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PO_4610961827634221702325795 | 461096182763422170232579522259275764358406168168198280946782877835028034116947705799109870955428851104693685013086874328392635581133129661243713645255089 | 2025-04-16T18:54:39 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -126.980209 | [
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PO_4613876745381205520366804 | 4613876745381205520366804718321083911890876205954355881753673516196302450236195831873631564140411882482927906290166423787855488189389101248580200239845359 | 2025-04-16T18:31:06 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -123.282524 | [
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PO_4616922278840163202805346 | 4616922278840163202805346882069290127304561443610167723960486987340108012747508583717598535081089274275322482533783297831329226011355958000737562593787255 | 2025-04-16T21:52:07 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -237.522034 | [
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PO_4616904010410912271998465 | 4616904010410912271998465248877041201745411381142843681041381556775122297490941067666135082667047456928058252498578844015166635616100892485667599680472441 | 2025-04-16T20:38:41 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -121.371353 | [
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PO_4621404596907878046545071 | 462140459690787804654507160846974073032028018693051765584620090865390121440860478737132492620761386073558874332925845907305498796586559184040174868728072 | 2025-04-16T21:23:51 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -207.365463 | [
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PO_4644742669669433951122614 | 4644742669669433951122614994237093613888931375367139833012319835144004314041547921710488660161628219269875318103951241783128742864186544613815367635209654 | 2025-04-16T16:50:24 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -121.331184 | [
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PO_4645343006757421158525484 | 4645343006757421158525484662158387471308185798482366189239502118313401968820416923995369791970168731074252971018139343982945699980148332668174143481870668 | 2025-04-16T16:55:35 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -109.234093 | [
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PO_4650799306103929015903315 | 4650799306103929015903315648322080050085752580861033021242854331671309389937403867691044284563534996252471485026781823137828603870004310576134871253690073 | 2025-04-16T18:12:40 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -238.428833 | [
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PO_4656303370954509093003693 | 4656303370954509093003693553095400579879788936916331079685867084237678057156350677153049607924544546340145249607171686063623925184808058782778291627311393 | 2025-04-16T16:56:16 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -124.226082 | [
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PO_1061947741229076105169915 | 10619477412290761051699158309926323964574737612956425812921485336060635754110235621296995546969744502435943355604291417010326789123023246577627987014322159 | 2025-04-16T16:45:11 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -171.012283 | [
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PO_1020097297844876314429653 | 10200972978448763144296530015521366068751997966595781619626959343062829670417523589550899804448928008367487747297891875076601190751105024810641891605638 | 2025-04-16T18:29:46 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -376.498627 | [
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PO_1061923740154760585324089 | 10619237401547605853240894520715417794662627845392715899894530080645723264072736452752037323632518777935741357920083539000177072465721989265653162627815040 | 2025-04-16T21:29:37 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -465.791931 | [
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PO_1061761813265846084562855 | 10617618132658460845628550080749248028245980190667922697264953905052600339360849146072730390833800303244931434029692559424337629869392404094111743029626075 | 2025-04-16T20:58:52 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -168.248886 | [
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PO_1060769016489790366309455 | 10607690164897903663094557675062801263831275330988440854236011974257642650249922362373500997481897158250843861980011526741925169677969594404736116029272357 | 2025-04-16T15:44:09 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -121.954834 | [
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PO_1060681135444399713860392 | 10606811354443997138603927939212106223183490844532773512431297090100646153350930016075956922840013454245391781879866164019497015297539718091979113561841473 | 2025-04-16T17:54:22 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -57.541107 | [
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PO_1060650062712597300610411 | 10606500627125973006104115340985907414453686687844666446284148856110428112207900888328923634131428065699941512832063151480003692530537348073006968965145665 | 2025-04-16T21:29:37 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -111.684502 | [
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PO_1060187106878733202909574 | 10601871068787332029095742282697953298324696268855502381410707450588667761637107160460547417585787913790006302033326080032357094151560799518404221020763760 | 2025-04-16T18:43:26 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -183.014313 | [
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PO_1060368110043104747984814 | 10603681100431047479848141506706995155674501399231004378606409699365748542055496949437938599033970925574380688708015261183737072823586322135262289178233224 | 2025-04-16T18:42:12 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -117.46653 | [
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PO_1060373184150049976935431 | 10603731841500499769354310840003135892537222178215384776520250087286822531689013150814863615938595941619791270046124735022965565192255972581458686498212346 | 2025-04-16T16:55:24 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -427.206207 | [
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PO_1019699966901922318893351 | 10196999669019223188933511666117278962238220688994836207615592152950547620702563584021261932053641518119781350216902735801877375223112304855866547514231781 | 2025-04-16T18:23:00 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -121.071007 | [
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PO_1020514075976197775271827 | 10205140759761977752718275266075160360064319191951745699600734127598536906121800079062619299276872916750758850267174416542486608544441923337632478716434383 | 2025-04-16T17:31:22 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -169.100357 | [
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PO_4658487792595929799933825 | 4658487792595929799933825085173391232466283807867595399257509880185006843541143804527787125595200856990799087669543628947449580457239325618489020218360902 | 2025-04-16T15:44:44 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -126.385818 | [
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PO_4658969106163068405279630 | 4658969106163068405279630149704300930021543101962701661122470852174018446730495763792443883201722248677970454085100653746810632275053913469093633583151794 | 2025-04-16T18:59:47 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -125.738312 | [
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PO_4665625252937793925960014 | 4665625252937793925960014971284101546974768279749683235789677729353311639193590471734459556637673929735383128579265106247921490781326940927460277225039956 | 2025-04-17T18:48:22 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -126.252296 | [
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PO_4667621110542784882507085 | 4667621110542784882507085546195906720281175205856930588907935380670053681460568199335374153888852393586309082910773393195518923461061974474411133884675351 | 2025-04-16T21:57:13 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -373.947357 | [
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PO_4661646403847341755915759 | 4661646403847341755915759989387348146602279011312213601092020740711555050000210678847020907270167995958852673489610959120256622515806392602279433123208421 | 2025-04-16T19:03:57 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -232.798355 | [
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PO_4668225152315078437959944 | 4668225152315078437959944659290462021642372167976859325761016451071834507978395190434275228170147046820205519757240736885876759240807404695531794416832776 | 2025-04-16T17:41:42 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -231.976013 | [
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PO_4674423417647422857328762 | 4674423417647422857328762650101856770250159040844885415293110352566838016013855229221525990376567187673516803476897705092251494905120027794495166358088941 | 2025-04-16T21:43:25 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -197.977356 | [
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[
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PO_4673773856348705716238469 | 4673773856348705716238469955122861586872558340714871740180832380035522200406327967037234556383481746948713137393051268510607167056393894492672722509693322 | 2025-04-16T17:13:10 | DS_ofpcyxez6xsc_0 | 8 | VASP | DFT-PBE | -200.388184 | [
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[
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... | null | data/MD/8121/MD_1213582242930949697188121.json | data/MD/2050/MD_5225840880282402619132050.json | null | {"materials-project-id": "mp-6985", "hash": "522584088028240261913205064574145316599923678675683686889772256210777423214434605891144523473438836698357678488674921271591757568453945940785668150288367", "id": "MD_5225840880282402619132050"} | {"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... |
PO_4675438885478962310430895 | 4675438885478962310430895428008748881330918972524448038070049472778970079714806662624312173233666722818880904674808108374457438243503160413769036285977473 | 2025-04-16T21:13:01 | DS_ofpcyxez6xsc_0 | 1 | VASP | DFT-PBE | -116.963264 | [
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