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PO_1000880151943149432844612 | 10008801519431494328446124055222659563663937165216630615165394386293720034881619075857471404826373182313586711283165521562594855528013469475110200276622413 | 2025-04-16T16:43:24 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -31.397711 | [
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PO_1000854516656506744125849 | 10008545166565067441258490655145713748547251508882914784693029943576861562300040737345019614916764456061139906198323797408110354884151907317250791574687756 | 2025-04-16T16:31:52 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -23.249681 | [
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PO_1000887646390921103289714 | 10008876463909211032897141613231819868782703779439291893246603933780069437777767815407145502472333172949862458085802862896680219571252769138376640862993704 | 2025-04-16T16:30:52 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -30.83535 | [
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PO_1000874232314169663771168 | 10008742323141696637711687703212690677588635892513860099215273811125619516022465737827916447965531941363978516309347719450130504160176383544478672778016845 | 2025-04-16T15:42:55 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -31.553628 | [
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PO_1000885481582755131803410 | 1000885481582755131803410586732216676519801428674251387780597548538457600710254818521229551413106749514089028139153244689392633803244336573133794726758641 | 2025-04-16T15:43:58 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -13.990271 | [
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PO_1000805977572437950223864 | 10008059775724379502238648312800851670461300751376655135259025177776560935033623903515141465184500180572611786523113989867381995820797707140614403498384920 | 2025-04-16T15:18:37 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -64.284565 | [
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PO_1000820684304502730967861 | 10008206843045027309678612439407274416520457716070350135657901188833729996008624731597969674764763082722290864528947760598092449178998503545555551773752466 | 2025-04-16T16:42:47 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -27.710534 | [
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PO_1000861071392375720665297 | 10008610713923757206652972353740985844076915031430685644156870788446916821487675862835381773116141838606878478905232896197687718527978068153540320990718642 | 2025-04-16T15:43:48 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -16.63569 | [
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PO_1000877069807517759045518 | 10008770698075177590455182829880112177698029106823124923219664227191787930832404147263679721255620014868870588060539001580600098972933746807176598883637059 | 2025-04-16T15:43:22 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -14.779808 | [
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PO_1000828432780351357364338 | 10008284327803513573643388744294481535403098048708309327887552818632837037312223007295929216347982425743575686600110763894661853457177993109753765259206004 | 2025-04-16T16:47:26 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -5.492852 | [
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PO_1000872089556715386818338 | 10008720895567153868183389395471457579574668202160662663796860711616360926805208225918049678709612616008377086795689184466234363963452119865546912966175781 | 2025-04-16T15:23:14 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -106.77164 | [
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PO_1000844705517067036274926 | 10008447055170670362749264441937692366415374834884098577799932670020999864204195263933848973607262908082958327844786997816187087822993646850307874055398261 | 2025-04-16T15:42:59 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -10.836694 | [
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PO_1000899632944480895227607 | 1000899632944480895227607372335758836733618365698553178075434361549827587887201104672406722427998343827438667107284984538411806093840080849120850726863238 | 2025-04-16T15:43:44 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -24.367482 | [
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PO_1000844297466077996962249 | 10008442974660779969622490975955083963348168730920454279980980039608356789820045946929314240086277186219203303265874358324452147684898597561509314035610876 | 2025-04-16T16:43:24 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -31.826486 | [
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PO_1000872746750627710576126 | 10008727467506277105761262524306728703554482801405763391972594765606252718603527513087826666315296184876298002512710338101117527538715170297994837216610788 | 2025-04-16T15:43:10 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -23.094071 | [
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PO_1000863657093963565391255 | 10008636570939635653912557441119323836969610195128362773334368658848946978970472950090820668465034697274631249982340716910337215780982305292434121609506178 | 2025-04-16T15:18:29 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -21.331142 | [
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[
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PO_1000822527052922804783227 | 10008225270529228047832271616163145142030771977057704692253217433442386671211429309612802188209538243316512906943178437943024423108453223902746919250935510 | 2025-04-16T15:43:17 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -17.198983 | [
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[... | [
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PO_1000841427144473940450829 | 10008414271444739404508296219333861352921967933243284652699745152484280835406537015229703779362163276469613186563237321894275422830007978220767177206352937 | 2025-04-16T15:23:14 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -68.727334 | [
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PO_1000820969365656825975948 | 10008209693656568259759485217512026028259214429855567064038632354487420754076503120341087568959085257923830169032956287944089118100676088819961757138073822 | 2025-04-16T15:14:06 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -67.866404 | [
