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"init.003_set.000_80"
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PO_4463221409592668506797386 | 4463221409592668506797386109681766033235279380310911440881732649303831846315922581758995202649377404619142733301872337655094261291292581383471125028132799 | 2025-04-16T19:57:31 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.631653 | [
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PO_4463966530282361996454386 | 4463966530282361996454386984918148461325340656571787316402226556811521588155317249085465650916157434534863103314050004568284394359316202922355939357888263 | 2025-04-16T16:07:22 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.850533 | [
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PO_4469213893623516204027069 | 4469213893623516204027069771993877928748866782745900192228309040768910497428112457521772103069292342884109297451048870000812679528707618207793545741770163 | 2025-04-16T15:14:05 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -101.296318 | [
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[... | [
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PO_4464793914887204850042588 | 4464793914887204850042588126222952789138354507904547812386744401332887303650962528035747521728141458979845848245874735960261561385113529716780493419821782 | 2025-04-16T17:42:42 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.42598 | [
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PO_4464427570817125264272567 | 4464427570817125264272567119681396282985258708463128816433399152172597204040471107936978772069904319238273068197639091335980331397995119082258982866601777 | 2025-04-16T16:55:31 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.422241 | [
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PO_4471888897673940960072517 | 4471888897673940960072517831743951634624453051401409759737251429720234444853296466366063087902124464285200832654908909536903133446097462878031658836108745 | 2025-04-16T21:38:17 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -18.093737 | [
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[... | [
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0.6
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PO_4472349358806168070944664 | 4472349358806168070944664871227608409914492838087824735647783742353133755550237146508576236915082884014007794878973112274810512913625405414345408119262961 | 2025-04-16T16:52:26 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.35968 | [
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PO_1050128086310925864223121 | 10501280863109258642231214316069495360471902155677512530866243362142605867244599478194185523732579702944066828899133947102079709671369250086926566507504552 | 2025-04-16T16:10:07 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.60144 | [
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PO_1050859976722312934814299 | 10508599767223129348142994520051060093443343096710080136855788010890391232829822055044810925188701131128196368795344094378604246894170366800903150851411630 | 2025-04-16T21:44:51 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -64.726395 | [
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PO_1051033237366671523035396 | 10510332373666715230353966757371273115760746202293328436292031892252878601605501940089887390477264914618980059997588726378480214541270386639839867946651676 | 2025-04-17T17:35:57 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -68.211769 | [
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PO_1014892053191281405374073 | 10148920531912814053740735413160145945315681361934517051877228655747503893967737281587994339999187460257996056463118929223668708399044352410547280447697612 | 2025-04-16T15:43:51 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.836555 | [
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PO_1014859989505710011414122 | 10148599895057100114141227913335819347943562645801185651999486491053071189161932786545116754925617154967591291217042571819570568140234783418127645348930936 | 2025-04-16T17:30:41 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -101.178825 | [
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PO_1014833741803299624036801 | 10148337418032996240368014221320069439695364233289468174384236041298356561551709970039461592583041942640569018726949180500145244025628673018828362253620775 | 2025-04-16T21:13:40 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.838539 | [
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PO_4495740226625671884628000 | 4495740226625671884628000982337848045577281679158310190466084574311143225769929687647609150522829509736640034560731283777874708856851667162121179358850240 | 2025-04-16T20:10:51 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -70.608925 | [
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PO_4502208037208479816993092 | 4502208037208479816993092122130699658261451433449252674500800592147439164431396755985064151161147135782639772613112291439296751118705338862505337519284790 | 2025-04-16T17:29:43 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.080093 | [
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PO_4504393278878336562867159 | 450439327887833656286715941910692989614607493404385812450536528216534931155160880242554160256525232622484323362018708671687573915143781185433566871740169 | 2025-04-16T21:21:56 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -68.532097 | [
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PO_4523448516254203978502666 | 4523448516254203978502666716424099639373073137049779176248246178831497598567241750348866725576912062863162678586120661876192830923443283746458536073065236 | 2025-04-16T16:10:07 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -70.839378 | [
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PO_4523748609030112465174174 | 4523748609030112465174174949286107732500364246681369759906720171565992650300200470068196461964795489616168674934890921985230565775444364050689054863513934 | 2025-04-16T16:10:20 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.454948 | [
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PO_4529682741753589124079949 | 4529682741753589124079949573597745824309872140486632261450851270649567731140439228304020860246654058867913718029376679278117071823782923219654191562318047 | 2025-04-16T21:04:14 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -68.719925 | [
