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int32 | dimension_types
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DS_4w9gf8dxzskh_0
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VASP
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DFT-PBEsol
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data/MD/2337/MD_5567564740972083057862337.json
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| 2025-04-16T16:10:44
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DS_4w9gf8dxzskh_0
| 1
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VASP
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DFT-PBEsol
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Co25Cr25Fe25Ni25
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CoCrFeNi
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ABCD
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data/MD/9495/MD_1097431422117183753669495.json
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{"input": {"incar": {"ADDGRID": "T", "SYSTEM": "system_name", "PREC": "Accurate", "ISTART": "0", "ICHARG": "1", "LASPH": "T", "ISPIN": "2", "LORBIT": "10", "ENCUT": "550", "NELM": "100", "NELMIN": "4", "# NELMDL": "-5", "EDIFF": "1E-6", "LREAL": "F", "VOSKOWN": "1", "# GGA": "PS", "NSW": "50", "ISIF": "2", "EDIFFG": "-0.003", "IBRION": "2", "POTIM": "0.1", "ISYM": "0", "# RWIGS": "-1.00", "EMIN": "-10.00", "EMAX": "10.00", "NEDOS": "201", "ISMEAR": "1", "SIGMA": "0.2", "ALGO": "F", "LWAVE": "F", "LCHARG": "T", "LELF": "F", "LPLANE": "T", "NCORE": "16", "LSCALU": "F", "NSIM": "4", "MAGMOM": "\\"}, "kpoints": "Automatic mesh\n0\nA\n50 # RH\n", "potcars": ["PAW_PBE Pd 04Jan2005", "PAW_PBE Fe 06Sep2000", "PAW_PBE Cr_pv 02Aug2007", "PAW_PBE Ni 02Aug2007", "PAW_PBE Mn_pv 02Aug2007", "PAW_PBE Co 02Aug2007"]}, "hash": "10974314221171837536694952520855731486502241304108945080618787582552545898189791442432905945795899914215638173830390134484603661701512590021761082897114448", "id": "MD_1097431422117183753669495"}
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| 2025-04-16T18:34:55
|
DS_4w9gf8dxzskh_0
| 1
|
VASP
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DFT-PBEsol
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Ni4
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Ni
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A
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Co30Cr30Fe30Ni30
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CoCrFeNi
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ABCD
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data/MD/9495/MD_1097431422117183753669495.json
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DS_4w9gf8dxzskh_0
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VASP
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DFT-PBEsol
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Pd4
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A
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PO_5205004932724135951482139
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DS_4w9gf8dxzskh_0
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VASP
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DFT-PBEsol
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DS_4w9gf8dxzskh_0
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VASP
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DFT-PBEsol
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data/MD/9495/MD_1097431422117183753669495.json
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DS_4w9gf8dxzskh_0
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DFT-PBEsol
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data/MD/1572/MD_1146574398317622729251572.json
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| 2025-04-16T18:25:21
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DS_4w9gf8dxzskh_0
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VASP
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DFT-PBEsol
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Co25Cr25Fe25Ni25
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CoCrFeNi
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ABCD
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[
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28,
28,
28,
28,
28,
28,
28,
28,
28,
28
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| 4
| 0
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[
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[
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data/MD/9495/MD_1097431422117183753669495.json
| null | null | null |
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| 2025-04-16T18:22:38
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DS_4w9gf8dxzskh_0
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VASP
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DFT-PBEsol
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DS_4w9gf8dxzskh_0
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VASP
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DFT-PBEsol
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data/MD/5436/MD_6919868106855140716785436.json
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{"input": {"incar": {"ADDGRID": "T", "SYSTEM": "system_name", "PREC": "Accurate", "ISTART": "0", "ICHARG": "1", "LASPH": "T", "ISPIN": "2", "LORBIT": "10", "ENCUT": "550", "NELM": "100", "NELMIN": "4", "# NELMDL": "-5", "EDIFF": "1E-6", "LREAL": "F", "VOSKOWN": "1", "# GGA": "PS", "NSW": "50", "ISIF": "2", "EDIFFG": "-0.001", "IBRION": "2", "POTIM": "0.1", "ISYM": "0", "# RWIGS": "-1.00", "EMIN": "-10.00", "EMAX": "10.00", "NEDOS": "201", "ISMEAR": "1", "SIGMA": "0.2", "ALGO": "F", "LWAVE": "F", "LCHARG": "T", "LELF": "F", "LPLANE": "T", "NCORE": "16", "LSCALU": "F", "NSIM": "4", "MAGMOM": "\\"}, "kpoints": "Automatic mesh\n0\nA\n50 # RH\n", "potcars": ["PAW_PBE Ni 02Aug2007", "PAW_PBE Co 02Aug2007"]}, "hash": "691986810685514071678543663631952993799561211749084326019432200689798882861930132416267545403457736866570381022408172322836394761676188443792552546266622", "id": "MD_6919868106855140716785436"}