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PO_1000822780654494406361461 | 10008227806544944063614611202102354974023671148940267004703078487495676391021772510825612467299688332133496319868550703371098972494510571361635602496455995 | 2025-04-16T16:33:27 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -21.861017 | [
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PO_1000859240743378102150219 | 10008592407433781021502199502959620585295373014681257342823939801847261387033739793992023867128913418980335169228853540676520800630086796009811555287642992 | 2025-04-16T15:41:55 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -76.201626 | [
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PO_1000850565247132500594144 | 10008505652471325005941444229928241234410718667981796591595529701760170047315606121114358736790257835631952251707503990467186480709176001537723892608183909 | 2025-04-16T15:41:31 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -71.642995 | [
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PO_1000840141439759863936108 | 10008401414397598639361082759807829747466969460648710122519749352834403592129610021645591193424342461508375099623438557923803707921466778133106824748459161 | 2025-04-16T16:46:19 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -33.412798 | [
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PO_1000808699003690521609408 | 10008086990036905216094083273620210783400348856646751229908212067709212368101260796985253323286092306834392989477272273080878192690583722214645098511720822 | 2025-04-16T16:33:20 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -19.305681 | [
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PO_1000814392245732827234825 | 10008143922457328272348252107292402941450750065808824666120548794301909394377359010431764445100428738202936748338133344526333620936504707907802799627584327 | 2025-04-16T16:49:26 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -17.315971 | [
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PO_1000816542429369778069743 | 10008165424293697780697431863095998849003380615605455636095833882099782400934190378240732892881359582000211345010929419682384568854039079252549957905123767 | 2025-04-16T17:39:46 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -31.084648 | [
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PO_1000876942749517572729041 | 10008769427495175727290416297327317547133815511278496029550793934439497828849875897774588561059402223194020374530738269034533659952464862860066360672192169 | 2025-04-16T20:53:37 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -29.874542 | [
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PO_1000859558290249542381206 | 10008595582902495423812063414193205159716903678267625945665933265913412499978226763482421144531707481834523875207772507949805915736616286962336943539111465 | 2025-04-16T20:38:41 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -60.606564 | [
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PO_1000871713213897270316332 | 10008717132138972703163325169124402020056592981695691395717410272055763412095009861155760362014741799886816756425998617784921026786936423545364889681669423 | 2025-04-16T20:50:01 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -22.865848 | [
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PO_1000842397386334656088205 | 10008423973863346560882055003789429673044316224732761822843876252430142707803290191787820827310450470843189939024258016679346199929397147354577800142528143 | 2025-04-16T18:47:00 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -32.422021 | [
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PO_1000820853485694091412682 | 10008208534856940914126822548637882882408699091017056334777025980550820302759495586063865205990005846479410376991417279340440062589468478338732317408240734 | 2025-04-16T18:52:56 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -16.726731 | [
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PO_1000857713376654192181996 | 10008577133766541921819961054313805930598706900556341083551514644126462663504269933427458723089916860104686500172907791086877357748230690668811501810357802 | 2025-04-16T18:52:57 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -85.121297 | [
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PO_1000821549633351533258489 | 10008215496333515332584895827251197641479138188195804884719788403392573982808128929402887498199443836467692451568655633245690144462358730463523607821665954 | 2025-04-16T21:09:01 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -13.30348 | [
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PO_1000820132168331137054507 | 1000820132168331137054507806636713527572806412006194209501442243765596496301542912870893591418417803606270363243654581725727645996259065463637464303982154 | 2025-04-16T21:09:01 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -43.770566 | [
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[
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PO_1000870913153013279725963 | 10008709131530132797259639575741948714262635688670155055745622225625313734475105244730148829633865737023738329307406358544975594669771527061032973961254406 | 2025-04-16T18:52:40 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -68.616613 | [
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PO_1000851783180742709949061 | 10008517831807427099490616134064101392489491463736611435555308827505582920111254258551252174258478994935664333679493796721001405228832224551267939221786882 | 2025-04-16T18:55:10 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -97.297734 | [
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PO_1000897989515488754573679 | 10008979895154887545736793239915455488561194897599131980397519299803238439812538558413442646672420132354250053503813902714888497672586632270719547642604535 | 2025-04-16T18:54:19 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -20.509198 | [
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PO_1000892291856711542525764 | 10008922918567115425257645131616015693533646741885055870985898293324615889066159552156087827074238585007415158359498310862822914263576267347664835406089171 | 2025-04-16T20:47:45 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -82.993969 | [
