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PO_1001374180758802690192071 | 10013741807588026901920713570639765174749363520948828640239906900915551883293251165341754359385619121267520744091660957224983772351735365599191429471726902 | 2025-04-16T18:59:53 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -245.563756 | [
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PO_1000007687139108265824997 | 10000076871391082658249978039954253621859604466917607016028174581436428872421668830034712029155982233074701326496987309053236339728095107243074464946444903 | 2025-04-16T21:44:51 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -240.844883 | [
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PO_1000290114613946657722146 | 10002901146139466577221465547490249026695730233751753280606995000526333563245403486879306772194907964772296623878340751652740004152583118462181036316648817 | 2025-04-16T20:09:21 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -261.700201 | [
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PO_1000678680341864481116974 | 10006786803418644811169749232458392587074999237132035344645742673238812076162685092828609761618158223716724732847123488441389075243132624397269494254831475 | 2025-04-16T15:45:01 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -371.339518 | [
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PO_4925488930672505435768307 | 492548893067250543576830724653810483572548114469456587441371161895277329774209852235729997972324403542026744666847262113554083982883291312358792045814029 | 2025-04-16T17:57:37 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -209.7739 | [
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PO_4925902133272263333453907 | 4925902133272263333453907180824843058893780825520643064082449710798802465190010012203639381107658174915980181003374551914012816618828168023682706816072750 | 2025-04-16T16:32:22 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -338.080946 | [
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PO_4929770308257363959888798 | 4929770308257363959888798996916808580261630578537097507328590732951278116637436064309568586987613020909622204369282606020691588431579706991841652856716426 | 2025-04-16T18:40:27 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -576.394654 | [
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PO_4912955821988711751078351 | 4912955821988711751078351035537872020209049450035786528416823561260118827404807067982759847662398393581972631177744279166948429569071461447677880637045510 | 2025-04-16T17:31:22 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -247.67289 | [
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PO_4914105173771356831222379 | 4914105173771356831222379349512575632467520580419180406371482733707128710628156953150554998369414794975706353309837507027434649509785587415402816836953935 | 2025-04-16T17:24:18 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -463.79262 | [
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PO_4916826217617391769707453 | 4916826217617391769707453067143498849579905770683562399309734542733644330147765379911353743348400380859125381649813314672832318431515588930448710571123906 | 2025-04-16T16:03:53 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -383.294311 | [
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PO_4926002435291294837389272 | 492600243529129483738927214799223901596035010735598639933648806907953719914535122463936466701118733100425010766993337073122657480947341014729660322857396 | 2025-04-16T21:09:01 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -375.225 | [
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PO_1002642136947024216878493 | 10026421369470242168784936617593417654890179310452778542616620424740284143874835544109470993136693199983033782118605170453023095750512543137006907616453033 | 2025-04-16T19:02:23 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -266.761165 | [
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PO_4935260221979336604262777 | 49352602219793366042627770419736904912624045614136064650876454332488547353027934053446759050438405349659615323711191460291711028050077536117914504639938 | 2025-04-16T16:33:14 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -196.288762 | [
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PO_4934289056542852122829591 | 4934289056542852122829591833668601367273006282622053385665291033252254174250341635524692407365654803841239377908250299031600285578804292367003137977692204 | 2025-04-16T21:13:40 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -250.320917 | [
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PO_4931172943110540868238115 | 4931172943110540868238115830091575845086509781996899341517389307227295162404756783535599011985740397787864186271041371277585903572078879488898284313624863 | 2025-04-16T17:21:42 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -299.815166 | [
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PO_4949359235555291640790729 | 4949359235555291640790729929044967882726028506137261081153853422006946706265237623955275183216936537266371463960218389975009631683184343978964978446879034 | 2025-04-16T18:14:37 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -275.095453 | [
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PO_1003585149909761441956282 | 1003585149909761441956282895910193454440557079337125302995916903883731163320655685985913405522512781318940476112277246261089687886307994151003980899301250 | 2025-04-16T18:55:10 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -512.284578 | [
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PO_1006051443921012140129019 | 10060514439210121401290194387758452521374845237439515801397875348867411142395977364550061495288384130798202778647616904297768578691414112925381808463863968 | 2025-04-16T19:57:28 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -272.652401 | [
