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PO_4902605217472348416956124
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2025-04-16T21:51:00
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.342617
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1.307681
0.057326
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[ true, true, true ]
C108
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
108
1
3
[ 1, 1, 1 ]
[ "test_images__2118" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4909048307771589206544086
4909048307771589206544086887090507478218826727769080134531394920971469563337875545934965185879312746986121260652782180158700404273802337285389080230149244
2025-04-16T20:29:09
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.342367
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[ true, true, true ]
C108
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
108
1
3
[ 1, 1, 1 ]
[ "test_images__2267" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1001231606002757420976081
10012316060027574209760819803742334179582979660138356225253191122316230695594385005429490997832133494915211879913557809588404439998361879833180662731466293
2025-04-16T17:21:42
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-98.765074
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null
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null
0.158711
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CO_1259189850655920256311322
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[ [ 20.1, 0, 0 ], [ 0, 20.1, 0 ], [ 0, 0, 15.42680804 ] ]
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[ true, true, true ]
C12
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
1
3
[ 1, 1, 1 ]
[ "test_images__1201" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1001444217704431278546218
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2025-04-16T21:09:01
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-490.979385
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[ true, true, true ]
C54
C
A
[ "C" ]
[ 1 ]
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54
1
3
[ 1, 1, 1 ]
[ "test_images__1671" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4917548885437771451394983
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2025-04-17T18:26:41
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.258667
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1.945619
0.10407
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[ true, true, true ]
C64
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
64
1
3
[ 1, 1, 1 ]
[ "test_images__258" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4919267455087497107434543
491926745508749710743454312360298291122274238300931125886471035144214511434624791301641262331613732789087532492090607175352183859173142384232417776763040
2025-04-16T18:57:08
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.341349
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data/MD/4357/MD_1024398629573454165794357.json
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{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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2025-04-16T16:54:34
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-553.495364
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2025-04-16T21:23:51
DS_h0mshvvbxlai_0
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2025-04-16T21:37:22
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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2025-04-16T20:40:07
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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C54
C
A
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54
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[ "test_images__87" ]
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data/MD/4357/MD_1024398629573454165794357.json
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PO_1004896074860856956836255
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2025-04-16T21:51:00
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.256096
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[ true, true, true ]
C64
C
A
[ "C" ]
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64
1
3
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[ "test_images__2550" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1005868978460594359775091
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2025-04-16T18:45:21
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.244384
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A
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data/MD/4357/MD_1024398629573454165794357.json
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null
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PO_1006097330082495134135578
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2025-04-16T17:56:50
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.341443
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A
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data/MD/4357/MD_1024398629573454165794357.json
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null
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PO_1006476970228129021625267
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2025-04-16T16:55:31
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.348579
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[ true, true, true ]
C108
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
108
1
3
[ 1, 1, 1 ]
[ "test_images__2659" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1003379558709269889661583
10033795587092698896615834771324812363137348683958902983839758488943924014541485139044120058220249931997508390379570851037084152387072512290879322633093525
2025-04-16T21:43:25
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-98.527538
[ [ -4e-8, -4e-8, -3.53367527 ], [ 1e-8, 1e-8, 0.42784964 ], [ 0, 0, 0.05623289 ], [ 0, 0, -0.02244137 ], [ 0, 0, 0.05104715 ], [ -1e-8, 0, 0.40710932 ], [ 3e-8, 3e-8, 1.63809184 ], [ 0, 0, -0.17859048 ], [ 0, 0, 0.00405706 ], [ 0, 0, 0.00622475 ], [ 0, 0, -0.16928086 ], [ 0, 0, 1.31337534 ] ]
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null
null
null
null
null
null
3.533675
0.650665
null
CO_1303634019219954906964722
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[ true, true, true ]
C12
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
1
3
[ 1, 1, 1 ]
[ "test_images__470" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4967461042793578779149116
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2025-04-17T18:37:27
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.258562
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[ true, true, true ]
C64
C
A
[ "C" ]
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64
1
3
[ 1, 1, 1 ]
[ "test_images__2132" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4932859433523335767270148
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2025-04-16T21:43:16
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.262885
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[ true, true, true ]
C64
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
64
1
3
[ 1, 1, 1 ]
[ "test_images__705" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4948628428936027610223304
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2025-04-16T17:24:18
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.341426
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[ true, true, true ]
C108
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
108
1
3
[ 1, 1, 1 ]
[ "test_images__1309" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4951490236347143988442530
495149023634714398844253064175397552169080384739802062326018796801999855879662209584145368118512476123815078825371339627127414441275845585045908250040009
2025-04-16T15:43:17
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.342405
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[ true, true, true ]
C108
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
108
1
3
[ 1, 1, 1 ]
[ "test_images__1130" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1008213763723886663781403
