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PO_1000110973434963604260852 | 1000110973434963604260852682743494219745430665112613211483284368064027049069615243804125027773692189521167473380194192187373274828598937380383556582846479 | 2025-04-16T18:08:56 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -10.219808 | [
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PO_1000585343842537824379571 | 10005853438425378243795717159311812457253626024417535001841078735137631468942189292205882391212317399563854514556558545883037480353639535343146692106659714 | 2025-04-16T16:08:23 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -86.78434 | [
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PO_1002503245595829270330372 | 10025032455958292703303725131616526686263859072264304705462971437504587255024320904969269954051658918269317555018335120540011226646456764483346738125255003 | 2025-04-16T17:19:02 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -43.014404 | [
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PO_4909205689852332965651664 | 4909205689852332965651664681966681148118575615748871687843142897601307917041825502776946264570863092514954057134678089163350517970571779476006218605472096 | 2025-04-16T21:43:16 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -83.954468 | [
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PO_4909300891723817304423301 | 4909300891723817304423301813060609730104130163302353633095787814335651596956311562147964624301892772190675389915578522760658214647492222964219250734703873 | 2025-04-16T15:43:08 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -86.639198 | [
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PO_4913250004801943343556164 | 4913250004801943343556164007906820685070795343458968960044361499105513614533406021590552592669566884106205345616752081812488424323201886915657549852662509 | 2025-04-17T18:48:22 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -86.78775 | [
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PO_4915866852301166497458384 | 4915866852301166497458384651515788037555479134984548381472839189715872861954841130244937757618909597004850447065145187776914620552688289035554520966917818 | 2025-04-16T20:10:51 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -41.966549 | [
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PO_4914616475892426162379551 | 4914616475892426162379551648584302161389846727921228734011153735817755451802185636026557460273200312875045993571828044746331126167461396999478303178498071 | 2025-04-16T17:29:32 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -43.299015 | [
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[
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PO_4917496990591654571308747 | 491749699059165457130874775128170414011961198885517346267408439812241238165186625208332746910598356428540752456977738230783927811530804317054431572241271 | 2025-04-16T15:43:22 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -41.084213 | [
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[
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PO_4917250171224590965803970 | 4917250171224590965803970975882786146419993316314650294777554802057353918254078478630252164313029168234151705398734607654028645765538187459678454218766447 | 2025-04-16T17:25:54 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -43.2267 | [
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0.0... | [] | null | null | null | null | null | null | 0.311508 | 0.152584 | null | CO_1109232131553042351562279 | 11092321315530423515622795876621136911460082263842898398497260612377608809577988492365484265150427828343980309630571432832652851685387363431937008897038983 | 4547102416135896041233089461869663574351377661444668352525453965039219008231582224643861260838557338860650745209384860345735768984495233923247377178455365 | [
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PO_4916463148470016849785315 | 4916463148470016849785315078873055385147385929443048292412428900858385561439060011452560180385717825615610159916357272750764992105787420962223280836009534 | 2025-04-16T16:03:49 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -36.975002 | [
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PO_4922924488445374886824081 | 4922924488445374886824081398229663599880443217430661144306275077894605479761478321993089730482375389473212573322039707120778428126440851992162881094882682 | 2025-04-16T18:47:30 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -43.303402 | [
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PO_4928943941936110194250448 | 492894394193611019425044823049149777949754824640508390722154760880992244568043156711295849115801491760828014046059058818700711000672702555561124961104502 | 2025-04-16T19:57:19 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -42.92091 | [
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PO_1003326784156747351297104 | 10033267841567473512971047674831745289673377888108860738697086703633442414849372708294566736514186406119424751101847318283581819524678583660213099147661963 | 2025-04-16T20:32:46 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -86.705009 | [
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PO_1003880205763096805362152 | 10038802057630968053621520409511289760200107984344234634097234462672258003050861359235884537315942489435837347809432793641952709151521128711693856558254758 | 2025-04-16T21:09:01 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -4.864397 | [
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PO_1004828407460220839978745 | 1004828407460220839978745668736789601350243420041117383055036134005976929315099280537887137412397236420160682249324571129090046084194102449014263675143579 | 2025-04-17T18:37:27 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -86.571548 | [
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PO_1005770436138098289388355 | 10057704361380982893883558213941823741418564038740541365669586221662913903362793489302776867964754584313974698447312763990176043344502153654210309688031951 | 2025-04-16T18:28:20 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -76.9217 | [
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PO_1005573892083592435213262 | 1005573892083592435213262299943102474550916433832008389006188066508564053176947086593421221588143229275892765563539247010198567084826818194968003647331269 | 2025-04-16T21:13:01 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -43.26416 | [
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PO_1005610739578531898140437 | 10056107395785318981404379819104915166913648441871450672104813236384429396810501081389647167011384910374212194672701053149163825393766945749296632787552891 | 2025-04-16T20:14:25 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -41.271015 | [
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PO_1005605381693203090032262 | 10056053816932030900322621379531513365854275607767907085670115720788212754787314929167052931646744619366893985733590287500754021331158174021469253844231779 | 2025-04-16T22:03:29 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -42.943844 | [