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PO_1006118316945917332086052 | 10061183169459173320860528792793445476978007413548506930462202821555394333756818888904993503576085493108439807478069424105866833798720591086896180187485753 | 2025-04-16T20:23:59 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -390.494004 | [
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PO_4932897241489559966001300 | 4932897241489559966001300519329110161292499664228357777780133770252496619542250189821807799216173009215612081564342608279960519906637567303393082456895944 | 2025-04-16T20:59:49 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -253.172227 | [
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PO_1005106005116605534361414 | 1005106005116605534361414865073265049837229975016009672633810591653991531564345305050628823764400996244817306771917416211359567459287604641672934049395861 | 2025-04-16T16:54:28 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -424.608085 | [
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PO_4967035126796453516164694 | 4967035126796453516164694526643148442137305311751815806706831275058831434897592386159239913398431987490745214455379739954216695040474967353874880076603231 | 2025-04-16T17:08:25 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -333.139472 | [
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PO_4967758689300446001278058 | 496775868930044600127805840019154394427296128432029517257262223274590130957489654202315854584359046854883378123023902047940747062835178224477362374223697 | 2025-04-16T15:46:01 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -357.120699 | [
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PO_4961736355692248776731275 | 4961736355692248776731275135125371080026856518053658144123806888410379589339491369302783308808227396672639562770070962926023263462644256477474805007058683 | 2025-04-16T17:21:01 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -231.340128 | [
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PO_4970809140465771008102211 | 4970809140465771008102211746716102781329976881477112398417668217089668785648597264798109957497516439027130234938682653252259865481956707350360635427200010 | 2025-04-16T17:48:31 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -461.529467 | [
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PO_4975108574478419433671700 | 497510857447841943367170081676892329016844905292104674512863965041817459771043333899463753636369080291828290740551060516715585269959198196986256400024790 | 2025-04-16T21:57:13 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -359.053303 | [
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PO_4971796292529906126734120 | 4971796292529906126734120566638683424581014142982952893426532890856013721972016971951564146790679470064391825055952854459440022113200190632855170103474991 | 2025-04-16T16:23:19 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -355.816636 | [
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PO_4968264180258671818789336 | 49682641802586718187893361311767952240810521920786782312709117026221257240688702745645393876649414680572393617094027179802449176173484661284246960124369 | 2025-04-16T21:04:14 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -282.813911 | [
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PO_1007558446724781326292278 | 10075584467247813262922784821508061116443049717249489126318101316696151851605936084614030806961329396243325610854154157866135922037092540453030050237243853 | 2025-04-16T16:54:34 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -264.479693 | [
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PO_1007627213327978244233894 | 10076272133279782442338945161265408166042371911993196276067880851313216858427805681628415929706970717756024632665096574536265096643436379055501766511044857 | 2025-04-16T20:38:41 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -327.527896 | [
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PO_1007812100420751767253575 | 10078121004207517672535759987317928681314084787312378977605412818166354900350693961510357445084158867267615884757961306049408250525823701935596337997843338 | 2025-04-16T16:22:41 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -319.28584 | [
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PO_1008043401200875038551686 | 10080434012008750385516867789515499029675226586242338829164579214733637770822912361863880846206658890193790725509683882745488030670525840171694222037434014 | 2025-04-16T16:50:16 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -392.275843 | [
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PO_1008026688320877041774071 | 10080266883208770417740718675001772617273690680893764584678392543332908998810684073258562767540187898091954803428443221787521652731460044383722278336668375 | 2025-04-17T18:37:27 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -350.871708 | [
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PO_4990175793782251512629325 | 4990175793782251512629325813502570124894656772404967359221590650795304319849910436393412689353537335649983868181536468939549330823007090239948908239843813 | 2025-04-16T21:56:50 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -412.459206 | [
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PO_4991301070371976924914238 | 4991301070371976924914238279733677570449291400116965711289198726099136850822546799721843219112693224492458773605896798313596464593655028936427185293951882 | 2025-04-16T21:12:08 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -472.387224 | [
