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PO_1001804507128481558386509 | 10018045071284815583865099794483984020358354345524631043067426858011388567115616321279082678269510170791478267179079018163246432894470914922583171479841456 | 2025-04-16T17:45:08 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.209595 | [
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PO_1001799712191625042144732 | 10017997121916250421447321268931886769015384334698461466897446623782729854009904393250134386672196291295855821760963502300124457143279726265878793298241490 | 2025-04-16T17:47:40 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.776909 | [
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PO_1002388315878188556883343 | 10023883158781885568833432090819982289477960418625759205045609801754406167311099717459950593314430551680901371903923516499240777107538384001809819856679647 | 2025-04-16T20:51:28 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -70.944908 | [
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PO_1002355785861087593590439 | 10023557858610875935904399011672532305305898096006020005877666732594285816597269741294693324831858690775611044316638226908080724899508189974654699281005420 | 2025-04-16T22:04:30 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -67.793907 | [
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PO_1002491093819271665330951 | 10024910938192716653309510163596569706285798243085699856731722413587752699257520432449792162276284230699408898036303946067175932553827033496918554280376799 | 2025-04-16T17:45:47 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -104.980942 | [
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PO_1002495432038404272257370 | 10024954320384042722573704817418930038358616019280481763109034259401821914021909899616851138075822524202186506296852127759542914151483136817776847653220557 | 2025-04-16T18:25:21 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -68.290222 | [
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PO_1000097709788028693067741 | 10000977097880286930677415284319758651784303126036750244843856703674063500441972706701733222618695776722109885461196144531057217483434319360718042416535548 | 2025-04-16T17:31:22 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -103.334702 | [
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PO_1000130949916473460358212 | 1000130949916473460358212619027688191178078975021795619070679110882906828718028449658864680291214167122033477116848430453172826645230871013206057180414162 | 2025-04-16T19:02:01 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -108.934433 | [
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PO_1000348042352059433919680 | 1000348042352059433919680836768756499391934413865940518147334670524405866267307960195651634593297140455521100658322284678966982803195051431251230160608045 | 2025-04-16T17:42:15 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -67.316292 | [
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PO_1000389358999569924725140 | 1000389358999569924725140390362146596311271146278513045038811616076668846002380603067392902766804089086922930358235145384530504621477294831428337216122758 | 2025-04-16T21:17:22 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.34523 | [
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PO_1000344096412749669008838 | 10003440964127496690088389800192462273381884465261406008540726998399691889104398234612228638015826838583997973381943055993160308140855049045707490692698014 | 2025-04-16T21:37:17 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.480331 | [
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PO_1000636410884468489725562 | 10006364108844684897255620367953396729097638323779145986827317658285962676233288324530549536412825289253556507468593049607957218718148071587839528930262368 | 2025-04-16T21:27:46 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -65.217865 | [
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PO_1000755376436173610668799 | 10007553764361736106687998947371621208170337874385178123808268980490464018746472753118574755910613774144172710567299495610763383160122315413129491293347744 | 2025-04-16T21:23:51 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -65.268166 | [
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PO_1000899455726634702730094 | 10008994557266347027300941895390575755931649748163337676661998619229685831026764250636629548267897231214193653459380938746744410033035558237932991519721613 | 2025-04-16T18:46:05 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -68.979408 | [
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PO_1001011528716588395094652 | 1001011528716588395094652094990171881297716076249932075887670550974761217999054371008384918572518842389264709668866367582672574154587910160049994265549018 | 2025-04-16T16:47:36 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.508018 | [
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PO_1001196634477793364299461 | 1001196634477793364299461416722233186220526703674303035078438702894656222848078511457409057227335008254263104147041754710227239876870030242352297304654609 | 2025-04-16T17:10:53 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -65.627853 | [
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PO_1001190697839985362794349 | 10011906978399853627943497658924917970624284076883691957558836361843451148171819393526835740941340241828008668532834985539457633888238248690454211106632129 | 2025-04-16T18:04:40 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.353249 | [
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[