10082137637238866637814033090106790975633389905188374930654759938377646998917793607500551367558239701868351795314290238598995657368316813030381105657413989
2025-04-16T15:41:03
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.343307
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data/MD/4357/MD_1024398629573454165794357.json
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2025-04-16T17:45:08
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-553.495187
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2025-04-16T21:38:17
DS_h0mshvvbxlai_0
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VASP
DFT-PBE
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2025-04-16T17:39:39
DS_h0mshvvbxlai_0
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VASP
DFT-PBE
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C64
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2025-04-16T18:27:25
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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C64
C
A
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64
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data/MD/4357/MD_1024398629573454165794357.json
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null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1008006538702434229246179
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2025-04-16T15:14:03
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.340746
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108
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[ "test_images__2593" ]
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PO_4973088461605073753504434
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2025-04-16T20:13:01
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.341738
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[ true, true, true ]
C108
C
A
[ "C" ]
[ 1 ]
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108
1
3
[ 1, 1, 1 ]
[ "test_images__288" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4981110364707946378645857
4981110364707946378645857872257904861723305374946805040885417858486488153475707651476770118463762327546096449466177108847484544476441515678153687812074757
2025-04-16T18:03:13
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.252447
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[ true, true, true ]
C64
C
A
[ "C" ]
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64
1
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[ "test_images__1570" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4984082086393018534132853
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2025-04-16T21:43:16
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.341519
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[ true, true, true ]
C108
C
A
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108
1
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[ "test_images__1118" ]
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data/MD/4357/MD_1024398629573454165794357.json
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PO_4977267835939665194977712
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2025-04-17T18:26:41
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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2025-04-16T18:05:35
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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C64
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A
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data/MD/4357/MD_1024398629573454165794357.json
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2025-04-17T18:26:41
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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PO_4439514039808376186197796
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2025-04-16T18:55:10
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.341476
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C108
C
A
[ "C" ]
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108
1
3
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[ "test_images__380" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
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{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4985881952050159670598662
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2025-04-16T17:56:28
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-490.979454
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C54
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A
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54
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data/MD/4357/MD_1024398629573454165794357.json
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null
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PO_4995207795914247615070185
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2025-04-16T21:12:41
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-553.510199
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C60
C
A
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60
1
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[ "test_images__301" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
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PO_4994944756625418526326848
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2025-04-16T21:12:08
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-553.537569
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PO_1010930240030774595416964
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2025-04-16T17:26:05
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.341463
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PO_1011698407502924637328092
10116984075029246373280923398500410604799340338140013990272794754037901876828684877079743428627534729523273091805041007491111017198931335795760939639292134
2025-04-16T20:26:39
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-490.979219
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[ true, true, true ]
C54
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
54
1
3
[ 1, 1, 1 ]
[ "test_images__663" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1011852567393373891105964
1011852567393373891105964741541155531267918765795771018939840434444998002868357437402368353760335090280494642838547779396508167748579446626063346594064412
2025-04-16T20:16:40
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.227093
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null
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[ true, true, true ]
C64
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
64
1
3
[ 1, 1, 1 ]
[ "test_images__400" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1012577606300080507180878
1012577606300080507180878347787513523812346215730494542330641723595382457100766397295055230911787214590205680510514046356180279011645488442687216173412975
2025-04-16T20:13:01
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-553.510529
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C60
C
A
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60
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null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4450103814589793166533868
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2025-04-16T18:45:21
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-98.629063
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[ true, true, true ]
C12
C
A
[ "C" ]
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[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
1
3
[ 1, 1, 1 ]
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null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4452502445337489289990696
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2025-04-16T21:23:51
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-553.52473
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[ true, true, true ]
C60
C
A
[ "C" ]
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60
1
3
[ 1, 1, 1 ]
[ "test_images__2523" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4453739076334938286864793