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PO_4988335617735859735807310 | 4988335617735859735807310778679448560965118850147722451830333727183988417769033661255920570272559570571149354170349346258154409541461714092962287135300071 | 2025-04-16T17:57:27 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -252.971963 | [
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PO_4988946377804410118145222 | 4988946377804410118145222221727533771884186922831047059037768556367321403397858845435842725836088733826563201779494986851653292457132732842588368618725365 | 2025-04-16T18:08:49 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -391.884263 | [
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PO_4981855812849799707030861 | 4981855812849799707030861169124415478403084993737291922092995855254480864339334173329849774060238001076399196338393294812588206503521678595858296765674369 | 2025-04-16T17:50:00 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -410.106062 | [
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PO_1009880642424742308418999 | 10098806424247423084189998840906678045209302307576092288056849100875696947878736100116368066579548239455877673853899804714303755615307959355784098122203129 | 2025-04-16T15:40:54 | DS_tz8gsj3xi2g4_0 | 2 | Quantum ESPRESSO | DFT-PBE | -424.882419 | [
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PO_1009852294805286023924848 | 1009852294805286023924848670214866627372802121576789791754948773580930367863226951522725970738473205992160846725311395626792216223001872482141477797984609 | 2025-04-16T18:29:58 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -365.011844 | [
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PO_1008413318828791062010488 | 1008413318828791062010488564252281837030495221803602349588996317083571974661518291356376023753081505536915487623021248169968239229359498090861032003081970 | 2025-04-16T20:19:21 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -200.266258 | [
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PO_1008958946878863515553377 | 10089589468788635155533779045372233175645186559119741236623415705113136952565474582798474125806784575566277751232977397541113969407339405103893370869092591 | 2025-04-16T21:23:51 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -377.739123 | [
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PO_4438688062282386776684336 | 4438688062282386776684336137598503314375850023342074313892098250329580422971442309870529259637741726170267602196770570723910657944739290957294510886497585 | 2025-04-16T17:55:33 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -337.335206 | [
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PO_4435403400871509715887537 | 4435403400871509715887537468880859694195627601743125169610747535538186439226685926781892944572342467242741427967623109476653782434307791657940555788783817 | 2025-04-16T18:43:26 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -280.523566 | [
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PO_4996139553452073364589809 | 4996139553452073364589809880419641436413639114183257412789478665277776528470468910938572602056616707189623438078241257505610680582425459874066924313584554 | 2025-04-16T20:58:52 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -363.168143 | [
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PO_4994223085391489111417280 | 4994223085391489111417280920518935686189174644394248830263436182079989641050966946567866377069676778760301208176233467759108826075476870120740798339633012 | 2025-04-16T18:09:37 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -367.49878 | [
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PO_4999947692691914017709621 | 4999947692691914017709621661718995949697004072701392855685027719010639031567311694090062078365325245343718934177618404932607839936074322607709405479734065 | 2025-04-16T17:52:39 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -355.468213 | [
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PO_1011510270220844266804064 | 10115102702208442668040640696895671039665668487547362031878334908805794538690059255371670829882499714895312800134507403589005235069401329400046057212866691 | 2025-04-17T17:35:57 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -365.161742 | [
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PO_1011769774811115339931536 | 10117697748111153399315362350079681292962241708632423906105188665938792796056763528017551438520931161513716899113919714108290743728412404635322643280970887 | 2025-04-16T19:57:50 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -284.830701 | [
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PO_1011913669148930851711776 | 10119136691489308517117763832493829633602976180316379652598929122134214778185873035705927745263516742878136389807049968735865939160255918786890085967752608 | 2025-04-16T20:10:51 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -401.368705 | [
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PO_1012283215351734811888009 | 10122832153517348118880092277051038781432558792202132341135482451932179278508648267115616966495526070296351593459887990280407658654207323475018607667687060 | 2025-04-16T18:41:25 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -313.845993 | [
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PO_4449164878177745230235434 | 4449164878177745230235434110273245215206305708130245109629365671479475531113987949962067177004512447298189519400429119913033592475846655480351784715488152 | 2025-04-16T18:45:49 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -419.689304 | [
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PO_4468480497898825599795247 | 4468480497898825599795247440278954021588406618194738558789671878263138859550122732510644530122751155793896548634859346555263415436369919366299668032243460 | 2025-04-16T20:50:01 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -313.468901 | [