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PO_6263919072810040772937615
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DS_4w9gf8dxzskh_0
| 1
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VASP
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DFT-PBEsol
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Co25Cr25Fe25Ni25
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CoCrFeNi
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ABCD
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data/MD/9495/MD_1097431422117183753669495.json
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PO_1179980559114032674798565
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DS_4w9gf8dxzskh_0
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VASP
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DFT-PBEsol
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CO_1248053354327927682013900
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Pd4
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Pd
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A
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data/MD/3563/MD_4475945042242286374963563.json
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PO_6404748053313428796722620
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| 2025-04-16T21:23:51
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DS_4w9gf8dxzskh_0
| 1
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VASP
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DFT-PBEsol
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DS_4w9gf8dxzskh_0
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DS_4w9gf8dxzskh_0
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VASP
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CoCrFeNi
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DS_4w9gf8dxzskh_0
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VASP
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PO_1234209495317979194413114
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| 2025-04-16T21:37:17
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DS_4w9gf8dxzskh_0
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VASP
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DFT-PBEsol
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Ni4
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PO_6908677699389823357290057
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DS_4w9gf8dxzskh_0
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DS_4w9gf8dxzskh_0
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VASP
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DFT-PBEsol
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DS_4w9gf8dxzskh_0
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DS_4w9gf8dxzskh_0
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PO_7420788194919422208934564
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DS_4w9gf8dxzskh_0
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DS_4w9gf8dxzskh_0
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VASP
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PO_7453711852692054987845752
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DS_4w9gf8dxzskh_0
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VASP
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Ni2Pd
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A2B
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DS_4w9gf8dxzskh_0
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VASP
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Pd4
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DS_4w9gf8dxzskh_0
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VASP
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data/MD/9495/MD_1097431422117183753669495.json
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Co20Cr20Fe20Ni20Pd20
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CoCrFeNiPd
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ABCDE
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data/MD/9495/MD_1097431422117183753669495.json
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PO_1325878182685292860281554
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| 2025-04-17T18:26:41
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DS_4w9gf8dxzskh_0
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VASP
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DFT-PBEsol
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CO_4511551283486693848891848
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Pd4
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Pd
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A
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data/MD/3563/MD_4475945042242286374963563.json
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PO_1335835492146330099521169
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| 2025-04-17T17:45:49
|
DS_4w9gf8dxzskh_0
| 1
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VASP
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DFT-PBEsol
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| 0
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CO_7433189450345033485507061
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Ni4
|
Ni
|
A
|
[
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[
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data/MD/9594/MD_9017891945241387376589594.json
