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[
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] | false | null | null | null | null | null | 0.002358 | 0.000714 | null | CO_1286402954620619660752133 | 12864029546206196607521332396383243538291589473222421181883662287145751082923337384427525586957524079515902864412233860379688806067431196833457579898912935 | 8857399392302341778478658911248437549197094153185007894245345493706696308455425494167358112714574457880223395405622242926459213282887801102971537728640395 | [
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[
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[
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1.73832
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[
1.7991,
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true,
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] | Co34Cr34Ni40 | Co17Cr17Ni20 | A20B17C17 | [
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PO_1111954304909273703043254 | 11119543049092737030432546388838642149626380653703486200594372691572003812305632997907602388749095305755752459879484312084090042417664587071293764973198428 | 2025-04-16T17:32:57 | DS_5tegg4uvaixz_0 | 1 | VASP | DFT-PBE | -647.584518 | [
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PO_1110389873549017802163205 | 11103898735490178021632058626802299462164019244637278999524060045874179172076810656556018635112917190124896664990871868087642793965868531780306297245906853 | 2025-04-17T17:56:16 | DS_5tegg4uvaixz_0 | 1 | VASP | DFT-PBE | -780.138534 | [
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[
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] | false | null | null | null | null | null | 0.001157 | 0.000413 | null | CO_2693579513828835152074806 | 2693579513828835152074806982336597173610324056857543733081855994979301093741582665490461837120278728567212720613300697113497419472576765408749542269591950 | 1683799850597763338763750392856951269139795315854600253343811833306866473617709459129004646841776314091372587009896044017752525668053253244630459119842666 | [
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[
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... | 108 | 3 | 0 | [
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"NatComm_NiCoCr_SRO_VASP_least__20190813_NiCoCr_sqs108_no_spin__y_dir__CoNiCr_fcc3_108_40_34_34_sqs2... | null | data/MD/4494/MD_4739030531955343108834494.json | null | null | null | {"input": {"incar": "#Startparameter for this run:\n ADDGRID = T\n\n SYSTEM = system_name\n PREC = Accurate #high depends on ENAUG\n ISTART = 0 #job : 0-new 1-cont 2-samecut\n ICHARG = 2 #charge: 1-file 2-atom 10-const\n LASPH = T #aspherical contributions\n\n# ISPIN =... |
PO_1110326089309086937406899 | 11103260893090869374068999769411759500869807958119996728427532670613126503902086338908848743844116825744518514199489551752598513205306523453941758027527804 | 2025-04-16T17:11:09 | DS_5tegg4uvaixz_0 | 1 | VASP | DFT-PBE | -731.458954 | [
[
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[
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[
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[
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[
0.000229,
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[
-0... | [
[
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[
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],
[
0.0000012233357886731187,
-7.864301498612906e-7,
-0.000028024375975215833
]
] | false | null | null | null | null | null | 0.002541 | 0.000365 | null | CO_8519923457343069083633378 | 8519923457343069083633378937423960417444862245561005847931618419940879293375543266422037935018670484432648039651229780995554463900113083468269040965522250 | 9675812631972264046751811515688401040766355874124961833565662385261471740143102467409608740921519212733201466993821069273472535444057071116267147011588088 | [
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7.094541578,
-8.79117306
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[
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[
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[
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[
-10.66097,
-7.10207,
-3.54345
],
[
-8.88173,
... | [
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true,
true
] | Cr36Ni72 | CrNi2 | A2B | [
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... | 108 | 2 | 0 | [
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] | null | data/MD/0926/MD_1038879780517343181580926.json | null | null | null | {"input": {"incar": "#Startparameter for this run:\n ADDGRID = T\n\n SYSTEM = system_name\n PREC = Accurate #high depends on ENAUG\n ISTART = 0 #job : 0-new 1-cont 2-samecut\n ICHARG = 2 #charge: 1-file 2-atom 10-const\n LASPH = T #aspherical contributions\n\n# ISPIN =... |
PO_1109722176610786776664568 | 11097221766107867766645681950109650506376042557146633049973953556665013350099587127886955893014707803868724569142024760939004405641248407608653225359276346 | 2025-04-16T20:04:36 | DS_5tegg4uvaixz_0 | 1 | VASP | DFT-PBE | -730.85764 | [
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[
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[
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[
-0.... | [
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0.000008032822245011753
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[
0.00000886918446788011,
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0.000007215184549521047
],
[
0.000008032822245011753,
0.000007215184549521047,
-0.00001346917669365607
]
] | false | null | null | null | null | null | 0.001075 | 0.000381 | null | CO_5116992789385608858129756 | 5116992789385608858129756719281470210459046193778180940924378188609490572995471026929453835822542435483945406215641396359125549234886925530837177306197262 | 6169159222308710119851752094746183246468008649797863441557538172652817597772323329508722136337956953862012617510030635364335092544163682830519931869577281 | [
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[
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] | [
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[
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[
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[
-5.3291,
-7.10004,
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],
[
-5.30973,
... | [
true,
true,
true
] | Cr36Ni72 | CrNi2 | A2B | [
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0.6666666666666666
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... | 108 | 2 | 0 | [
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"NatComm_NiCoCr_SRO_VASP_least__20190604_Ni2Cr_sqs108_no_spin__y_dir__sqs_fcc2_108_72_36_sqs6_20",
"NatComm_NiCoC... | null | data/MD/0926/MD_1038879780517343181580926.json | null | null | null | {"input": {"incar": "#Startparameter for this run:\n ADDGRID = T\n\n SYSTEM = system_name\n PREC = Accurate #high depends on ENAUG\n ISTART = 0 #job : 0-new 1-cont 2-samecut\n ICHARG = 2 #charge: 1-file 2-atom 10-const\n LASPH = T #aspherical contributions\n\n# ISPIN =... |
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