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PO_4467106350864918190406721 | 4467106350864918190406721042599742867134448666405584253412226377296813808286219992022784311960471160156923909476889223742105665658086522350592838422847244 | 2025-04-16T17:55:33 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -447.440739 | [
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PO_1010983901251150759469954 | 10109839012511507594699546286072630113485862220711309913968776842988070286618842087531105572187939437371473937800356001873850779917134245759560098252147737 | 2025-04-16T15:18:28 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -409.373467 | [
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PO_1011226045355701068055552 | 10112260453557010680555525243005619425541608370007788202745371594435207789763771758906505221701504488853412850900688459284121056507804920548984305623316910 | 2025-04-16T15:43:08 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -370.375349 | [
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PO_4453980741838309119531264 | 4453980741838309119531264523976572297911411588977648879980476004215380659560402509347208911594504307660878280785008395995032224037174926255187422260943522 | 2025-04-16T16:56:51 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -391.860728 | [
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PO_4458175851087657802789398 | 4458175851087657802789398202565093782660998245598111696409415491953197187170591225577415026572179299744884780031512106181778099458120273309037181551790005 | 2025-04-16T16:49:26 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -537.180667 | [
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PO_4455560147690731235708196 | 445556014769073123570819655700761187891017886930670229362765372848253916962828658967504929035660682544029984625840263930190031206091056073260988416736027 | 2025-04-16T21:22:14 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -405.10275 | [
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PO_1012720440556405033219159 | 10127204405564050332191591051074761908660765217296853385527179372227979004459286833711697966571357671196788129471476611764125611776905387810956704629151635 | 2025-04-16T21:13:01 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -206.713468 | [
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PO_1009708712475590447062925 | 10097087124755904470629251621761825452063339525623123487963816810760353148645958132161179256911223168507654665159212363157524503249202572708214671290469565 | 2025-04-16T16:28:27 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -255.590483 | [
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PO_1010054492932072209774324 | 10100544929320722097743246883537839143870146043395214176434675419897760551355388077533579031668272199249569901256783897823006166269781322616168953951625858 | 2025-04-16T21:28:46 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -220.537927 | [
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PO_4464297169441917050150254 | 4464297169441917050150254997599922131855238038652436124316792476697192348886514548634268558606445389395449289992140905527812350294949423974876183227166291 | 2025-04-16T18:34:37 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -378.283277 | [
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PO_4476452414641212312263173 | 4476452414641212312263173735447467395981532573673176165042042869242911246381734674352267802661239468341128530644642719418787734569720711282691729838368065 | 2025-04-16T20:04:32 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -312.787317 | [
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PO_4450609987047778017664326 | 4450609987047778017664326061689891183854378018252283210816643677593281879092282563220276323833994516524310107178162298210705020123348224905848713151841681 | 2025-04-16T21:52:07 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -400.757605 | [
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PO_1013523640062766028213190 | 10135236400627660282131903322438263882840971715516116920354297406762781426299277581918241304187577362197422058346251625991359311188019302682278000332162147 | 2025-04-16T21:13:01 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -329.650645 | [
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PO_1013550356735052543269388 | 10135503567350525432693887439125182688710927635848137108833447429510703151948152750264142987903432218089880037498632145634471922500502679924342165184900143 | 2025-04-16T21:57:13 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -435.635251 | [
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PO_1013679801590640249589227 | 10136798015906402495892278186739216116354966972969949162340178379984285487363476029884460358994459132962715258152839022711104919542987845814499944550585444 | 2025-04-16T15:43:17 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -299.599885 | [
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PO_4485660502237925704575579 | 4485660502237925704575579036371419043013805457932068646364398844134311621009373017022190096115177560419903442739037569853508438772419450346897308865675262 | 2025-04-16T18:42:12 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -386.274881 | [
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PO_4491386797719927879840844 | 449138679771992787984084451125601566417360490191301471467000239760478791555248844845040565781028344466108576494273664643742906763426861188143792332935377 | 2025-04-16T16:05:10 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -288.911193 | [