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PO_1000842680541387303852577 | 10008426805413873038525774908591330157471361387944092721797515539047545545775594837979028326423870413554354154003285484265715994609312332386328665114580048 | 2025-04-16T18:52:13 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -82.412119 | [
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27,
27,
28,
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1,
1,
1
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PO_1000899318903105570715671 | 10008993189031055707156719041029859358139548356760005054148551066006767872515467183202392672956604390159874416116276715246552972285723541971181384403491749 | 2025-04-16T18:55:10 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -38.664298 | [
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true
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0.5,
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67,
67,
67,
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68,
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21
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1,
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1
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PO_1000814705761943701798884 | 10008147057619437017988846826076367779436158311337541107367677423520420801982380722405353013176180777010492411922194050545363880011343178140924085011462457 | 2025-04-16T18:46:38 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -33.406771 | [
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[
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true,
true
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0.2,
0.6,
0.2
] | [
91,
91,
91,
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82
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1,
1,
1
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PO_1000863586311350027063410 | 10008635863113500270634106763009630941574336131925390676155330652598524169192944389688044296693903975056489907533672525769562171068048304786837195791894233 | 2025-04-16T18:52:13 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -62.777671 | [
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[
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[
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true,
true
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0.2
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25,
25,
34,
34,
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8
] | 10 | 3 | 3 | [
1,
1,
1
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PO_1000849808707650471399058 | 10008498087076504713990585388351607656689244696666834787263395382587195297952412382360536978999798531083867856168707138244870002811829482056509019446525321 | 2025-04-16T18:44:29 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -17.014661 | [
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[
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true,
true
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0.2,
0.2,
0.4,
0.2
] | [
52,
15,
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35,
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] | 5 | 4 | 3 | [
1,
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1
] | [
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] | null | data/MD/2103/MD_8335841394835150762012103.json | null | null | null | {"input": "From the publication: 1. Version 54 of pseudopoentials provided by VASP were used, rather than the legacy PBE MPRelaxSet defaults. The Yb_3 and W_sv pseudopotentials were used for Yb and W to account for changes between version 52 and 54 of VASP PBE pseudopotentials. 2. All calculations were done with the AL... |
PO_1000814481175248190228076 | 10008144811752481902280762304720767864933038938867168845930695083413975291131728901975738705555864313640751653517577292681235899360570117902054007940643851 | 2025-04-16T18:48:00 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -17.770505 | [
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[
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[
... | [
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true,
true
] | Ba2Cu2Nb2 | BaCuNb | ABC | [
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56,
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41,
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29
] | 6 | 3 | 3 | [
1,
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1
] | [
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] | null | data/MD/2103/MD_8335841394835150762012103.json | null | null | null | {"input": "From the publication: 1. Version 54 of pseudopoentials provided by VASP were used, rather than the legacy PBE MPRelaxSet defaults. The Yb_3 and W_sv pseudopotentials were used for Yb and W to account for changes between version 52 and 54 of VASP PBE pseudopotentials. 2. All calculations were done with the AL... |
PO_1000880873887883554757938 | 1000880873887883554757938299338528385488342697887845297021164430066964815534254805820585725954174757076957198713773422269664710536876886348848211654118145 | 2025-04-16T18:49:22 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -23.189529 | [
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] | false | null | null | null | null | null | 1.226757 | 0.818527 | null | CO_8953567058290580792567660 | 8953567058290580792567660859669822341803365811818067445538885730604336225481120158856651053761058831612074017630524889417663836541700316413948517680489659 | 10312758285159188062243051246490444770434617018836087130615686663368312519379721819444931692788799039581137002470669999275805489846789846776097272157668854 | [
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] | [
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] | [
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true,
true
] | As2BaMo | As2BaMo | A2BC | [
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] | [
0.5,
0.25,
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] | [
56,
42,
33,
33
] | 4 | 3 | 3 | [
1,
1,
1
] | [