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PO_1001156966480355077445667 | 10011569664803550774456672956295925587275325816779846525698188510607926949993058485186022566070558239045155659936157008307696080060909596802145968622879345 | 2025-04-16T17:19:38 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -67.553482 | [
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[
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PO_1001258467898861316974041 | 10012584678988613169740417616954820704725195351855541419569364644372445750528880747366842066560049742172733510571398147394209797332097166450904182231882470 | 2025-04-16T17:11:08 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -103.837791 | [
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[
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PO_1001524091405574771237960 | 10015240914055747712379601636924724071202442811458927012127121986498161270726147490893147392225356354244691859763658429116668154278708752444412285948850562 | 2025-04-16T18:07:29 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.088196 | [
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PO_1001515991057989335040103 | 10015159910579893350401030073682475715512449123819672462739871810283778907633575556808893652070566857795451365605087767683691791344113977617705267497355902 | 2025-04-16T18:20:07 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -99.857971 | [
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PO_4910222712447371364684557 | 4910222712447371364684557550313692461103929636056588988007314626096652968463045562687964515350300221840220893405001653190728734233889862226898009264777570 | 2025-04-16T17:26:14 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -103.714523 | [
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PO_4910189364319596307704959 | 4910189364319596307704959093854088307986590171398336659369706252228614385280276541067717262247629276280053176375977728503283091988967406588123149477101779 | 2025-04-16T18:35:06 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -101.210213 | [
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PO_4910034701071011551890210 | 4910034701071011551890210537094337403352496106590437283898331113065479896659377935882652111161650903928804981503027330273147555265627837346866631367863606 | 2025-04-16T17:24:18 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.519402 | [
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PO_4910638245007813950300581 | 4910638245007813950300581931639591274187215366804623730547211227213287339565175734762738563731467998295863542945866667659442154908733846743698036315573554 | 2025-04-17T17:45:49 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -68.126999 | [
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PO_4906398428185502133248636 | 4906398428185502133248636447072497402962748686393412043130883974153065454133559773012613654865810288224011388883252511616286012881972383080868773511666268 | 2025-04-16T18:44:20 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -109.031998 | [
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PO_4908651765164227780094105 | 490865176516422778009410549107903372916596263127643198887170761226542155014096124134262580704661199771526591627593211709728718436798623617054579121877224 | 2025-04-16T18:28:43 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.400497 | [
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PO_4909534766241346016249325 | 4909534766241346016249325164507693733746197474592166552917840252296460223835897466523119505086497819475129398500494191987057146131241290908266390621508327 | 2025-04-16T17:57:37 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -67.117622 | [
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PO_4924514121430568314772112 | 4924514121430568314772112540381218192049059105227249527461394526129244616757641481134906381208440366604119378350682752190844280486332543508543678705422195 | 2025-04-16T17:55:11 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.176521 | [
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PO_4924019233415540890349629 | 4924019233415540890349629203935517241388806604980935121290816529396354083468963380744723577901159980683403206047650341929646240489738282539949080878678398 | 2025-04-16T16:56:16 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.225655 | [
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PO_4928975741386180188987611 | 4928975741386180188987611506284602978448136877032682618753344072716943381672822359976423745223221047760562567955737668250350510123752972305925754580885580 | 2025-04-16T18:39:28 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -101.199532 | [
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PO_4927605929789265953795261 | 4927605929789265953795261123765018673795458288716236121356011356805063501178836717478739165707889124790533446806500730311862950041431712964961254730720424 | 2025-04-16T17:45:46 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.241806 | [
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PO_4927143730723022764874044 | 4927143730723022764874044509342722053777608956938049109939606214405791262776934398508194787072387652630688018137522386922740214755764841799291579494275584 | 2025-04-16T20:18:47 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -70.061531 | [
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PO_4915394597036961849587391 | 4915394597036961849587391484388073547788995695599768545003724776561322008188015076269569467642769852132246243990837005429929515369414269154680375880767832 | 2025-04-16T18:05:23 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -67.713493 | [