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PO_4475371060187679366063057 | 4475371060187679366063057603792688088650652083591903601866762491596353033309665474271453593741203045973278930444344109796876160357412299418830725051323935 | 2025-04-16T17:30:38 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -504.10764 | [
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PO_4480048023516066332115532 | 4480048023516066332115532834813076552605690824511359346498133167804478408196179091172390422388290544557817041458182707703437661797275951927058131157343333 | 2025-04-16T16:24:36 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -436.318407 | [
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PO_1051044717685543697667856 | 10510447176855436976678566242404344683296327077734258122431698984144173427228854991453168060477508304946948711425921269140989425616339768121321386438685947 | 2025-04-16T20:42:25 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -283.906769 | [
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PO_1014593233233583258602488 | 10145932332335832586024882966870140515281540269894171969720034710565898057328703495974510496587147429563915180820382469054559380037912607018361464860305028 | 2025-04-16T18:46:47 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -315.70938 | [
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PO_4495543775484222206331322 | 4495543775484222206331322534645454802896962093970461817787510463955028261288501838126498016894203250798201162127021833494320485911472640543046134421755668 | 2025-04-17T17:56:16 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -307.649535 | [
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PO_4496720836692728762369025 | 449672083669272876236902511760270091154694698608218486102395547690067763705659806034379227546392684407236059694510416725363186230818568513048723509637761 | 2025-04-16T18:30:57 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -267.064819 | [
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PO_4500566611431304187737209 | 4500566611431304187737209772959823705127182349702474822299851449581596149503339181968665898228546977947219518551802425108297082322048823817124553806148995 | 2025-04-16T15:43:10 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -465.278275 | [
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PO_4500823175111275603681171 | 4500823175111275603681171797169233417251397396566206660767577993889840434336514444150804641641208810131736715009296035704049167951636414930442580660584047 | 2025-04-16T21:12:08 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -288.144539 | [
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PO_1015709200676767897180348 | 1015709200676767897180348834409189893541510744000870928173380781459050906596751676769662229157447150840843796422094422883001188840059954871038488336236359 | 2025-04-16T16:09:56 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -324.971915 | [
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PO_1015812737728971876580820 | 1015812737728971876580820990175804757896295978511382142024334724653133634838094712680106239404407107812999856319338478632451696603115038574507819652375914 | 2025-04-16T16:55:04 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -371.47093 | [
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PO_1015630853015502214953537 | 10156308530155022149535374947304487109645437310215878632557575391897111073390645567177402673436641608055453001364125645156100997041008499228644112142100044 | 2025-04-16T16:08:40 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -451.679935 | [
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PO_1052781728625497850840332 | 1052781728625497850840332606094840102123907816540935436420358386784681490954319131986503354388631875608787818111874144874975872372448688562498786601961806 | 2025-04-16T18:01:59 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -452.717979 | [
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PO_4543793653479841360755814 | 4543793653479841360755814436487718631628457642487570087594434411044365537217246465379818730941799879947581484158045299493133275989593166596495030988582053 | 2025-04-16T18:35:01 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -192.487266 | [
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PO_4544113528678683818831633 | 4544113528678683818831633474394296179149397270740788090335307152166381015944663445771546888997677882890855422597720480940344159382177049755588955457951754 | 2025-04-16T18:34:37 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -472.087652 | [
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PO_4544746203881009894262995 | 4544746203881009894262995235099685419211562878630629990251090185868443072116088499804921824419299568347698514039429505710129699303729847117362160383169885 | 2025-04-16T20:05:02 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -289.719163 | [
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PO_4542259358830266030488285 | 4542259358830266030488285613712437425687975218735420006581978977995589178450512135435103488639704593110250753528231965052699032031684503316458365734503178 | 2025-04-16T18:06:12 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -238.793231 | [
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PO_1053812957117602210322669 | 1053812957117602210322669775491919255654176622257029534956935227818863763142559795642749764922041272610015163251615733509701987666433742234625432310268018 | 2025-04-16T19:03:50 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -403.889008 | [
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PO_1053380359298797327720313 | 10533803592987973277203132526790812671053096522502496394738567875814054419667076715504532396970772172949062959615453219325889473682054983065332044261180052 | 2025-04-16T15:45:35 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -343.66829 | [