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PO_7899387681184807024206618
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| 2025-04-16T21:52:07
|
DS_4w9gf8dxzskh_0
| 1
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VASP
|
DFT-PBEsol
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DS_4w9gf8dxzskh_0
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VASP
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DFT-PBEsol
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data/MD/3122/MD_9753891904360238785163122.json
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| 2025-04-16T19:57:47
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DS_4w9gf8dxzskh_0
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VASP
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DFT-PBEsol
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data/MD/9495/MD_1097431422117183753669495.json
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{"input": {"incar": {"ADDGRID": "T", "SYSTEM": "system_name", "PREC": "Accurate", "ISTART": "0", "ICHARG": "1", "LASPH": "T", "ISPIN": "2", "LORBIT": "10", "ENCUT": "550", "NELM": "100", "NELMIN": "4", "# NELMDL": "-5", "EDIFF": "1E-6", "LREAL": "F", "VOSKOWN": "1", "# GGA": "PS", "NSW": "50", "ISIF": "2", "EDIFFG": "-0.003", "IBRION": "2", "POTIM": "0.1", "ISYM": "0", "# RWIGS": "-1.00", "EMIN": "-10.00", "EMAX": "10.00", "NEDOS": "201", "ISMEAR": "1", "SIGMA": "0.2", "ALGO": "F", "LWAVE": "F", "LCHARG": "T", "LELF": "F", "LPLANE": "T", "NCORE": "16", "LSCALU": "F", "NSIM": "4", "MAGMOM": "\\"}, "kpoints": "Automatic mesh\n0\nA\n50 # RH\n", "potcars": ["PAW_PBE Pd 04Jan2005", "PAW_PBE Fe 06Sep2000", "PAW_PBE Cr_pv 02Aug2007", "PAW_PBE Ni 02Aug2007", "PAW_PBE Mn_pv 02Aug2007", "PAW_PBE Co 02Aug2007"]}, "hash": "10974314221171837536694952520855731486502241304108945080618787582552545898189791442432905945795899914215638173830390134484603661701512590021761082897114448", "id": "MD_1097431422117183753669495"}
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PO_1585495117178814429635145
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| 2025-04-16T17:54:28
|
DS_4w9gf8dxzskh_0
| 1
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VASP
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DFT-PBEsol
| -899.004161
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Co30Cr30Fe30Ni30
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CoCrFeNi
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DS_4w9gf8dxzskh_0
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DS_4w9gf8dxzskh_0
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Pd4
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Pd
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A
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DS_4w9gf8dxzskh_0
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VASP
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DS_4w9gf8dxzskh_0
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VASP
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Co25Cr25Fe25Ni25
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CoCrFeNi
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ABCD
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[
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data/MD/9495/MD_1097431422117183753669495.json
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| 2025-04-16T18:30:08
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DS_4w9gf8dxzskh_0
| 1
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VASP
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DFT-PBEsol
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Pd4
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Pd
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A
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[
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[
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46
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data/MD/3563/MD_4475945042242286374963563.json
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PO_2146716614544615988139995
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| 2025-04-16T21:43:16
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DS_4w9gf8dxzskh_0
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| 2025-04-16T18:09:37
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DS_4w9gf8dxzskh_0
| 1
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VASP
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DFT-PBEsol
| -702.513205
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data/MD/6067/MD_5440368502717962754636067.json
| null | null | null |
{"input": {"incar": {"ADDGRID": "T", "SYSTEM": "system_name", "PREC": "Accurate", "ISTART": "0", "ICHARG": "1", "LASPH": "T", "ISPIN": "2", "LORBIT": "10", "ENCUT": "550", "NELM": "100", "NELMIN": "4", "# NELMDL": "-5", "EDIFF": "1E-6", "LREAL": "F", "VOSKOWN": "1", "# GGA": "PS", "NSW": "50", "ISIF": "3", "EDIFFG": "-0.003", "IBRION": "2", "POTIM": "0.1", "ISYM": "0", "# RWIGS": "-1.00", "EMIN": "-10.00", "EMAX": "10.00", "NEDOS": "201", "ISMEAR": "1", "SIGMA": "0.2", "ALGO": "F", "LWAVE": "F", "LCHARG": "T", "LELF": "F", "LPLANE": "T", "NCORE": "16", "LSCALU": "F", "NSIM": "4", "MAGMOM": "\\"}, "kpoints": "Automatic mesh\n0\nA\n50 # RH\n", "potcars": ["PAW_PBE Pd 04Jan2005", "PAW_PBE Fe 06Sep2000", "PAW_PBE Cr_pv 02Aug2007", "PAW_PBE Ni 02Aug2007", "PAW_PBE Mn_pv 02Aug2007", "PAW_PBE Co 02Aug2007"]}, "hash": "5440368502717962754636067066412610991414866579529703984495995766932368918066069767164662009626100212924350671057531079606941517811861873650340262075479174", "id": "MD_5440368502717962754636067"}
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PO_2228937421210635131857638
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| 2025-04-16T21:51:46
