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PO_5295086239213042860972082 | 5295086239213042860972082112373953074305034314508483869161804697796939162668347454273669196540578417429145043311314174444051068944313453939989955618033279 | 2025-04-16T20:51:24 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,388.346809 | [
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PO_1093946869129780774551665 | 10939468691297807745516658038874364751142618413496384011502462069091742102813131116895833354599710367537323439117694789752828379644900196243851342647594631 | 2025-04-16T21:17:28 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,339.372055 | [
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PO_5532984572352607709904788 | 5532984572352607709904788298968290967185200601357906835101545876679265355005896804802818218495937732390656525294121774465985566122851966568350476998216123 | 2025-04-16T21:40:11 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,388.133681 | [
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PO_5539870891198979318905117 | 5539870891198979318905117040580473161744745332354186186407034008198584888434775845753842536569449540627477929299153930849130939509863577313229116857324166 | 2025-04-16T20:58:52 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.810469 | [
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PO_5551423534831505397460433 | 5551423534831505397460433868247384084705472433972456508182698157578095804240917475452227936510721162327373732261681935222537295140004642331361086642184071 | 2025-04-16T17:03:28 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,367.7094 | [
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PO_1124114062649386009012200 | 11241140626493860090122009212193605062388340005766387956975351537798124136791405279279611003947404366402151438889092493114411874360470291925918172320794794 | 2025-04-16T21:30:02 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.946069 | [
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PO_5775844757530157547216643 | 5775844757530157547216643314748815986288097345406699750551518040506737234131112771897285451329170982652068114956446985660351156270868156254613482920016226 | 2025-04-16T21:13:01 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.765435 | [
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PO_1129708193561754309426144 | 1129708193561754309426144261792104829694208643887484715444626572461391382079507606092196545564957562576357611863012333947010376529227626506726294352458929 | 2025-04-16T16:49:28 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.901459 | [
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PO_5848854873365711121077758 | 5848854873365711121077758861203561852395603649523178996278889611820084345133012634019705066513912298440982294884319955327176097314258189192630557393013000 | 2025-04-16T22:04:30 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.933977 | [
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PO_5851132565514777778855104 | 5851132565514777778855104953936575762606884504780851668667475863303519024821934538081102793902542088266774350253622299716729241103835770240267023931265955 | 2025-04-16T17:07:30 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.902422 | [
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PO_1136139554355948547519186 | 11361395543559485475191869325798136990836416424988209121006184391903207671780502639678993792374372719318337028681814886503001665262333988334554042219118369 | 2025-04-16T21:09:01 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.825493 | [
[
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[
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[
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[
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PO_1137422706093905843624458 | 11374227060939058436244583009104201778221260021596795800776856743537368373688100668040182025035517703326851152440932796953498197264055990013034490214767955 | 2025-04-16T20:04:32 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,339.346365 | [
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[
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[
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... | [
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true
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PO_1137199029864987583913306 | 1137199029864987583913306435578060103191394861555804723901660618193843497356256087364282275288816421169109075667861989652361850540157091046918538247746811 | 2025-04-16T18:44:19 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,388.327561 | [
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[
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],
[
0.0... | [] | null | null | null | null | null | null | 0.061741 | 0.022618 | null | CO_4879988216278534659934472 | 4879988216278534659934472011054607187956760721610386707314448270759543803519071472251831401764172953009122177466982483203120907287719299791698425750861236 | 1272793692055696023052063937683547979878681932118505102244840246842612132200043367685426768281194008231379669961962299047550217386094704371198196540386546 | [
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... | [
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true
] | Li55O96Ti40 | Li55O96Ti40 | A96B55C40 | [
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... | 191 | 3 | 0 | [
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] | null | data/MD/2607/MD_4856916884757206271562607.json | null | null | null | {"input": {"incar": {"ALGO": "Fast", "AMIN": "0.01", "AMIX": "0.2", "AMIX_MAG": "0.8", "BMIX": "0.0001", "BMIX_MAG": "0.0001", "EDIFF": "1e-06", "EDIFFG": "-0.02", "ENCUT": "520", "GGA": "Pe", "IBRION": "2", "ICHARG": "2", "ISIF": "3", "ISMEAR": "0", "ISPIN": "2", "ISTART": "0", "ISYM": "0", "LASPH": "True", "LCHARG": ... |
PO_1138243376359401343847069 | 11382433763594013438470692295325233678446378415082194562388758402419904716576967903209117916091698087328983705273245099916563663672510137969024424515058078 | 2025-04-16T15:44:12 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.91169 | [
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[
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[
-0.0... | [] | null | null | null | null | null | null | 0.074294 | 0.005122 | null | CO_7143376044239196523246443 | 7143376044239196523246443081631045308943445673035926254421100681074874564285660327519555993688096264509932790728135815333979607509332469289494279710675606 | 9091012646093138022349392361944323437037449747154186848050517654615530856294701230700473214649170979960419451199563980023530660781141150406419790216408529 | [
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[
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[
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[
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[
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10... | [
true,
true,
true
] | Li33O96Ti40 | Li33O96Ti40 | A96B40C33 | [
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2... | 169 | 3 | 0 | [
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] | [
"NEB_Li4+x__neb_hop_1__03_13"
] | null | data/MD/1356/MD_4590661553078621319071356.json | null | null | null | {"input": {"incar": {"ALGO": "Fast", "EDIFF": "1e-05", "EDIFFG": "-0.03", "ENCUT": "520", "FDSTEP": "0.005", "IBRION": "3", "ICHARG": "2", "ILBFGSMEM": "20", "IMAGES": "3", "INVCURV": "0.01", "IOPT": "1", "ISIF": "2", "ISMEAR": "0", "ISPIN": "2", "ISYM": "0", "LASPH": "True", "LAUTOSCALE": "True", "LCHARG": "False", "L... |
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