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PO_4914096895383607596788899 | 4914096895383607596788899026830134058508156760325136369245924772401523720381519386731625188883527792332661256775628077044477148563474540727906420296020051 | 2025-04-16T17:06:11 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.617752 | [
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PO_4914869316421489605708609 | 4914869316421489605708609226887506415647446929306273808504804518408217463322196090457228865398175335657274233284993164917486831960370074453386041238707962 | 2025-04-16T15:44:31 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.330147 | [
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PO_4916466478174516506000033 | 4916466478174516506000033829125171876360970662562693959812659781917917420335327367959402569376688907658637037842265830924662119868482014067435608894857775 | 2025-04-16T17:42:42 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -68.236008 | [
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PO_4917775045841367577647881 | 4917775045841367577647881841947242274666974395279591085934132139944245325785257339875922091315238527976205481559570803003742523899331682689241181141990189 | 2025-04-16T15:44:09 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.134827 | [
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PO_4916577917248227856646070 | 4916577917248227856646070777711858186785995267309662191435299617822100891645382655374320326386044252809784536510619456402654965545507047946475266405458955 | 2025-04-16T15:41:29 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -72.100571 | [
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PO_4920041294110563576947972 | 4920041294110563576947972391937019119744415435792347185463772379077471275502453939333461596431311703236511084355383671781188235492532083796654212044158719 | 2025-04-16T21:27:46 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.110458 | [
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PO_4926603442346604495206565 | 4926603442346604495206565002705544063010595088952345519877121466781168898098037288403120163764478190910008252148512726965517172522889190941804858779355539 | 2025-04-16T21:51:46 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.400391 | [
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PO_1002728980930300884347569 | 10027289809303008843475690042636995915806842052737207003075053173751854579212539357184583099310187828755280556242912488488960530701301696324952987831594573 | 2025-04-16T20:38:45 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.100937 | [
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PO_1003098508993866810016979 | 10030985089938668100169799694177872881242784187968074794566700513272362355600964886570856963139815553920594169472585973488074964677301118941210343159550431 | 2025-04-16T18:56:50 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.212059 | [
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PO_4933355080758940336553346 | 4933355080758940336553346153305304335942172027288296835724163490473065945546602108625034835275338236204400276187780178602098587665401564238007220437249478 | 2025-04-17T18:06:06 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -100.304352 | [
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PO_4935316233199361082446150 | 4935316233199361082446150252001359209117575652691712965415361081192152617786731061538220802962740216272115184148201129731480448176679905044355260447645799 | 2025-04-16T18:10:42 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -65.512657 | [
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PO_4936445605679565565403116 | 4936445605679565565403116213852556878552802019308559997508982343131829897868638799589836568453649960795683005701083786044773332782323930035664704486846310 | 2025-04-17T17:56:16 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -99.349442 | [
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PO_1003378611877711075955207 | 10033786118777110759552070684183376429698280304106092174535239272379028237048500832861224379209299745139547897542544917014188533667468914954208330714851024 | 2025-04-16T15:43:17 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.194496 | [
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PO_1003732447920851219004653 | 10037324479208512190046534944408716737460471057812783404177836026538418588082260890047395543716688877640898014550599180081875088728901540120445173272958225 | 2025-04-16T21:29:37 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.310776 | [
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PO_1004336476285543538482451 | 10043364762855435384824513406608052365700670605905164425259488986088069837155342227998706583254583966623159884778639257540958083976056686403005733654141842 | 2025-04-16T17:47:40 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -65.903305 | [
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PO_1004382304698122941429996 | 10043823046981229414299969266955190184387678668217100129903150053255783222204600873617597952393495300529764177415770475262166993621940951673956569937212294 | 2025-04-16T21:22:14 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.298744 | [
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PO_1004787567708701211544214 | 1004787567708701211544214791062533843781790062546947196727842990339137013973819932621731495954281611162841205992220398489408261005501065142205953778756624 | 2025-04-17T18:37:27 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -67.066864 | [