|
DS_4w9gf8dxzskh_0
| 1
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VASP
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DFT-PBEsol
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data/MD/9495/MD_1097431422117183753669495.json
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| 2025-04-16T21:17:32
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DS_4w9gf8dxzskh_0
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Co25Cr25Fe25Ni25
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CoCrFeNi
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ABCD
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| 4
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data/MD/9495/MD_1097431422117183753669495.json
| null | null | null |
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| 2025-04-16T18:29:07
|
DS_4w9gf8dxzskh_0
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VASP
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DFT-PBEsol
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CoCrFeNi
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ABCD
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data/MD/9495/MD_1097431422117183753669495.json
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{"input": {"incar": {"ADDGRID": "T", "SYSTEM": "system_name", "PREC": "Accurate", "ISTART": "0", "ICHARG": "1", "LASPH": "T", "ISPIN": "2", "LORBIT": "10", "ENCUT": "550", "NELM": "100", "NELMIN": "4", "# NELMDL": "-5", "EDIFF": "1E-6", "LREAL": "F", "VOSKOWN": "1", "# GGA": "PS", "NSW": "50", "ISIF": "2", "EDIFFG": "-0.003", "IBRION": "2", "POTIM": "0.1", "ISYM": "0", "# RWIGS": "-1.00", "EMIN": "-10.00", "EMAX": "10.00", "NEDOS": "201", "ISMEAR": "1", "SIGMA": "0.2", "ALGO": "F", "LWAVE": "F", "LCHARG": "T", "LELF": "F", "LPLANE": "T", "NCORE": "16", "LSCALU": "F", "NSIM": "4", "MAGMOM": "\\"}, "kpoints": "Automatic mesh\n0\nA\n50 # RH\n", "potcars": ["PAW_PBE Pd 04Jan2005", "PAW_PBE Fe 06Sep2000", "PAW_PBE Cr_pv 02Aug2007", "PAW_PBE Ni 02Aug2007", "PAW_PBE Mn_pv 02Aug2007", "PAW_PBE Co 02Aug2007"]}, "hash": "10974314221171837536694952520855731486502241304108945080618787582552545898189791442432905945795899914215638173830390134484603661701512590021761082897114448", "id": "MD_1097431422117183753669495"}
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PO_9357207819612329902453560
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| 2025-04-16T21:27:46
|
DS_4w9gf8dxzskh_0
| 1
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VASP
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DFT-PBEsol
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data/MD/6067/MD_5440368502717962754636067.json
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DS_4w9gf8dxzskh_0
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VASP
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Co25Cr25Fe25Ni25
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CoCrFeNi
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ABCD
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[
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28,
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28,
28,
28,
28,
28,
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28,
28,
28,
28
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data/MD/9495/MD_1097431422117183753669495.json
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PO_9554972309313117178162777
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| 2025-04-16T21:52:07
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DS_4w9gf8dxzskh_0
| 1
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VASP
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DFT-PBEsol
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Pd4
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Pd
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A
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[
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[
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[
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data/MD/3563/MD_4475945042242286374963563.json
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PO_3040205932640435908015820
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| 2025-04-16T21:28:46
|
DS_4w9gf8dxzskh_0
| 1
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VASP
|
DFT-PBEsol
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[
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] |
[
true,
true,
true
] |
Ni72Pd36
|
Ni2Pd
|
A2B
|
[
"Ni",
"Pd"
] |
[
0.6666666666666666,
0.3333333333333333
] |
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] | 108
| 2
| 0
|
[
0,
0,
0
] |
[
"MRL_CoCrFeNiPd__20200313_Ni_alloys_Cij_Pd_paper_least__Ni2Pd_sqs8__y_Cij_stress_big__y_dir__y_Cij_s6__0"
] | null |
data/MD/2337/MD_5567564740972083057862337.json
| null | null | null |
{"input": {"incar": {"ADDGRID": "T", "SYSTEM": "system_name", "PREC": "Accurate", "ISTART": "0", "ICHARG": "2", "LASPH": "T", "ISPIN": "2", "LORBIT": "10", "ENCUT": "550", "NELM": "100", "NELMIN": "4", "# NELMDL": "-5", "EDIFF": "1E-6", "LREAL": "F", "VOSKOWN": "1", "# GGA": "PS", "NSW": "50", "ISIF": "2", "EDIFFG": "-0.001", "IBRION": "2", "POTIM": "0.1", "ISYM": "0", "# RWIGS": "-1.00", "EMIN": "-10.00", "EMAX": "10.00", "NEDOS": "201", "ISMEAR": "1", "SIGMA": "0.2", "ALGO": "F", "LWAVE": "F", "LCHARG": "F", "LELF": "F", "LPLANE": "T", "NCORE": "16", "LSCALU": "F", "NSIM": "4", "MAGMOM": "\\"}, "kpoints": "Automatic mesh\n0\nA\n50 # RH\n", "potcars": ["PAW_PBE Pd 04Jan2005", "PAW_PBE Ni 02Aug2007"]}, "hash": "5567564740972083057862337251146004264738712798916555376240658757688474729300349015038635282627649520823067671105417498742928824763645895532397755646288547", "id": "MD_5567564740972083057862337"}
|
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