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float64 | mean_force_norm
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string | structure_hash
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list | nsites
int32 | nelements
int32 | nperiodic_dimensions
int32 | dimension_types
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list | labels
list | property_metadata_path
string | configuration_metadata_path
string | hash
string | configuration_metadata
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Si64
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Si
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/1952/MD_7985640999178519800601952.json
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PO_1110457380320992981592325
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| 2025-04-16T21:56:50
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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/6533/MD_2615039615490369594656533.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/7833/MD_1304286182970251487527833.json
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PO_5645130176793043807950434
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| 2025-04-16T22:04:30
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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PO_1111275466456735326191747
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| 2025-04-16T16:28:49
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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/5308/MD_6823907863796267628215308.json
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| 2025-04-16T18:47:54
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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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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/6383/MD_1024803895421862668216383.json
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PO_1113521570529242304860066
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/0005/MD_1217046762507768156930005.json
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| 2025-04-16T21:28:46
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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/5191/MD_1145104198092424390035191.json
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PO_5684612838187073001011782
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/3985/MD_7171402552021406053543985.json
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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/3604/MD_9414889129817159029073604.json
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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PO_1118623558690076794767047
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| 2025-04-16T21:21:56
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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CO_4077846622447433912566907
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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/1643/MD_5265870983554526888771643.json
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PO_1119208716868198092222817
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| 2025-04-16T21:51:00
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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CO_8698403329907710769722358
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data/MD/1208/MD_5326392192327789473511208.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/0648/MD_6236418678930843323580648.json
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PO_1119622431150075957257759
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| 2025-04-16T22:04:30
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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PO_5743692697505933401829269
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| 2025-04-16T16:08:27
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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/2455/MD_1917066961336578928102455.json
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PO_5729312267157237641342601
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| 2025-04-16T16:06:55
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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/5338/MD_9370004773274076408255338.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/0585/MD_6403320710013271506060585.json
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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| 2025-04-16T17:41:42
|
DS_paehju6qhaym_0
| 1
|
VASP
|
DFT-PBE
| -364.822626
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[] | null | null | null | null | null | null | 3.404229
| 1.263443
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CO_1038579329994496982063406
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true,
true,
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Si64
|
Si
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A
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[
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| 1
| 3
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[
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[
"Si_md_754"
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/8103/MD_1284323285265580634298103.json
| null |
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PO_5774393281917888872073192
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| 2025-04-16T17:41:23
|
DS_paehju6qhaym_0
| 1
|
VASP
|
DFT-PBE
| -121.187862
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[] | null | null | null | null | null | null | 2.077224
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CO_6875764245490739055291980
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data/MD/8755/MD_1753029158179918010848755.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
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data/MD/9986/MD_3011471478399451152209986.json
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PO_1124144220402418377059811
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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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| 2025-04-16T17:49:49
|
DS_paehju6qhaym_0
| 1
|
VASP
|
DFT-PBE
| -364.831928
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[] | null | null | null | null | null | null | 3.155625
| 1.377137
| null |
CO_2394768828904467165409125
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true,
true,
true
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Si64
|
Si
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A
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[
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| 1
| 3
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[
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1
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[
"Si_md_958"
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/1795/MD_6154774247488533147581795.json
| null |
{"kinetic-energy": 18.506619, "temperature": 2272.58, "hash": "6154774247488533147581795136363000691092140777780282408415291650009637629740223205272868442825624999844219139535264340104311289798341728549173581881504469", "id": "MD_6154774247488533147581795"}
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{"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"}
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PO_1124834758194557776587535
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| 2025-04-16T17:10:24
|
DS_paehju6qhaym_0
| 1
|
VASP
|
DFT-PBE
| -364.805628
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[] | null | null | null | null | null | null | 3.303639
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CO_3091462860491269452900417
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/5138/MD_1781920748541517495085138.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/0993/MD_7182586109952149125630993.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
|
data/MD/1600/MD_3832513700094555773371600.json
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PO_1129029945757344261760985
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| 2025-04-16T16:32:22
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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[