4453739076334938286864793687114311490551042745100479949621945042250395728777747514127535232710337742491019082916175696610429533130215884887046450231138244
2025-04-16T18:30:08
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.227949
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null
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null
2.272557
0.173582
null
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[ true, true, true ]
C64
C
A
[ "C" ]
[ 1 ]
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64
1
3
[ 1, 1, 1 ]
[ "test_images__182" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4453218065197011758733992
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2025-04-16T16:21:06
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-490.982579
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null
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null
1.240364
0.103015
null
CO_3691720798162565123900362
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[ true, true, true ]
C54
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
54
1
3
[ 1, 1, 1 ]
[ "test_images__1985" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4451479647337330995974604
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2025-04-16T16:41:55
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.341403
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data/MD/4357/MD_1024398629573454165794357.json
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{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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2025-04-16T18:52:13
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-553.510433
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2025-04-16T16:57:08
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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C64
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2025-04-17T17:56:16
DS_h0mshvvbxlai_0
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C12
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PO_4470917748142579051906247
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2025-04-16T21:12:08
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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PO_4465845708844542947413919
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2025-04-16T16:20:59
DS_h0mshvvbxlai_0
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2025-04-16T21:14:40
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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data/MD/4357/MD_1024398629573454165794357.json
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{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4490910583773488015055755
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2025-04-16T17:29:12
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.342836
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C108
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2025-04-16T17:33:31
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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A
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64
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2025-04-16T17:54:22
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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[ true, true, true ]
C108
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
108
1
3
[ 1, 1, 1 ]
[ "test_images__2076" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1013834180556938461704211
10138341805569384617042118577770320603886007007613099207971742823671863884091479443058413344948186309827328094450862049231055039656558558512188132126872620
2025-04-16T20:29:58
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.271529
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null
null
null
null
null
null
1.171594
0.075808
null
CO_6422392749688307091488776
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[ true, true, true ]
C64
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
64
1
3
[ 1, 1, 1 ]
[ "test_images__1004" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1013986478617302658806951
10139864786173026588069515610499708043572228565983504702074669673549981553021097366546740212156145643768017263730838862964777746543245507113426050606968337
2025-04-16T15:44:31
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.344899
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[ true, true, true ]
C108
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
108
1
3
[ 1, 1, 1 ]
[ "test_images__2293" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1014533667633157848375766
10145336676331578483757667154849471858058004267878539792434309737759415959125400366204812144385276730160299209851417763546692122884366877560681517968707012
2025-04-16T17:08:59
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.341355
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[ true, true, true ]
C108
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
108
1
3
[ 1, 1, 1 ]
[ "test_images__2566" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1014654525023966918636820
10146545250239669186368209392068045500557045417261658471736718558936305593838865319408983956434158221205789824380716684510083135409852479465355995795758360
2025-04-16T16:56:18
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.341401
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[ true, true, true ]
C108
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
108
1
3
[ 1, 1, 1 ]
[ "test_images__1280" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1014733334811484551151859
10147333348114845511518599804885364413520945377296728997034658604522292974233001140420361166658473103345254887209257358268185635635174173598051225541710053
2025-04-16T17:42:42
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.344546
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[ true, true, true ]
C108
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
108
1
3
[ 1, 1, 1 ]
[ "test_images__422" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4484444466502523865410667
4484444466502523865410667550183505643357781909466400998549939021235369731925705469657905871303244528546320222218701163262342567167994174484644017027747043
2025-04-16T17:10:51
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.375375
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data/MD/4357/MD_1024398629573454165794357.json
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{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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2025-04-16T16:33:14
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-490.979465
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2025-04-16T18:33:43
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-553.515385
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C60
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PO_4496950685352112955687220
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2025-04-17T18:06:06
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.335902
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[ true, true, true ]
C108
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
108
1
3
[ 1, 1, 1 ]
[ "test_images__2078" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4498337656850065620680491
4498337656850065620680491808100690683681981951349888528245524072710298095688092684016723840935879538441139075321722212893084810980139663316340453633398518
2025-04-16T18:43:44
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.244319
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null
null
null
null
null
null
2.15636
0.141459
null
CO_6963252989179199045698051
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[ [ 13.78602148, 0, 0 ], [ 0, 13.78602148, 0 ], [ 0, 0, 20.1 ] ]
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[ true, true, true ]
C64
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
64
1
3
[ 1, 1, 1 ]
[ "test_images__1436" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4495712648971025603305827
449571264897102560330582740694345850124750208080295237551476061180669301247709680897249245393762019148486318738912309675925253635485295696809488219312284
2025-04-16T16:45:11