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PO_4529080115027969962132658 | 4529080115027969962132658824016282929822001669404780008569747791303636956072406527890725428514916470389036781690194060549232972397220584552287010297710511 | 2025-04-16T17:28:31 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -70.967148 | [
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PO_4528691618151717059855073 | 4528691618151717059855073071891837560975157025095664480636452691948068344767229118377304707627764899120081304727133461620391636858942398928623877866503539 | 2025-04-16T15:14:02 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -65.415489 | [
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PO_4528931771354120802667856 | 45289317713541208026678562827322066916624257065418622258266772495567587164784279340746167717642224977402741175173047012630047304430572686497528038512009 | 2025-04-16T21:43:16 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -97.462738 | [
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PO_4526405673575551184884774 | 4526405673575551184884774178227319053415597786263957602090729742754975822205487870728273742882524758002046610380650562802329220809723832944413742962032517 | 2025-04-16T16:06:20 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.754524 | [
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PO_4527372994703832463183100 | 4527372994703832463183100197358035540249402088365782784370077735709373271732559205646471357145065336778613683309254936672184292191083219397470959161303870 | 2025-04-16T18:09:42 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -100.064018 | [
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PO_1050228040158995558233983 | 105022804015899555823398360629606487766305678374533876970075126145297960679961908844913762696442977826473969837808926246546123719064651036505168562762264 | 2025-04-16T17:45:47 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -64.79422 | [
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PO_1050404383354870566096415 | 10504043833548705660964155820544754597603352494093121784958711512996912884997944261133856208954962917426085948768415224459646706365331032213413675684625219 | 2025-04-16T17:03:14 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -64.990219 | [
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PO_1051510085878989796304679 | 10515100858789897963046799539113004263264938914122772743309463600934954257185718326299199860266491971780778396414021774687305898319240601462700335536703596 | 2025-04-16T16:09:52 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -103.11544 | [
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PO_1051525406292769754562878 | 1051525406292769754562878631577611213575581600760504416520426750595138561452405721113241944541493584966854414825525009152528899150245346103370059665223078 | 2025-04-16T18:06:12 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -99.036285 | [
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PO_1050543906856505045720649 | 10505439068565050457206490606726934394985210472319210986660446040813318852279843582575459644669836083677743442155984622434683251748789142829792770646980684 | 2025-04-16T21:23:51 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -69.492462 | [
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PO_1050520629678677880681552 | 10505206296786778806815525108521943419197298285274655931151063745026746551939524256764539257531711006857269557042344614729307645591998472528210198221997803 | 2025-04-16T18:08:39 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.132652 | [
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PO_1013906383497752555194625 | 10139063834977525551946256700816297210090472875784148492418591958808400156260125164175114170903251806806180201875795165348087393266617802320706191791143500 | 2025-04-16T21:22:14 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.719078 | [
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PO_1014012564251613443439277 | 10140125642516134434392775184258762118852128973733596621940313317091917858574210078445807342287174696596879986690590591899949177766131271165339509154869710 | 2025-04-16T17:18:49 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.591202 | [
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PO_1014021663209917942854392 | 10140216632099179428543922295060846708488875507527462928496621376551578162585638963542287780172258058545082174350289775382854089584264307823823778939630507 | 2025-04-16T17:27:48 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -65.402054 | [
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PO_1014035037232037589642476 | 10140350372320375896424769695032595996028396716951503449766652246592588605247182013437050662126971186598672056617444646396998301373999440758423965040796521 | 2025-04-16T15:42:34 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -67.672165 | [
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PO_1014367662833079772391459 | 1014367662833079772391459764663304804319927206022424549496539562086126358558357602065912263733408080567860785363660786919247999992431166223226960305284452 | 2025-04-16T18:09:42 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.366776 | [
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PO_1014374271954878109129873 | 10143742719548781091298739776398236083291558630709775775160024790634042211775264622424230219313755401456504772504261053462426371307201289288216382211414530 | 2025-04-16T17:54:28 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.48468 | [
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PO_1014325620202119814171422 | 10143256202021198141714227236187710643247596302491794011908819438569714842529065827188969786195626534546006064566569122895326825640758871582185275601720016 | 2025-04-16T21:22:40 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.255928 | [
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PO_1014492726954473926171746 | 10144927269544739261717469062146213809033051282204848558093260209990658941877338052974274921287060873117598813535342154611036027283117135166235089652470192 | 2025-04-16T18:56:50 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -18.078022 | [