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PO_1053318243703771577821573 | 10533182437037715778215734397976898331300787293803709935763777177291032041155046796793674345793924308435949849066985885285418197266777766400965982370294334 | 2025-04-16T21:37:22 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -394.773808 | [
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PO_1053606228872333247658072 | 10536062288723332476580722136686151680371111948214517119624393484226962624500850617988602806615387229345860637680591392182184353562098709882851852737580788 | 2025-04-16T18:32:29 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -300.12886 | [
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[
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0.0070586212174754... | [] | null | null | null | null | null | null | 0.032658 | 0.013066 | null | CO_9018820964600058341317174 | 9018820964600058341317174852433661823807188308640742674593271738398834110709598829556006572017905100801612234710724483005269636965078947080001589690706383 | 7849322904030184688747587811137410389340622413152378321708727179000651484464531115143136215555002001491539448158615552792910674227599979423793963922438641 | [
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[
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[
... | [
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... | 110 | 1 | 0 | [
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PO_1051835830395183703004815 | 10518358303951837030048158942490002969386934384825365999880718018763959991052004673518863139464351630030495818707470167383664620684508920225549432484523714 | 2025-04-16T18:44:30 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -417.566559 | [
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[
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[
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[
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[
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true,
true
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... | 153 | 1 | 0 | [
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"data-41_67"
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PO_1052010182767775077518058 | 10520101827677750775180584329015554827552324284102364395689275127858579959411201448845787830401376481004606869858650993531019825129844720984346446929706461 | 2025-04-16T20:41:30 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -442.994419 | [
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... | [] | null | null | null | null | null | null | 0.178317 | 0.058624 | null | CO_2959938252406425727574234 | 2959938252406425727574234328500006279888617666409703490891657587691585763579651364572995874787039587225048687070484743727261524297483536455924612820361229 | 3644710642625285701868655018134355419144240182856367344794386704443387430874633214897312881635755881412366952769756784421815489328176398954899589037538806 | [
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[
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[
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[
... | [
true,
true,
true
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1
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... | 163 | 1 | 0 | [
0,
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"data-30_0"
] | null | data/MD/5914/MD_6643939057733462811145914.json | data/MD/3281/MD_2662207871939117680583281.json | null | {"fermi": 0.38607344607999994, "hash": "266220787193911768058328173212263723806783987256841251039521886810146330998586274417145850102960026197382076840941150502225229168561973448236152929376437", "id": "MD_2662207871939117680583281"} | {"input": {"kpoints": "3x3x3"}, "hash": "6643939057733462811145914405395890628028266156972818050701550021368872136636671133015855377434037458505168737175762776701855531341958525963369589997719194", "id": "MD_6643939057733462811145914"} |
PO_1015122650807238435553131 | 101512265080723843555313160106811662143189687779518948538210693877804420887824580601248127929104637831172501562680654958039186676108550935581725725520748 | 2025-04-17T17:45:49 | DS_tz8gsj3xi2g4_0 | 1 | Quantum ESPRESSO | DFT-PBE | -368.313187 | [
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[
0.04511570797672612,
-0.02190646040927704... | [] | null | null | null | null | null | null | 0.108987 | 0.038807 | null | CO_3700730808899422824590960 | 3700730808899422824590960575946551407977989351565979582617810523705682543441657217053330557013478500628940043380177205188846630324472371989164822459700396 | 7776967125902222467732100220725564399350213887735157985730559798964326400238224006777908825513314350309263552702077991114696612711416424020072934491457244 | [
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[
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[
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[
... | [
true,
true,
true
] | Al135 | Al | A | [
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1
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... | 135 | 1 | 0 | [
0,
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0
] | [
"data-25_69"
] | null | data/MD/5914/MD_6643939057733462811145914.json | data/MD/8643/MD_1153682655038917961908643.json | null | {"fermi": 0.2644479628, "hash": "11536826550389179619086435663160153598262276647169959271585378973450034673117840639376075423307664008677446012067242516154948761562469907439526382351883203", "id": "MD_1153682655038917961908643"} | {"input": {"kpoints": "3x3x3"}, "hash": "6643939057733462811145914405395890628028266156972818050701550021368872136636671133015855377434037458505168737175762776701855531341958525963369589997719194", "id": "MD_6643939057733462811145914"} |
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