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-553.510772
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C60
C
A
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60
1
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[ "test_images__673" ]
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data/MD/4357/MD_1024398629573454165794357.json
null
null
null
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PO_1015032533523342759946241
10150325335233427599462417520297991201161935648130772509773484227491978661541782743706137051937936823504119935041382573997154434738116522774777253126658390
2025-04-17T18:26:41
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.243457
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[ true, true, true ]
C64
C
A
[ "C" ]
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64
1
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[ 1, 1, 1 ]
[ "test_images__1205" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4544503306934388315962189
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2025-04-16T21:14:40
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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C60
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A
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[ "test_images__1139" ]
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data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4555251567646966698525340
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2025-04-16T18:06:19
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.243743
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[ true, true, true ]
C64
C
A
[ "C" ]
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64
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[ "test_images__2615" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1053546076828024283956201
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2025-04-16T18:44:42
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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C60
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data/MD/4357/MD_1024398629573454165794357.json
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PO_1053463318944917437046189
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2025-04-17T18:06:06
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.243374
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[ true, true, true ]
C64
C
A
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64
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[ "test_images__478" ]
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data/MD/4357/MD_1024398629573454165794357.json
null
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PO_1053687704284724925424758
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2025-04-16T18:27:12
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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PO_1053138093547344650496110
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2025-04-16T21:09:01
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.342362
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C108
C
A
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108
1
3
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[ "test_images__1741" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
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PO_1052932599440223766058873
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2025-04-17T18:16:17
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-553.516206
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[ true, true, true ]
C60
C
A
[ "C" ]
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60
1
3
[ 1, 1, 1 ]
[ "test_images__1822" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1015340258779989721482843
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2025-04-16T18:47:00
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.259537
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2025-04-16T16:29:45
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-553.494924
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[ true, true, true ]
C60
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A
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60
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null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
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PO_4536692456663318964472439
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2025-04-16T21:37:17
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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C60
C
A
[ "C" ]
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60
1
3
[ 1, 1, 1 ]
[ "test_images__1346" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4555311630363285489983559
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2025-04-16T16:54:34
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.342361
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1.322317
0.058518
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[ true, true, true ]
C108
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
108
1
3
[ 1, 1, 1 ]
[ "test_images__1493" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4532687597063550849808185
4532687597063550849808185445445518222270576001734044292323276823633554454118124017938414994040302984233426189120135735388880857501832329429275239595341090
2025-04-16T16:34:13
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-979.342359
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data/MD/4357/MD_1024398629573454165794357.json
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{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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2025-04-16T16:00:34
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-553.511019
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2025-04-16T18:54:58
DS_h0mshvvbxlai_0
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2025-04-16T19:05:49
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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[ true, true, true ]
C108
C
A
[ "C" ]
[ 1 ]
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108
1
3
[ 1, 1, 1 ]
[ "test_images__1350" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1016491242954837980264458
1016491242954837980264458489483545135293550133376349790246852648253590899144135140940932923748438347765846149696938216277661187532230278597507308992913765
2025-04-16T20:34:36
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-558.272857
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null
null
null
null
null
null
0.720361
0.049694
null
CO_4550253406689369594655488
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[ true, true, true ]
C64
C
A
[ "C" ]
[ 1 ]
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
64
1
3
[ 1, 1, 1 ]
[ "test_images__2266" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1054575985505289530396150
10545759855052895303961506610488273148509254246799359220737904207251809263929224752282987044074019803016838358869847350709078515494617036593860354723501003
2025-04-16T16:55:27
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-553.49537
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data/MD/4357/MD_1024398629573454165794357.json
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{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4574437614176300795617095
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2025-04-16T18:06:12
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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PO_4566904118742975088634816
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2025-04-16T17:56:50
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
-98.564222
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2025-04-16T15:18:43
DS_h0mshvvbxlai_0
1
VASP
DFT-PBE
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C108
C
A
[ "C" ]
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108
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[ "test_images__1326" ]
null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}