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1.1573690176010132
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true,
true,
true
] | Sb2 | Sb | A | [
"Sb"
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1
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51,
51
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0,
0,
0
] | [
"Sb_iter1_1_mp-1179605_232_3"
] | null | data/MD/8121/MD_1213582242930949697188121.json | data/MD/9184/MD_5600237606314913062759184.json | null | {"materials-project-id": "mp-1179605", "temperature": 232, "hash": "5600237606314913062759184532041184930148928668298642204251091897050525900215824123586006219231748798570857753141392568500671646775355614525344529379511568", "id": "MD_5600237606314913062759184"} | {"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR": "8", "POTIM": "2", "PREC": "A", "PSTRESS": "0", "SIGMA": "0.15", "SMASS": "-1", "file-type": "INCAR"}, "hash": "12135822429309496971881212100548754870478961791137930949625877367285087883313386750731592539663054471050405358418449513543996992751906584969573924479043013", "id": "MD_1213582242930949697188121"} |
PO_1012429402025476739019303 | 10124294020254767390193031831506622052845848377174742734086633065261230558789403455620356104622749489000304374372896986471839360030375347906093775298389790 | 2025-04-16T20:52:01 | DS_z90lfjg88fzo_0 | 1 | VASP | DFT-PBE | -58.44495 | [
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true
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51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51
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0
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PO_1012500413852825857867923 | 10125004138528258578679234341058141717616700883416828916581774648111125414496016662985939627232861717934111500848983671170183791109727095248149729451516063 | 2025-04-16T16:08:33 | DS_z90lfjg88fzo_0 | 1 | VASP | DFT-PBE | -32.401165 | [
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2.36788010597229,
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] | true | null | null | null | null | null | 0.437722 | 0.296572 | null | CO_2467692265623932494340066 | 2467692265623932494340066946114639334972166537842649775235908619762161069201859976936691332164991409760457680515716559947754430274500362358696051161476184 | 11512555565302498231046132274251535270072837093355298969529257901620912921559807393331595402169077357640417598619215308127928004363024041264521858821047184 | [
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5.807353973388672,
3.0952138900756836,
3.1644160747528076
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[... | [
true,
true,
true
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1
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51,
51,
51,
51,
51,
51,
51,
51
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0,
0
] | [
"Sb_iter2_2_mp-133_elastic_B222_dist03_10_232_0"
] | null | data/MD/8121/MD_1213582242930949697188121.json | data/MD/6872/MD_9890234894463978372076872.json | null | {"materials-project-id": "mp-133", "temperature": 232, "hash": "9890234894463978372076872985965940430664548332898370771677914748458157419005037571221696658115707970098169119329892436141011636208320548251984290042426968", "id": "MD_9890234894463978372076872"} | {"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR": "8", "POTIM": "2", "PREC": "A", "PSTRESS": "0", "SIGMA": "0.15", "SMASS": "-1", "file-type": "INCAR"}, "hash": "12135822429309496971881212100548754870478961791137930949625877367285087883313386750731592539663054471050405358418449513543996992751906584969573924479043013", "id": "MD_1213582242930949697188121"} |
PO_1012555208283159170911535 | 10125552082831591709115351724967962178080005323654551566546901173133352103023066029491972817716508997761171549225760473271403038754637910702438650691531709 | 2025-04-16T17:18:18 | DS_z90lfjg88fzo_0 | 1 | VASP | DFT-PBE | -116.77594 | [
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-6.39... | [
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[
4.7909159660339355,
0,
4.7909159660339355
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[
4.790915966033935... | [
true,
true,
true
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"Sb"
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1
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51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51
] | 32 | 1 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/8121/MD_1213582242930949697188121.json | data/MD/8258/MD_1271418612909851697008258.json | null | {"materials-project-id": "mp-10630", "hash": "12714186129098516970082589363733719283610698297055881320123986092606121232480198725660362258267884797553420912151004146733397963912425401767005473320979214", "id": "MD_1271418612909851697008258"} | {"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR": "8", "POTIM": "2", "PREC": "A", "PSTRESS": "0", "SIGMA": "0.15", "SMASS": "-1", "file-type": "INCAR"}, "hash": "12135822429309496971881212100548754870478961791137930949625877367285087883313386750731592539663054471050405358418449513543996992751906584969573924479043013", "id": "MD_1213582242930949697188121"} |
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