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] | null | data/MD/2103/MD_8335841394835150762012103.json | null | null | null | {"input": "From the publication: 1. Version 54 of pseudopoentials provided by VASP were used, rather than the legacy PBE MPRelaxSet defaults. The Yb_3 and W_sv pseudopotentials were used for Yb and W to account for changes between version 52 and 54 of VASP PBE pseudopotentials. 2. All calculations were done with the AL... |
PO_1000897299766670573494695 | 10008972997666705734946957059797708160100370124497901500024041698219611681592051724229379841551292801622199126383174440536361385066372307858908087144720129 | 2025-04-16T18:55:10 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -43.351537 | [
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[
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[
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] | false | null | null | null | null | null | 1.878914 | 0.811307 | null | CO_4172753002397227471975331 | 4172753002397227471975331054855986466051335031568547733507810653844244965591718536679456970602436083141212012225354412089882577318570251933306453187703750 | 10747791155663121829015288416339948219994819618622247459893516430167495467969190835547918559805368744222002773248940727547967928272066054831742505017024592 | [
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[
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] | [
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... | [
true,
true,
true
] | La3Nd2Ru2 | La3Nd2Ru2 | A3B2C2 | [
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] | [
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] | [
57,
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57,
60,
60,
44,
44
] | 7 | 3 | 3 | [
1,
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PO_1000870205548259928510213 | 10008702055482599285102135325528232838562852414679660488532060979739021297879968803204640015188165522128837344752586389896442514733657757905588748341597538 | 2025-04-16T18:52:09 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -149.120992 | [
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PO_1000879026325949969476813 | 1000879026325949969476813973167368714860173815837370005235150012625479250032422465120879197156454820869380208169477247687735399752492802669991628545162651 | 2025-04-16T18:54:58 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -41.60092 | [
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PO_1000827434690574693233547 | 100082743469057469323354702352178022497031416556472179285513365319115658154441926842892724121165146113335511040388501467947329440100193219747827081056389 | 2025-04-16T18:45:21 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -19.605428 | [
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PO_1000867948793360261012361 | 10008679487933602610123616479513331520014962303063055532153487812232138022430126121937227311987721759412197744887882098127164216350203676666491275965200769 | 2025-04-16T20:51:28 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -12.079839 | [
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PO_1000854422731549089379420 | 10008544227315490893794203656920444267152522774271093505056108758884140401575281948583380454621226949435696013741268812546663789916685167095970564826065949 | 2025-04-16T16:45:12 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -43.156759 | [
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PO_1000847610923597225722209 | 10008476109235972257222091526873034529071520839373303504654110579397126452397709400574197079614581510534758713338495908734479287495693717145272593068218902 | 2025-04-16T18:33:37 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -18.261207 | [
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PO_1000888480413195928966012 | 10008884804131959289660121737892059044394799035058563796002895105116408918490923999103743142635821041046498074823814160068955695894220885150148808666445272 | 2025-04-16T17:26:48 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -34.021858 | [
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PO_1000802228512348541783432 | 10008022285123485417834321875885267603580455524452040818950695884413490052012601457077127782151313924679055150102766749562524652208427581904413825823040283 | 2025-04-16T17:24:20 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -15.585585 | [
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PO_1000871442017564426983566 | 10008714420175644269835668015404548004784455682186061751787793222059487611102270969270117378357101977211232517992861612857375156407508564236910563978059916 | 2025-04-16T18:33:20 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -21.607855 | [
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PO_1000817251311949251190714 | 10008172513119492511907144052510605142090029757486478844829299329926655313643241264744911274592562909016527739302614303640428620210820132538617977623296533 | 2025-04-16T20:11:48 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -11.079807 | [
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PO_1000849896626014782696319 | 10008498966260147826963190795915784580344853196973461486272439562989101337040755842479896408705663306278859856889327705501373602126257162862451300122649621 | 2025-04-16T18:30:08 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -8.45728 | [
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PO_1000805662014050339649565 | 10008056620140503396495654866916381463472085881666036801906706988610000680436891771826192492303227564586817351839939608249862458584032346445081755650980124 | 2025-04-16T21:27:46 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -12.897043 | [
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PO_1000838100590836685252744 | 10008381005908366852527444333759431778370166713720793243135837333048720807819200817957956882161627724955504856603009139187811235391597949476767310886627850 | 2025-04-16T18:27:12 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -12.219326 | [
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] | H3CdSb | CdH3Sb | A3BC | [
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] | null | data/MD/2103/MD_8335841394835150762012103.json | null | null | null | {"input": "From the publication: 1. Version 54 of pseudopoentials provided by VASP were used, rather than the legacy PBE MPRelaxSet defaults. The Yb_3 and W_sv pseudopotentials were used for Yb and W to account for changes between version 52 and 54 of VASP PBE pseudopotentials. 2. All calculations were done with the AL... |