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PO_1051339863614393552638113 | 10513398636143935526381133506828436047103611289740455284552659759544864032217818626266654463261806449789895843099497325992005368077648079708565461180554564 | 2025-04-16T20:56:28 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -18.111893 | [
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PO_1051340184299466208173652 | 10513401842994662081736524107917240514491172061561095513076370961315421479595141693729449578291327332695198455267909516098825062517908488816262220118505474 | 2025-04-16T18:41:17 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -65.230392 | [
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PO_1051335537654564425677501 | 10513355376545644256775012512633592121739368052547601888255339980781573673136749233960536036206952345660840375283229049651338191449162854624094079634780759 | 2025-04-16T21:27:46 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -100.431229 | [
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PO_1051491397928233610265632 | 10514913979282336102656329026884079525648874700889360610672595424670665028925342494959459338306900389677764986478877108382164215576672471372903665801676712 | 2025-04-16T21:57:13 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -68.538002 | [
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PO_4484505214625770927709930 | 4484505214625770927709930150189078522684753074724730105288603157070570662430595094847249918084952813479429844106539776764089278677402152084493365480033126 | 2025-04-16T20:19:02 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -64.986526 | [
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PO_4484831334226470263872289 | 4484831334226470263872289662958402767573644697769395217370618777579875008196092057575790298620820068575177868741215340819562300729390975206279546282651618 | 2025-04-16T21:14:40 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -101.595154 | [
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PO_4492091460175369880509321 | 4492091460175369880509321346393477256199643128287660494508023521991586251066110646727095741252456503209336944490591965415437589954658825440099809143151245 | 2025-04-16T17:48:31 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.230461 | [
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PO_4492586706446696403393204 | 449258670644669640339320405855141675661249071779449082325268846858686134363730233098190271671077417221709419489171264879308522798736975901603086935843812 | 2025-04-16T21:56:50 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -70.781799 | [
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PO_4492166117383676449851166 | 4492166117383676449851166225802730429520442898369587805874089933628680466696592775335581391033770317476702102990389951321443032471962703253861746898147143 | 2025-04-16T16:45:47 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.565186 | [
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PO_4498218392906158490252791 | 4498218392906158490252791305814482402606141484516664880039350926295715899394769756679244244039548861002384120167783830217318650363432970945655001320907414 | 2025-04-16T17:29:43 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -67.979332 | [
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PO_4497209719436407899730637 | 4497209719436407899730637138004745402859377251125737972884886549071181934735385294829727705936223920549946326245917387022239090842689515022671541410048502 | 2025-04-16T19:03:57 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.847168 | [
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PO_4496972748150788967811517 | 4496972748150788967811517841464492923248237045520431055430414338605024619390681948957512176213915826583719868592013708326242069610862384671604208880867974 | 2025-04-16T16:33:13 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.398109 | [
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PO_4500609381415082941971191 | 4500609381415082941971191861896138407079916746250385910677762549816057099352744219243559752050792048164095284221347369985140029860144753617818282682908192 | 2025-04-16T21:13:40 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -67.659843 | [
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PO_1013172105225779475328045 | 10131721052257794753280453249501166625344885298913010821019254715825082301268846091317716939256218450883065768876327883252448275117340297184732735787176435 | 2025-04-16T17:56:02 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.588852 | [
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PO_1013390519962548951787714 | 10133905199625489517877142414491332139682808877812780382434873658051108104253412156760664062015850256529016046603295230214708726902449418234187443035923438 | 2025-04-16T18:47:00 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -18.103907 | [
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PO_1013417570200374465798030 | 10134175702003744657980305075210115938600127046045357951037952341092206491435068316532935428659994171449145810623761586662540186057884326103266050186847209 | 2025-04-17T17:45:49 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -68.806351 | [
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PO_1013440040077568881006116 | 10134400400775688810061161392372181282439615183140711651753224123448981928239156290987569047146402367616489617056152675421529280498661574188901245588532773 | 2025-04-16T18:43:09 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -67.144997 | [
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PO_1013430860314642868489370 | 10134308603146428684893708993182766125650365968388231659165545545211905894484154865989497797800372093584827270957609614011530124450486155146314407501283249 | 2025-04-16T20:43:06 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -72.234505 | [
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PO_1013446862443748866756537 | 101344686244374886675653725091787027136580473890039406888933193231480539873231221590670654440591192400394290821956533263039790831458988501054714576230639 | 2025-04-16T18:42:12 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -70.933571 | [