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data/MD/1095/MD_2375403916657801067651095.json
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DS_paehju6qhaym_0
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VASP
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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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DS_paehju6qhaym_0
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/9178/MD_8244201208913148762849178.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/5339/MD_3197409577956173478935339.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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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/0787/MD_6045922113238954975410787.json
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PO_5903960766924490595015664
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
| 179.366759
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data/MD/2870/MD_9251550953368701728562870.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/7043/MD_3058563560785417347337043.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/0951/MD_1950169631514599860580951.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
|
data/MD/1525/MD_4230236180093265960461525.json
| null |
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PO_1139631943797056764435041
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| 2025-04-16T18:35:01
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DS_paehju6qhaym_0
| 1
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VASP
|
DFT-PBE
| -327.532983
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data/MD/7213/MD_9780603604693616526197213.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/0293/MD_1126122793600566323750293.json
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PO_5948382101167812697640565
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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/4475/MD_6761712357485731510994475.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
|
data/MD/0852/MD_6210932887864286666880852.json
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PO_5942413166254145912170297
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| 2025-04-16T20:28:32
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
| -364.812693
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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/8978/MD_7273658402296847717008978.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/1020/MD_1337903202210024339051020.json
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PO_1141559321867547750981880
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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/7975/MD_1967329891838359924377975.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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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/6042/MD_1032389819634073967096042.json
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PO_5980673093165277431270645
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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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DS_paehju6qhaym_0
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data/MD/8736/MD_1220478123936373023238736.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
|
data/MD/5962/MD_2395030861423616039005962.json
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PO_1146979848371264983420479
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| 2025-04-16T21:51:00
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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/2265/MD_1303285732825797830162265.json
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Si64
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/0459/MD_8291795687316338371730459.json
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DS_paehju6qhaym_0
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data/MD/8449/MD_7581828010903321009608449.json
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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/1611/MD_8530584625943076369911611.json
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PO_5938086529351260925888563
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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/4828/MD_2187751583548410273084828.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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DS_paehju6qhaym_0
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Si64
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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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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/8758/MD_5353178686249152846108758.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/2442/MD_1314179730594088454372442.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/1286/MD_8811642098204208089061286.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
|
data/MD/3044/MD_2956367444729825364323044.json
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PO_6048099863410469031854806
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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/4705/MD_1116511177993917993784705.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/0399/MD_2118097062630613848120399.json
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PO_1154504380293786361570297
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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/5598/MD_8612660380528535242455598.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/1933/MD_3366444495338876247821933.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/2043/MD_7261936351319620346112043.json
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PO_6074258851595688149826296
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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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Si
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/5010/MD_1010254574313989693355010.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/8823/MD_1223075001498557614598823.json
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DS_paehju6qhaym_0
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VASP
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/4768/MD_1483278969192014244334768.json
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PO_6115525371643846232320202
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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/7234/MD_2900216782219796640187234.json
| null |
{"kinetic-energy": 1.423682, "temperature": 174.83, "hash": "2900216782219796640187234157207008345904053311055890377912591397726991656044878557957385495110113376462069417968087426261845571429172667469541141291715606", "id": "MD_2900216782219796640187234"}
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{"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"}
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PO_1160135665328903996892343
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| 2025-04-16T17:33:30
|
DS_paehju6qhaym_0
| 1
|
VASP
|
DFT-PBE
| -364.820616
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[] | null | null | null | null | null | null | 3.105473
| 1.179651
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CO_1135272421782475496381052
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[
true,
true,
true
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Si64
|
Si
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A
|
[
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[
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| 1
| 3
|
[
1,
1,
1
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[
"Si_md_717"
] | null |
data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/2867/MD_5990171939309147802772867.json
| null |
{"temperature": 2311.52, "hash": "5990171939309147802772867670708907973784128490934056807764931089425789336685835524157425387192986893267374296998559186952425882736504793378177023059460511", "id": "MD_5990171939309147802772867"}
|
{"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"}
|
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