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PO_1004953188020197672440751 | 10049531880201976724407516502840718822873731464263292254179003702531485930335634888880016713205924190835600179441443246249756669137389032798508673117772107 | 2025-04-16T21:12:08 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.255867 | [
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PO_1005061178809091555982545 | 1005061178809091555982545584075610896184001480265372243682008800747110344961333950325940620584940117624072778678977502534941469179566657729304096533496785 | 2025-04-16T19:57:36 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -98.605263 | [
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PO_1005000858459418270462218 | 1005000858459418270462218872502501569268988416332194807782899159318396690629678969772722762059580215770823981165978384369476397969199772053154047042968821 | 2025-04-16T15:44:18 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.31823 | [
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PO_1005289420418827198908257 | 10052894204188271989082576288426994420937470508761373146883745857524262150540534953191995194097947020985988222304616774093165647513652064792324961008946085 | 2025-04-16T20:20:36 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.632607 | [
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PO_1005239367110925580374968 | 10052393671109255803749689007974841140483473786501125564522050878525537700968192369634953593144285677195749196207053079582969732533792112378791764306149969 | 2025-04-17T18:26:41 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.191719 | [
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PO_1005392939935023715033110 | 10053929399350237150331107047698631207785199017356184700727234921463119001808378564789464707206526427697637883418967633088788942691621280013491007770463253 | 2025-04-16T20:28:34 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -64.848991 | [
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PO_1005440023997579791533839 | 1005440023997579791533839520431958871433549939820569413325530794624238365291320280760131885431742441061299085168827532385875910530162804547406893758454296 | 2025-04-16T20:11:54 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -68.071541 | [
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PO_1005552934918434065452083 | 10055529349184340654520839031860241109131501608409094085031467068583774650801450193033633264016848045759770163931501955549135957223383586515765308880179180 | 2025-04-16T18:24:08 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -67.134048 | [
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PO_1005791884175813092882686 | 1005791884175813092882686150536558566141535702667458014584908594490224505093906815106789054808567103875138594308577616483797781515380786061760131708288292 | 2025-04-16T20:38:45 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -65.312439 | [
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PO_1005685593187078733451445 | 10056855931870787334514458957906247010103172782357938987614192941464162591559481262828943879135704883762721640023632162371540761583391195986348473265209500 | 2025-04-16T18:07:55 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -70.989433 | [
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PO_4946943148083991337552465 | 4946943148083991337552465652328754736933579272268602316121565358271204109700649500321721169086563967621484944370107884298423360218612432628366067549023940 | 2025-04-16T21:51:46 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -99.886414 | [
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PO_4950734087798230948099860 | 4950734087798230948099860592400953523057257222718898224007569063236444538775420359112169027589770198615399812107648163359183059471491228204985898771335391 | 2025-04-16T20:43:06 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.408531 | [
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PO_4952763551996709166668727 | 4952763551996709166668727234093036888299427274361455780461207808111098573436646272628226673463225255442860664189664616443220299757357865453243265508996219 | 2025-04-16T18:47:34 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.412285 | [
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PO_4952023931252527462800700 | 4952023931252527462800700711306067808079439833150716424135310281342166640788928731414578754068363628085405689212930185814740452622352948313244866356324802 | 2025-04-16T18:32:22 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -104.875671 | [
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PO_4952073505737700208474252 | 4952073505737700208474252019256273822803953290612051002496510677323316196303528072153575829357123077318472702862401503084694406480583213777127270995763590 | 2025-04-16T20:21:52 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.430305 | [
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PO_4960785069661947932260364 | 4960785069661947932260364293099151845724789312047511988403615305287186648516619546647544645060737352967297627229718060808007713118268131520560135394106072 | 2025-04-16T17:35:02 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.533531 | [
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PO_4960231569215249892987473 | 4960231569215249892987473938200739081808587213760927255592281437314026897627640571909711919464322584046646269053615737572078497433055581342877457182026848 | 2025-04-16T18:55:55 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -68.730301 | [