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PO_1013549035315141320457615 | 10135490353151413204576159715636177105182975621194562449469291080405645619839294792258019039267752756367691225805403139879641186073425903436447273107971331 | 2025-04-16T16:54:28 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.705109 | [
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PO_1013514178924975923731509 | 10135141789249759237315090118905077170738694305972354746710580760468991078459212709210677744242978808538512564871775530820546925050395883114452511578526934 | 2025-04-16T21:57:13 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.07238 | [
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PO_1013561689129403862976716 | 10135616891294038629767169387532031895287276449898374539094793371691658737387251532752411570787191277563230846063248865227462351682013346363795899393054560 | 2025-04-16T16:09:52 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.180367 | [
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PO_1013791395188785124495261 | 10137913951887851244952619161711640167912627781465269993012564848812897444416882471257781351756666018802165958830941690712975830823530761034983349306983600 | 2025-04-16T19:56:50 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -65.749283 | [
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PO_1013772631789505202996502 | 10137726317895052029965024173718417208968236441396144598001572959198795784886215869681271074581927022171463282049006619743356374973426834701137368962030771 | 2025-04-16T20:42:25 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.17881 | [
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PO_1013882064988073111480440 | 10138820649880731114804401568471888677174474370868697887450583184753008108829003655822087582563234644498984035203821030136983803045995816978976948602979498 | 2025-04-16T17:29:43 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.354828 | [
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PO_4483523773674583832252371 | 448352377367458383225237110367723561496938843834387252116841576246180496323416616217615337810770107407036634037687410760826085070992672828780355930010013 | 2025-04-16T21:14:40 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.667572 | [
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"data.103_set.000_29"
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PO_4488201228130565857765631 | 448820122813056585776563123291184886302375569121986276971833992098965180147273580217764533176431643110290843271047836285014709575613195569804524402534897 | 2025-04-16T16:30:10 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -68.174881 | [
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PO_4485961724595159361675515 | 4485961724595159361675515682665055395946418597823960824325171405076106450246423798975748750009817479611338615610497010555969362166115151311954215742288962 | 2025-04-16T18:09:08 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -103.494835 | [
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PO_4482992847161634601841683 | 4482992847161634601841683207109308233983330278052108752396007490532322320926484676429094376606759300278028673441889299474757105252570641390483707036811158 | 2025-04-16T20:24:05 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.646095 | [
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PO_4489737362877398633427300 | 4489737362877398633427300876271201339033362460766082080381517624904198096092505511038145618819595424227192685439235460975039171498580776752314978161031925 | 2025-04-16T16:00:45 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -70.093033 | [
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[... | [
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PO_4489144037682459422709393 | 4489144037682459422709393381478287874628234671591171639790828496049892569144329781580922983645187179801808668127521408406303361589225593755834790287623846 | 2025-04-16T17:47:40 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.697922 | [
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PO_4487042516074867797794614 | 4487042516074867797794614786702830949270943838448785129213496703108494574328712897925015989208840721096735161973603355105077829118940190125124331223652215 | 2025-04-16T16:30:52 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.758034 | [
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PO_4487777192555175671007355 | 4487777192555175671007355706304868493333161034375720256481143702656328804277385695400793080560304361061799954579176375444219321963236201289674864696783025 | 2025-04-16T15:44:09 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.106346 | [
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PO_4475438319930174142882199 | 4475438319930174142882199577671755506112308603237700163205049816340798409032032057710939422223447170704426615889556249690284339793894308787070833777702917 | 2025-04-16T17:11:24 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.543007 | [
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PO_4475796748836296011009388 | 4475796748836296011009388733379236442566212197054088227843574150917274486330912238166574246797040178384552054099591867849749284861414972482433357295159130 | 2025-04-16T17:55:48 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -69.459991 | [
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PO_4474582801544410870599574 | 4474582801544410870599574575030218549092039385441657797547004967555004865803859398674945276751011853382838475336158759444951799513658235131349463857718800 | 2025-04-16T17:26:47 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -65.448555 | [
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PO_4478914284362029915551655 | 4478914284362029915551655285247714801215021676240724127607185473052796560531456322021390587962908490169972880659875158216019384021526309859123888235077160 | 2025-04-16T16:05:10 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -67.431442 | [
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PO_4481658227889800131975734 | 4481658227889800131975734604160235512645520039021782500452680246775372061132586417167458222077475407729120480317816852008849713274410081002719164300487147 | 2025-04-16T17:31:20 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -70.525063 | [
