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2025-04-16T16:50:51
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T21:27:46
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T17:31:19
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T19:57:19
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T18:32:22
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T21:23:51
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T18:47:35
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4977351421314554110312967
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2025-04-16T17:47:41
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T15:42:55
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T15:44:31
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T21:27:46
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4435804400561979416459638
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2025-04-16T18:41:17
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4441687936709653493269648
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2025-04-17T17:56:16
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4988007828789980378194576
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2025-04-16T20:52:01
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4992983495153411000113735
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2025-04-16T17:45:47
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T17:21:01
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4997705051662388137110422
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2025-04-16T21:44:51
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-400.96865
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C50
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50
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null
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PO_4434482966852075805603229
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2025-04-16T19:49:42
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-398.527763
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C50
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50
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null
data/MD/4357/MD_1024398629573454165794357.json
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PO_4434670631756984355443191
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2025-04-16T20:11:56
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-520.221629
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C59
C
A
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59
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null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
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PO_4999003950927699721190270
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2025-04-16T16:03:51
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-644.414584
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C72
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72
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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_1009945735119988341495043
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2025-04-16T18:09:08
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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C64
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64
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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_1010272645699563329981351
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2025-04-16T17:56:02
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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C60
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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_1010200454857754664707570
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2025-04-16T15:42:56
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T17:32:29
DS_07zjrtacjg3z_0
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2025-04-16T21:51:00
DS_07zjrtacjg3z_0
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2025-04-16T17:44:43
DS_07zjrtacjg3z_0
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DFT-PBE
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2025-04-16T20:33:11
DS_07zjrtacjg3z_0
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DFT-PBE
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2025-04-16T17:11:24
DS_07zjrtacjg3z_0
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DFT-PBE
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2025-04-16T21:43:16
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_1011986218840063828066701
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2025-04-17T18:06:06
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_1012084865229704425371211
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2025-04-16T17:45:08
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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C63
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PO_1012194633346069873132993
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2025-04-16T21:38:17
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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C53
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PO_1012257292500148940277034
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2025-04-16T16:50:03
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-194.290933
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C24
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PO_1012376460619719011740694
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2025-04-16T18:44:42
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-616.959577
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C72
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PO_1010624194915500975070954
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2025-04-16T21:13:40
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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C53
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53
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null
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PO_1011082054430242888207384
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2025-04-16T18:04:10
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-193.812488
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C24
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PO_1011193205726312430695571
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2025-04-16T17:12:12
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-617.163025
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C72
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PO_1011289630516126941348276
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2025-04-16T21:57:13
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-194.890266
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2025-04-16T18:43:29
DS_07zjrtacjg3z_0
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2025-04-16T21:29:37
DS_07zjrtacjg3z_0
1
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DFT-PBE
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2025-04-16T18:49:39
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_1012495534822642129119939
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2025-04-16T17:55:48
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T20:11:56
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_1012655189736371743018156
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2025-04-16T17:50:00
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_1012838418892720960544381
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2025-04-16T18:47:54
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_1012839266202322391778659
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2025-04-16T15:45:08
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-486.020224
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2025-04-16T15:44:40
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-437.602036
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{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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2025-04-16T20:38:41
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-605.529271
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PO_4442077723359016698112124
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2025-04-16T18:49:16
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-523.19103
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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_4445093773274614190171548
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2025-04-17T17:56:16
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-380.553481
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C50
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data/MD/4357/MD_1024398629573454165794357.json
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PO_4450263667898142216437026
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2025-04-16T22:04:30
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-521.498074
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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_4450332308924374138353389
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2025-04-16T20:41:36
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-397.006732
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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_4444773361347812757954876
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2025-04-16T15:42:26
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-535.662504
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2025-04-16T15:44:43
DS_07zjrtacjg3z_0
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VASP
DFT-PBE
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2025-04-16T16:42:03
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T20:57:06
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4462453296708206173305029
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2025-04-17T18:16:17
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T21:52:07
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4461829587777712107769622
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2025-04-16T16:30:10
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4453639339151749356028229
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2025-04-16T16:24:37
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4453885531603972584753115
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2025-04-16T18:26:42
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T17:48:04
DS_07zjrtacjg3z_0
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2025-04-16T15:18:29
DS_07zjrtacjg3z_0
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VASP
DFT-PBE
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2025-04-16T17:47:41
DS_07zjrtacjg3z_0
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VASP
DFT-PBE
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2025-04-16T15:42:27
DS_07zjrtacjg3z_0
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VASP
DFT-PBE
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2025-04-16T19:56:50
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T18:07:53
DS_07zjrtacjg3z_0
1
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DFT-PBE
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PO_4464818311992647431732070
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2025-04-16T17:20:23
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4464729533106452882921761
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2025-04-16T21:23:51
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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C71
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PO_4471102592097737022481838
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2025-04-16T17:29:14
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-522.210438
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C59
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data/MD/4357/MD_1024398629573454165794357.json
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PO_4473665277543170053764174
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2025-04-17T17:56:16
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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C55
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{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_4472206739714612184908472
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2025-04-17T18:26:41
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-194.653472
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C24
C
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null
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{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
PO_1050295676159321020932651
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2025-04-16T22:04:30
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-628.099088
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C71
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A
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71
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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_1050287198736440633527797
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2025-04-16T17:20:23
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-616.597867
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C72
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72
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null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
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PO_1014588199632881118931856
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2025-04-16T16:05:52
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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C50
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A
[ "C" ]
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50
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null
data/MD/4357/MD_1024398629573454165794357.json
null
null
null
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PO_1050764304824298905378693
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2025-04-16T21:14:40
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T21:37:17
DS_07zjrtacjg3z_0
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2025-04-16T15:44:05
DS_07zjrtacjg3z_0
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2025-04-16T17:20:25
DS_07zjrtacjg3z_0
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2025-04-16T16:08:10
DS_07zjrtacjg3z_0
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PO_1014356336586832252014794
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2025-04-17T17:35:57
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T18:26:59
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_1051306903436157125936990
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2025-04-16T16:08:23
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-17T18:16:17
DS_07zjrtacjg3z_0
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2025-04-16T21:14:40
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-618.18471
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2025-04-16T17:11:55
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T17:41:26
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-371.760366
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C50
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PO_4478772274795714731199366
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2025-04-16T21:30:02
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4478648591755455140688638
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2025-04-16T20:04:32
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4483524971265974509356846
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2025-04-17T18:37:27
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4488088820812267010095022
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2025-04-16T16:08:27
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T21:30:02
DS_07zjrtacjg3z_0
1
VASP
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2025-04-16T18:40:27
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T17:45:47
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-383.494374
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2025-04-16T21:14:40
DS_07zjrtacjg3z_0
1
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DFT-PBE
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PO_4491101295313380272578243
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2025-04-16T16:33:14
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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2025-04-16T21:14:40
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4494345074455719743292571
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2025-04-16T16:28:43
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
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PO_4494181488741600607113709
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2025-04-16T20:46:51
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-382.123853
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C50
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data/MD/4357/MD_1024398629573454165794357.json
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PO_4492428032940900223925309
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2025-04-16T21:51:00
DS_07zjrtacjg3z_0
1
VASP
DFT-PBE
-487.467798
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C55
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data/MD/4357/MD_1024398629573454165794357.json
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