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PO_4951008853400271411726053 | 4951008853400271411726053632319282783467018495197879324565689997051480605180076836765388627426900616598395504472784685028077965985450928942159774409086497 | 2025-04-16T18:34:37 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.388 | [
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PO_4951544467098625248949988 | 4951544467098625248949988069972060362486478767386376356446871873469957607097974153689790285439630716621331178533462520946480058829331866121943689230534888 | 2025-04-16T18:04:40 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.659294 | [
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PO_4964025050150793996276709 | 4964025050150793996276709707003764401617047524232682261011519278634572898975556819512493798819321496655029507710533677187610793480482976181343623239785154 | 2025-04-16T18:21:55 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.466766 | [
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PO_4964530905529112064328798 | 4964530905529112064328798906339212842518105302795891812897249615512073531792356310229774531682614494858031310906990254004971660969169396133227702221245054 | 2025-04-16T20:04:32 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.176506 | [
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PO_4966851560994691952234654 | 4966851560994691952234654225324207869724571920182986762872806539879564922083453655618071719571642482791725125435158989921040838187360805504652779443417603 | 2025-04-16T17:18:55 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -65.175751 | [
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PO_4966842662734467023884898 | 4966842662734467023884898207669454722169481025241362129029565347257421741457387311316237727934989363802546252555051006482586822303303350099663387571169766 | 2025-04-16T17:20:02 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -99.917885 | [
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PO_4966591068034541237721617 | 4966591068034541237721617804129512834359690203148326339946006440105308031337593306621642541059652162280305292650344058108461628930275600004315686483831494 | 2025-04-16T16:51:35 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.562363 | [
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PO_4942053605472843091450304 | 4942053605472843091450304972825479952487103868499889046783907130946909417216821550278579947851199007448539455101093548955167368304467722007573662839137529 | 2025-04-16T21:23:51 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.244499 | [
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PO_4942835620130255530795966 | 4942835620130255530795966021830614652557796601431133410883490686218021552498609622443347583119153183429371137729060352926202205398658142341035631530808109 | 2025-04-16T17:47:42 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -64.684128 | [
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PO_4943516299210134679681353 | 4943516299210134679681353466335786971518800759200794496587962949916387994885659952853808521496321614887369016111217017296425555003219898264163598154390351 | 2025-04-16T15:18:29 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.306526 | [
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PO_4946731468549579293621335 | 4946731468549579293621335766309563852055189243748076340331388727105748963242818003899765102762403981717521869055646608216947467040461397247112065591159900 | 2025-04-16T16:56:02 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -67.157814 | [
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PO_4962830591584585302612445 | 4962830591584585302612445628717478756234645954358547625640632370053126504285860174294040224711296072662605830343546427127840200622777665549079213572742431 | 2025-04-16T16:08:59 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.380554 | [
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PO_4957915287191170772709346 | 4957915287191170772709346113161283640533558118551734132267863784048905476929926847102975148781464538494385207557213435529689898272301442664628696461484650 | 2025-04-16T17:50:49 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -68.489723 | [
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PO_4958504477224312923350144 | 4958504477224312923350144428906650140058735146473993387528567455088890378507559627511713326079410373375277841056237709464725571420767727225955527447681947 | 2025-04-16T21:14:40 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -70.769775 | [
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PO_4958267573399019442057140 | 4958267573399019442057140593788360876500437771664047559671042275467764173238757031627403948423712439062641492858275803379238886398466657174149680973016053 | 2025-04-16T18:54:02 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -103.013336 | [
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PO_4963969396880996912808945 | 4963969396880996912808945488101111629017283371077466766591634127435692046997389582023237460274804783561673791374394274482057685547003110061241211964571454 | 2025-04-16T18:57:59 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -65.523849 | [
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PO_1005621906277312585158938 | 10056219062773125851589389568250254139279151994732428230019771875649688530136664414639398356259898386937328553179422869340194244981000219470432143794071442 | 2025-04-16T18:59:53 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.95578 | [
