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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/6457/MD_1200027204891759724396457.json
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PO_5082484502618530060161336
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| 2025-04-16T15:09:28
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/5330/MD_2513602883316782843935330.json
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DS_paehju6qhaym_0
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VASP
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/2715/MD_7623105300140837854472715.json
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| 2025-04-16T16:05:10
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DS_paehju6qhaym_0
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VASP
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data/MD/3334/MD_7664918303707473416593334.json
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/0088/MD_5364420007483051245030088.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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PO_1080488305604762163247715
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| 2025-04-16T21:37:17
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/3684/MD_2850552006611871981673684.json
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PO_1080451172748484880683493
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| 2025-04-16T21:09:01
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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DS_paehju6qhaym_0
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Si64
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/7132/MD_8812812989992249124497132.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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PO_1030297940205057324636384
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| 2025-04-16T19:07:32
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/6610/MD_5191882074205964045066610.json
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PO_1079727185405914470140856
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| 2025-04-16T15:44:54
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
| -353.971633
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DS_paehju6qhaym_0
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/2247/MD_3024199383901136420692247.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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PO_5136214695712426555205678
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| 2025-04-16T15:45:17
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/1238/MD_5811599771548902323991238.json
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PO_1031418049798539074755007
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| 2025-04-17T17:45:49
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/6917/MD_9194999664491208774476917.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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PO_1032259633167648008375724
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| 2025-04-16T21:04:14
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
| -364.806028
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/9777/MD_1001248297169233181889777.json
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PO_1084791813785339736149245
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| 2025-04-16T20:38:41
|
DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 2.966889
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CO_3155244282702172016549688
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data/MD/1661/MD_5577206721215149207031661.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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PO_1032343450481624327857824
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| 2025-04-16T20:26:29
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/3616/MD_1295288045901074627963616.json
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PO_5202371340399416369732713
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| 2025-04-16T19:57:30
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
| -130.627338
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DS_paehju6qhaym_0
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/7242/MD_1095155168364163717527242.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/4171/MD_5102940854084780422164171.json
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PO_1087637490694132749239735
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/6198/MD_1187647775586672142826198.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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Si64
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/4172/MD_5226492636102645288054172.json
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PO_1088344492937019137692791
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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DS_paehju6qhaym_0
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/7924/MD_2993820658096052849597924.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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PO_1089918814492413535076848
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| 2025-04-16T16:09:32
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/0090/MD_2980560788617579456200090.json
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PO_1090240932840670816200244
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/0559/MD_7104098267227513750540559.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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PO_5316973515421150322567773
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| 2025-04-16T16:07:22
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/9237/MD_4992311937287478841389237.json
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PO_1092080929465037260781134
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| 2025-04-16T18:46:47
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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DS_paehju6qhaym_0
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DFT-PBE
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| 2025-04-16T16:31:56
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DS_paehju6qhaym_0
| 1
|
VASP
|
DFT-PBE
| -364.832801
|
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[] | null | null | null | null | null | null | 2.989125
| 1.063579
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CO_3613183354467168678509713
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true,
true,
true
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Si64
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Si
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A
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| 1
| 3
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[
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[
"Si_md_1097"
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/9130/MD_7823448732059155629009130.json
| null |
{"kinetic-energy": 19.214173, "temperature": 2359.47, "hash": "7823448732059155629009130792089111228372414844334831174204142621606030138155074648022781533218461145583677316288427842144718292038252239895423215993041302", "id": "MD_7823448732059155629009130"}
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PO_5354060767657490661422739
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| 2025-04-16T21:23:51
|
DS_paehju6qhaym_0
| 1
|
VASP
|
DFT-PBE
| -297.351974
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[] | null | null | null | null | null | null | 4.714847
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CO_9775395762290066047483183
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data/MD/3342/MD_7936163901725492269163342.json
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/4200/MD_2008574890550109858864200.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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DS_paehju6qhaym_0
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Si64
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/3664/MD_6398436821381774790713664.json
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/0778/MD_1114214548430347242070778.json
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DS_paehju6qhaym_0
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Si64
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Si
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/3976/MD_4833561536159930505243976.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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DS_paehju6qhaym_0
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/8145/MD_1843206133121651029348145.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/4610/MD_9520773610493159893254610.json
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/3679/MD_1095237087211847772153679.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/6074/MD_3714655554682461040316074.json
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DS_paehju6qhaym_0
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VASP
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/8155/MD_3967652573628113950548155.json
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PO_5443870568006054831048027
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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DS_paehju6qhaym_0
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Si64
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/2009/MD_2890168512625022628622009.json
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DS_paehju6qhaym_0
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/9759/MD_2118727261412578693859759.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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DS_paehju6qhaym_0
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/8772/MD_9048461619379084636258772.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/3831/MD_1045415896822046580523831.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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DS_paehju6qhaym_0
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/4267/MD_3604741836449121168974267.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/3817/MD_6493639565322514492793817.json
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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DS_paehju6qhaym_0
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DS_paehju6qhaym_0
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Si
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/9332/MD_7557062594632025341799332.json
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/1150/MD_1152908943031259084021150.json
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DS_paehju6qhaym_0
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/1545/MD_7791919108077951461391545.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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DS_paehju6qhaym_0
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/5349/MD_3668530494309511317495349.json
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DS_paehju6qhaym_0
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/4892/MD_1358791233696148834984892.json
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| 2025-04-16T21:23:51
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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DS_paehju6qhaym_0
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/2384/MD_4332526337782351882532384.json
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PO_1105795930176659857906109
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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PO_1050046237796599486103516
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| 2025-04-16T21:44:51
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/7290/MD_1146124331298844954087290.json
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PO_1107427744855395706302628
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| 2025-04-16T15:44:14
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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Si64
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Si
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A
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[
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/7807/MD_4208160997020191881467807.json
| null |
{"kinetic-energy": 1.830215, "temperature": 224.75, "hash": "4208160997020191881467807279826566286167506586974240818327615162261426710572403064487698181535344690090966563036098851917605965705731031613869336301873765", "id": "MD_4208160997020191881467807"}
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{"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"}
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PO_5610225210552275088131444
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| 2025-04-16T22:03:29
|
DS_paehju6qhaym_0
| 1
|
VASP
|
DFT-PBE
| -364.808422
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[] | null | null | null | null | null | null | 3.408688
| 1.345136
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CO_6193526799664714647980637
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[
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true
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Si64
|
Si
|
A
|
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[
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| 1
| 3
|
[
1,
1,
1
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/2456/MD_3489495148000860498542456.json
| null |
{"kinetic-energy": 15.11015, "temperature": 1855.5, "hash": "348949514800086049854245676795842417806601037525905880507313176622483551867080055613618480493299569821742113115335957003440159443073502791270388834342692", "id": "MD_3489495148000860498542456"}
|
{"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"}
|
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