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PO_4480697043538788870995352 | 448069704353878887099535228025199229047249261678192075356984607211937147953083807502929331548724956695649190240641437278873217860355139975525603646831870 | 2025-04-16T17:35:02 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -104.414009 | [
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PO_1051634572459969739172356 | 10516345724599697391723563963103673606650896467884212870459107166717398494231543939624599770715097288945145291219450107297415287607908894546345113814546804 | 2025-04-16T17:15:37 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -70.944939 | [
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PO_1015066229463598213516188 | 10150662294635982135161883969357036178833869413598532101238430749456045669859427290200151850471051796754064030832040207841011016839357978201983580807624295 | 2025-04-16T18:55:55 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -68.491646 | [
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PO_1015047492729294945897669 | 10150474927292949458976697809048644502449982915495613919317813452796220048371024056394950138280718826323204896968883740724084369143409573424859865883462463 | 2025-04-16T21:21:56 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.509048 | [
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PO_1053528656612512231385351 | 10535286566125122313853516809084147265240354985911984054225862005889173590431357210748390237927544376734358554621163959962588681358593103869625929749797244 | 2025-04-16T18:16:20 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -101.370682 | [
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PO_1053529117168082843172799 | 10535291171680828431727996050268194831301163753890211069703901810741946456131224142400477964587425684382513397995164051507655151499850197547354612167643442 | 2025-04-16T21:51:00 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -70.863136 | [
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PO_1053479265682718640509643 | 10534792656827186405096436912440255843995338277369672177906719239631443411117732548565305090849002480026241511058523544179387223200802200364803717614302125 | 2025-04-16T15:44:13 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.131775 | [
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] | true | null | null | null | null | null | 1.434677 | 0.912816 | null | CO_5298365425294318825488208 | 5298365425294318825488208630556172403505152372568498819930578752747863098075478359577591179869795174196034156772991469992196267836625055211484911213939291 | 9851880454640783618606684530559500417946666505857446437424606708259116037769794723220703197110874387763165317499311950231664666582786510441962247045994316 | [
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[
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[
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[
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[
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... | [
true,
true,
true
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"In",
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] | [
0.4,
0.6
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34,
34,
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34
] | 20 | 2 | 0 | [
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"init.001_set.003_137"
] | null | data/MD/5160/MD_2726573268070736046235160.json | null | null | null | {"input": {"encut": {"value": 700, "units": "eV"}, "kspacing": {"value": 0.3, "units": "Ang^-1"}}, "hash": "2726573268070736046235160720521431789644597867968335543317393972166648078320442344803677110877070339084714637106252742807938138795187182689615633929446753", "id": "MD_2726573268070736046235160"} |
PO_1053126198450011921662449 | 10531261984500119216624497655297607024421946951721282437354859937548365287510006626339290501090362510343641999582295755403890358396085254633384000900200009 | 2025-04-16T18:08:39 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -67.342682 | [
[
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[
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[
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[
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0.462209... | [
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[
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[
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[
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[
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[
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[
... | [
true,
true,
true
] | In8Se12 | In2Se3 | A3B2 | [
"In",
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] | [
0.4,
0.6
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34,
34,
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34,
34,
34,
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] | 20 | 2 | 0 | [
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"data.067_set.000_92"
] | null | data/MD/5160/MD_2726573268070736046235160.json | null | null | null | {"input": {"encut": {"value": 700, "units": "eV"}, "kspacing": {"value": 0.3, "units": "Ang^-1"}}, "hash": "2726573268070736046235160720521431789644597867968335543317393972166648078320442344803677110877070339084714637106252742807938138795187182689615633929446753", "id": "MD_2726573268070736046235160"} |
PO_1052983441242867375040613 | 10529834412428673750406138247143883231650032692711449281934421891453228434727336521443891893928511748003521905814042199478159181283840047928743962967394308 | 2025-04-16T15:23:12 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -65.513115 | [
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[
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[
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[
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-0.0... | [
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[
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[
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] | true | null | null | null | null | null | 0.091401 | 0.046191 | null | CO_3555606305784608168404500 | 3555606305784608168404500763222392133340607468747091626512537772073614705548734434868376334417773757857416574825011983354783573136521618081224355974592712 | 1070287425368811054617698234729796832209502349178366583859672777251491287078833308775783588620689916046788744414426128131375499126652215399501255392805908 | [