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] | 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_1005960325163501447890281 | 10059603251635014478902816057513130583811439292242081866235875513629171689981500724997630527387394634720427732985194419154557717353001019070852688936987817 | 2025-04-16T18:49:16 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -66.541557 | [
[
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0.5447090268135071,
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[
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[
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[
-0.4527469873428345,
0.5457479953765869,
-0.1180350035... | [
[
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[
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4.8992228507995605
],
[
-6.164340496063232,
4.8992228507995605,
3.1733996868133545
]
] | true | null | null | null | null | null | 2.60085 | 1.205253 | null | CO_4635751612583110733115372 | 4635751612583110733115372422255682965049917620920124061944660827166151371507427021186586852033328500024001764492422340523570428939482852085242515729847057 | 5736049440800998111150179054223232912052872300114563259240455175185677307126343914204547763289302052288446810322815627310063909312732469528665842451726939 | [
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0
],
[
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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",
"Se"
] | [
0.4,
0.6
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49,
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49,
49,
49,
49,
49,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 20 | 2 | 0 | [
0,
0,
0
] | [
"data.074_set.000_20"
] | 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_1006153011260368742900253 | 10061530112603687429002532443728611825150776864070685624826601209982570967013971558669021108780931724225899744024669991453637423304827391632431196729354784 | 2025-04-16T22:03:29 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -71.203369 | [
[
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0.9628030061721802,
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[
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[
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0.7562260031700134,
0.33400699496269226
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[
-0.20440399646759033,
-0.37913501262664795,
-1.2557159... | [
[
4.354073524475098,
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[
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1.113134503364563
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[
1.61790132522583,
1.113134503364563,
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] | true | null | null | null | null | null | 1.327534 | 0.785269 | null | CO_1083753600848354748752256 | 10837536008483547487522562378024262270163801944283447127416184073680866413247198255858777187857972641226655233767790376502171692399130409484723925703481592 | 12700384513907120741133841258984472056323745850336599026461309035775795946825812046323741018671722598042366341365335965489379603596777930717377494624050098 | [
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[
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7.036317348480225,
0
],
[
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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",
"Se"
] | [
0.4,
0.6
] | [
49,
49,
49,
49,
49,
49,
49,
49,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 20 | 2 | 0 | [
0,
0,
0
] | [
"init.002_set.002_111"
] | 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_1006383752816371980257329 | 10063837528163719802573290443608386033657437705561523737153512332354189514585322006990448207370989007567645531693732435109023801654302887061946182467830523 | 2025-04-16T21:43:25 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -63.632065 | [
[
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[
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[
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[
0.0014390000142157078,
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-0.500415027... | [
[
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[
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],
[
-1.9609813690185547,
7.519909858703613,
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] | true | null | null | null | null | null | 2.323387 | 1.13856 | null | CO_5332700121750741402633610 | 5332700121750741402633610982022416641188958948578949044537698848776947493216257594899281057667495626709005012545520347620655839536253175292024753647108175 | 7210829668356752612116069332729201357343718784784742474260645391401662294274016403272679929437653946411524444870318089081078540812424874003617712652686917 | [
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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
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"In",
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] | [
0.4,
0.6
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49,
49,
49,
49,
49,
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49,
49,
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34,
34,
34,
34,
34,
34,
34,
34,
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34
] | 20 | 2 | 0 | [
0,
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] | [
"data.082_set.000_19"
] | 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_1006459747159038318101103 | 10064597471590383181011039211459814137912562625315888397181364625793957600351689232688986076751884983691747090636990944203055787838217352307361281480894340 | 2025-04-16T15:45:08 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -67.193855 | [
[
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[
