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PO_6230843262284900731340513 | 6230843262284900731340513700823206400584383004012303999017833630088131611514159473607458258833504870344899653236607533778499099839520518387195405538095352 | 2025-04-16T18:54:19 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,388.100479 | [
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PO_1178382230950074257025548 | 11783822309500742570255480424143736369498179881601579072536821466629359344544104386332995655264018068530898326553449637201343904406497519755982202886786576 | 2025-04-16T21:37:22 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.891483 | [
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PO_1178283109897096842525077 | 11782831098970968425250776692492070393590186719468949849620503378916490645557358813505822492030054795175179704126654764104786461165068512121074992221245575 | 2025-04-17T18:16:17 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.902495 | [
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PO_1180694409765010450766475 | 11806944097650104507664756735073160217054902105997841493312188553595714567244109416121869731464421910713690262793505507721963382484680110045027305844845440 | 2025-04-16T15:41:31 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.124909 | [
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PO_1181713875134410748314678 | 11817138751344107483146787159055238361626292245209013914341294501867139688674154478701892091756633621739265256285607982835189087369007850370913004876381832 | 2025-04-16T18:47:30 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.33923 | [
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PO_1182022545731927617327901 | 1182022545731927617327901195451351235558441526136503670251669759106271234887362349167725682692789912397874145550146268811060569352369883914029157002249784 | 2025-04-16T17:54:52 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.939712 | [
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PO_1195837183921531245333225 | 11958371839215312453332253989244493582712798508841411289581615133408138343760455432015612684466639101707151363238076297088568670752232437757515780037102114 | 2025-04-16T18:30:57 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.849759 | [
[
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[
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[
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[
0.00... | [] | null | null | null | null | null | null | 0.193158 | 0.016549 | null | CO_6084071175293544560470345 | 6084071175293544560470345061862251306186151654737771838715165765618402191472242183136086061398645913975328447942879365797938559457431091722629413808750581 | 2410605882934451226296556936150719409102212218199405641389484192177205519651951461232185596485146312571553133981000726729667422958942311491257854677718390 | [
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PO_1197098044289778353210518 | 11970980442897783532105181422696983483011139645231619269076290118405581996699570107830330067265483771251537862075746248838236198150002532236458239940959594 | 2025-04-16T18:36:02 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.836111 | [
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[
... | [] | null | null | null | null | null | null | 0.12897 | 0.00821 | null | CO_1052409190740222538447249 | 10524091907402225384472496072233893225459760967235857563603718343689426140340417294049908743394915895565251085552197352251333142501432616154717329064634924 | 13178019206586705199898002139748753943843648483440764475404769697535853977564183555268358874026566849483054989426798603873602821436166015630524284508348002 | [
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1... | [
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2... | 169 | 3 | 0 | [
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PO_1194153582053042023816425 | 11941535820530420238164253118403186484766571645373737453650155617351154534093088180336755092164019734799563301004668838176668868543243681508557054050654052 | 2025-04-16T16:03:23 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,387.786182 | [
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[
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[
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... | [
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] | Li55O96Ti40 | Li55O96Ti40 | A96B55C40 | [
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"Ti"
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... | 191 | 3 | 0 | [
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] | null | data/MD/3308/MD_2448217553659988427023308.json | null | null | null | {"input": {"incar": {"ALGO": "Fast", "EDIFF": "1e-05", "EDIFFG": "-0.05", "ENCUT": "520", "FDSTEP": "0.005", "IBRION": "3", "ICHARG": "2", "ILBFGSMEM": "20", "IMAGES": "7", "INVCURV": "0.01", "IOPT": "1", "ISIF": "2", "ISMEAR": "0", "ISPIN": "2", "ISYM": "0", "LAUTOSCALE": "True", "LCHARG": "False", "LCLIMB": "False", ... |
PO_1194596518137701670405336 | 11945965181377016704053362697160532136137708751423876180795711106211686981754633356275618969668043659452205716458170652375595808408606286300724793658286001 | 2025-04-16T22:03:29 | DS_0pv4lpmx2ov3_0 | 1 | VASP | DFT-PBE | -1,311.862999 | [
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[
0.... | [] | null | null | null | null | null | null | 1.053657 | 0.042964 | null | CO_1115410118704820623979170 | 11154101187048206239791707234384730884842551938084182221258347930052592035616706708462061116498173791685906740343322033213224246710425449917577942926430366 | 11539976656820497447981427743866361560361004015139450324202802703575044682067188833962385499812935238524339079761499228244242689027189394866566191154668317 | [
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[
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[
2.93868,
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[
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10.31... | [
true,
true,
true
] | Li33O96Ti40 | Li33O96Ti40 | A96B40C33 | [
"Li",
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2... | 169 | 3 | 0 | [
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"NEB_Li4+x__neb_hop_5__05_2"
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