PO_1000893353671002772118678 | 1000893353671002772118678190791764054179993759086192781864739089689093169966208272999636210972449456499173939544292645141261718408119808778709051790658385 | 2025-04-16T18:31:06 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -29.464673 | [
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PO_1000872055906598758540968 | 10008720559065987585409684566636172491385557107922102664912504075263373817719304990090710135703714181128015815155541404638937959781592542694328009306431549 | 2025-04-16T18:30:26 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -18.724316 | [
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PO_1000836247991733918496464 | 10008362479917339184964647489311845777523206131050048962509912032844597088017570646281101621896135903193384782819545492599275224851418212358501444554913143 | 2025-04-16T20:21:55 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -18.611066 | [
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PO_1000843789008054603501948 | 10008437890080546035019485108974569706696171693962790192923909267321374977656702114004228961084223159406985838861152025949964776397244361413068119594940506 | 2025-04-16T20:21:55 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -14.324397 | [
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PO_1000811830717441852305611 | 10008118307174418523056113034067519747778499308977172212752065506600018114828732210263349213386745522466224255785544179000461034807943677734633824420195029 | 2025-04-16T18:32:22 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -37.652011 | [
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PO_1000831892366316988963319 | 10008318923663169889633190210552940049209121980806150683562494624481130736270018465783516372778541615208720507700956795036745674194384496275087710152298769 | 2025-04-16T20:04:30 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -84.077311 | [
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PO_1000823186972208217085747 | 10008231869722082170857478093144069221501284009982345372374061135281300835281252449933844969877814173108289063367062152595647940355149121693723324932915249 | 2025-04-16T17:26:47 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -37.343467 | [
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PO_1000821100971198698933616 | 10008211009711986989336166894638267881417043589279438736958290270467648641673492451667280608130565098597204912562947466916187688009536083636332895818770704 | 2025-04-16T17:29:32 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -6.178367 | [
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PO_1000891873978200106066976 | 10008918739782001060669768556469038692332817225664667857342818691513090739383761819676596996789307066234933005032811811335057369630862822100964619034706443 | 2025-04-16T20:19:31 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -12.302032 | [
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PO_1000806771738913793105810 | 10008067717389137931058108804027656913642619588313772346519817030939807752315661066237876931464112034282154135215675687614265120174002726816085346619395532 | 2025-04-16T18:31:36 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -121.267004 | [
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PO_1000889043514090308507332 | 10008890435140903085073329774791833235904259272583793995657460039423727878168025230432196660162593417984207338480322079153763254148376219328574509869192255 | 2025-04-16T20:14:25 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -34.869327 | [
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PO_1000810773682701222873762 | 10008107736827012228737628058320915474293040684182778597251707430490215299149671612470212241045559977032702943996871590962980737334043147624780974041828888 | 2025-04-16T18:31:36 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -16.885415 | [
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PO_1000830560987709303721403 | 10008305609877093037214030579974853831226583758355484914245440800049106614189697564736715099403411071628109119023398203652106088073039416179865528681035440 | 2025-04-16T20:11:48 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -40.151489 | [
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PO_1000830160080482283538158 | 10008301600804822835381580549684336419300908676356710024131445426354718951415803980948494965285957823668742568297598475305194975200440340517024477333470497 | 2025-04-16T20:11:54 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -12.754056 | [
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PO_1000853504795363587360834 | 1000853504795363587360834919403951657515595420820414592696308793414140465215490013349429710996875237487824314887294494617358623723154291180820344575071098 | 2025-04-16T20:19:21 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -43.660088 | [
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PO_1000878053647808894001531 | 10008780536478088940015318753452441044103465232039675641589166184423175051228238831271732489036921724374924368714417954777649814171950645567743690534068019 | 2025-04-16T21:30:02 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -18.023277 | [
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PO_1000888480627397425798100 | 10008884806273974257981009773396095126209154861639588546801935450301424638064275414169649919506437537251690641773984889009233411711300545884084112181575152 | 2025-04-16T18:30:57 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -79.419704 | [
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PO_1000862473807657358344732 | 10008624738076573583447321249493429273629205290117769048669774625959565124296041379232879013499789512249900123050081513201356992077348083161209648383782214 | 2025-04-16T21:21:56 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -30.23232 | [
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PO_1000893427059935550297429 | 10008934270599355502974290434236462197422342235041130733042537837643582208931711276022364917332342513223572131706506025323756496040032251222838047043865119 | 2025-04-16T21:29:37 | DS_jqrkc9e7cgmh_0 | 1 | VASP | PBE+U | -54.970493 | [
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