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[
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0.4365040063858032,
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[
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0.45232000946998596,
1.1727379560... | [
[
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[
1.2798726558685303,
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[
1.0236049890518188,
1.9818357229232788,
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] | true | null | null | null | null | null | 1.577391 | 0.894418 | null | CO_1218758085954213113175699 | 12187580859542131131756992003642554451326276320192373797495971918697131390771682900734064307124423002534993547714513448671902330251885379893732751334458761 | 4031062996716951498664258113701020430165759428904199275200156989412085680989048979263628140243184907195092267565417300571573101462149540978023107790581103 | [
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[
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[
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] | [
[
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[
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[
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[
4.410339832305908,
3.6837000846862793,
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... | [
true,
true,
true
] | In8Se12 | In2Se3 | A3B2 | [
"In",
"Se"
] | [
0.4,
0.6
] | [
49,
49,
49,
49,
49,
49,
49,
49,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 20 | 2 | 0 | [
0,
0,
0
] | [
"data.080_set.000_79"
] | 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_4965146740549498826286672 | 4965146740549498826286672406340319313533192986862341089492685466431965775218319939907626517613644906987085757630868053560792858032449545864665249925798032 | 2025-04-17T17:35:57 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -65.229469 | [
[
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0.8623980283737183,
0.9554319977760315
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[
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[
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[
-0.20990900695323944,
-0.34333598613739014,
0.27388700842... | [
[
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[
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[
1.0138835906982422,
2.420419216156006,
0.40737026929855347
]
] | true | null | null | null | null | null | 1.982419 | 1.087449 | null | CO_3055866908229794993207910 | 3055866908229794993207910109372459730283848031935706036609012891532731869893981234748531868696584486862298628141547914924121816207072148874379382447923385 | 8914007391780696041500979459958525903050447507577548794301362409581319449227924169756696360930464473391375032840834054119167808745923908131481265006564014 | [
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[
3.6940433979034424,
9.66189956665039,
0
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[
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20
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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",
"Se"
] | [
0.4,
0.6
] | [
49,
49,
49,
49,
49,
49,
49,
49,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 20 | 2 | 0 | [
0,
0,
0
] | [
"data.092_set.000_70"
] | 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_4967678733207998256877840 | 4967678733207998256877840107016631238154457794743051490195020145352187353203078398019985543717421638459216502180127983621311860284718828238319272720183762 | 2025-04-16T20:04:36 | DS_v4e6t79tt5xh_0 | 1 | VASP | DFT-PBE | -104.051369 | [
[
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0.1615920066833496,
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[
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[
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0.5148370265960693
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[
-0.3629109859466553,
0.1960889995098114,
0.2589040... | [
[
3.1973884105682373,
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[
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],
[
-0.7781180739402771,
0.041718512773513794,
9.988970756530762
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] | true | null | null | null | null | null | 1.698336 | 0.843596 | null | CO_6058212997772419990940230 | 6058212997772419990940230299768129121082490191434647043657659681691146080126074806454200037247854999758042024748311038793009031580066347067907854727846471 | 1964285013941218524533848234726403677000079272500793633046372930125081549164956583301338852736712588398212009786591519036737606662718558402532725119174159 | [
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[
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0
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[
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] | [
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[
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[
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[
2.6712100505828857,
3.873070001602173,
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[
... | [
true,
true,
true
] | In12Se18 | In2Se3 | A3B2 | [
"In",
"Se"
] | [
0.4,
0.6
] | [
49,
49,
49,
49,
49,
49,
49,
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49,
49,
34,
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34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 30 | 2 | 0 | [
0,
0,
0
] | [
"data.036_set.000_27",
"data.042_set.000_27"
] | 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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