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... | [
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34
] | 20 | 2 | 0 | [
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"data.046_set.000_39"
] | null | data/MD/5160/MD_2726573268070736046235160.json | null | null | null | {"input": {"encut": {"value": 700, "units": "eV"}, "kspacing": {"value": 0.3, "units": "Ang^-1"}}, "hash": "2726573268070736046235160720521431789644597867968335543317393972166648078320442344803677110877070339084714637106252742807938138795187182689615633929446753", "id": "MD_2726573268070736046235160"} |
PO_1052988869121931633282436 | 10529888691219316332824368088999418474925848432909381865699036434076928597868353921179687046980000668154035490331198844402360754772120101468617063958903701 | 2025-04-16T18:46:02 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.179695 | [
[
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[
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[
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[
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[
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[
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[
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[
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[
... | [
true,
true,
true
] | In8Se12 | In2Se3 | A3B2 | [
"In",
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] | [
0.4,
0.6
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49,
49,
49,
49,
49,
49,
49,
49,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 20 | 2 | 0 | [
0,
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] | [
"data.088_set.000_7"
] | null | data/MD/5160/MD_2726573268070736046235160.json | null | null | null | {"input": {"encut": {"value": 700, "units": "eV"}, "kspacing": {"value": 0.3, "units": "Ang^-1"}}, "hash": "2726573268070736046235160720521431789644597867968335543317393972166648078320442344803677110877070339084714637106252742807938138795187182689615633929446753", "id": "MD_2726573268070736046235160"} |
PO_1052938228382895232639765 | 10529382283828952326397652996637325945395548803413680010718964592122561385831472713196094864904385249854373687791754915410265003093617735403709808906596323 | 2025-04-16T21:57:13 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -69.18222 | [
[
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[
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[
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[
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1.312610983... | [
[
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[
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[
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] | true | null | null | null | null | null | 1.54501 | 0.879275 | null | CO_7783091054473918491959468 | 7783091054473918491959468051634163788597980733874438118694809688149036584418141386835351807945139443997173013976191852421850947092470146967780380527083366 | 2430988883809661402217654960982492020617715669603552613899893500292590416301743148384233002861904712065501982450112910325676151322359029835646459599263808 | [
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[
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[
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[
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[
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[... | [
true,
true,
true
] | In8Se12 | In2Se3 | A3B2 | [
"In",
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] | [
0.4,
0.6
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49,
49,
49,
49,
49,
49,
49,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 20 | 2 | 0 | [
0,
0,
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] | [
"data.058_set.000_93"
] | null | data/MD/5160/MD_2726573268070736046235160.json | null | null | null | {"input": {"encut": {"value": 700, "units": "eV"}, "kspacing": {"value": 0.3, "units": "Ang^-1"}}, "hash": "2726573268070736046235160720521431789644597867968335543317393972166648078320442344803677110877070339084714637106252742807938138795187182689615633929446753", "id": "MD_2726573268070736046235160"} |
PO_1052674611822285757609561 | 1052674611822285757609561768480044412604334621755029104788770727369513582768193073424954165915104282211473453654870170249055766203871487734708048626775618 | 2025-04-16T16:07:38 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.268784 | [
[
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[
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[
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[
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0.83557200... | [
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[
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[
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] | true | null | null | null | null | null | 1.490587 | 0.676773 | null | CO_1767737448034673959274191 | 1767737448034673959274191667550764058220537197557060427974974180349234466824939642750588073675280903304985622353396440398037726370029336299072855474543920 | 12379754973792849692936811199192611541024968574535383263120814018630015476374751338298139132028189112279618892423781539621268688796659380397831542833533357 | [
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[
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[
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[
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[
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... | [
true,
true,
true
] | In8Se12 | In2Se3 | A3B2 | [
"In",
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] | [
0.4,
0.6
] | [
49,
49,
49,
49,
49,
49,
49,
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34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 20 | 2 | 0 | [
0,
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] | [
"init.003_set.007_62"
] | null | data/MD/5160/MD_2726573268070736046235160.json | null | null | null | {"input": {"encut": {"value": 700, "units": "eV"}, "kspacing": {"value": 0.3, "units": "Ang^-1"}}, "hash": "2726573268070736046235160720521431789644597867968335543317393972166648078320442344803677110877070339084714637106252742807938138795187182689615633929446753", "id": "MD_2726573268070736046235160"} |
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