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PO_1005990983965381767042244 | 10059909839653817670422447834807406410831844211516171220820684494730506015658127741717625344448552083596563200832233540605178450741447148750632555410255548 | 2025-04-16T19:57:22 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -86.710968 | [
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PO_1006076563480742796293844 | 10060765634807427962938441838851791675775178268394681101889521084310169987328055817913637927494694004765040288369293121956991683349451313337529321771889888 | 2025-04-16T20:19:02 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -72.853973 | [
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[
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PO_1006316822272046713869356 | 10063168222720467138693562756481030513308665566239846910548774181372041876327702211141909632442266289807311391047597240023629324172025846768420284483100076 | 2025-04-16T21:43:25 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -43.331123 | [
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[
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PO_1006267217465734172591752 | 10062672174657341725917523470505374931485844209057697357291453010648081957925420943787816635990405119790547232515068982788425555005489343263582131001264447 | 2025-04-16T16:55:24 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -43.267315 | [
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[
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PO_1006423582407559923419463 | 10064235824075599234194639178622875233880529083673231804572330834938427123375585206100230420473647270778669603013401623545003520789263113163641636809100592 | 2025-04-16T20:41:25 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -42.999565 | [
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[
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[
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PO_4932833594021322651702814 | 4932833594021322651702814637151387519762365381827571985244113116477463488538119577473081639206998893782933574829084103371134768717896910152399540380508319 | 2025-04-16T18:14:37 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -86.654793 | [
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[
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PO_4944287528021047025089445 | 4944287528021047025089445420981930072838640033609240080817169386672646184586670264993226418796666040113057249525647476744580636573724056839162893621771366 | 2025-04-16T20:20:45 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -43.282391 | [
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[
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PO_4940419524163987240200020 | 4940419524163987240200020040081026993034790136437261126002921158884327539763337942307444519034309980694811895288427697121477818178340988727600484696180831 | 2025-04-16T20:14:53 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -42.462852 | [
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[
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... | [] | null | null | null | null | null | null | 0.096156 | 0.053173 | null | CO_4777665746456040144769478 | 4777665746456040144769478619365005544492597796365832331663769469754339312885498725109092922634101234226181732401056596468250733185744042443498087438111920 | 8719189778764674493673242380036256172179585007813249595814217411037191477504289231879857815609016958160240341270065040396387185262629661247979917235707713 | [
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[
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[... | [
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PO_4940707647336016977241952 | 4940707647336016977241952889825310391824332000071296428606416982594253120569882448584669243237936522104950888016591004031225217552082698076956243188853782 | 2025-04-16T18:52:56 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -42.417347 | [
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... | [
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PO_4946583960802687584479400 | 4946583960802687584479400552280789788640474632936191550920974869783696255188064337418847623480064166825818065248944321093955666455233424380169078872567828 | 2025-04-16T18:05:35 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -76.453949 | [
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[
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PO_4948703600062740587060188 | 4948703600062740587060188895577403328703220561038531706067668508426506921775937826162415872853704765887058271771953623491383002725270496591118762276145628 | 2025-04-16T17:27:48 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -43.327518 | [
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PO_4950489222717763552885990 | 4950489222717763552885990298068261905475706320455199620814573337408722294454403682078078613444845140500479681561639612705595656035546636196315566828010133 | 2025-04-16T18:30:27 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -36.225712 | [
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PO_4952680290432247108461697 | 4952680290432247108461697721236294999096495859052036965060338577828695946856095129916575108907338107581196288502574834816081342914156640354965555533264212 | 2025-04-16T21:38:17 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -42.955975 | [
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PO_4962363389968753863379098 | 4962363389968753863379098242199366375355615835200222228725450021104502425232229593739216675263095151608622611953412947932830913429884776453616863511846269 | 2025-04-16T19:01:02 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -43.173492 | [
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PO_4957660643109227260096121 | 4957660643109227260096121798995781462963261950107156336391815977196713719158989037381494445292567583687816540888673220678061415824962534466621608843005006 | 2025-04-16T17:54:59 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -32.930546 | [
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[
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PO_4958001736668197359904424 | 4958001736668197359904424491502925993790381864322429660342835223687815264483693566106407502859545541535680314490710316914676727577921571243304740764554387 | 2025-04-16T21:23:51 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -85.512672 | [
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PO_4969250560606075971362597 | 4969250560606075971362597867558637794714727743554745355398840067218823491797469256441033199855146806862906923133725041052625208007950016003375677350418639 | 2025-04-16T17:52:39 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -5.886262 | [
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PO_4969113857506853229825637 | 4969113857506853229825637298944421783983458721026834693586394813474817308204468105304745001562492709785835315585857061635174487301708081977381768395784580 | 2025-04-16T20:51:24 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -35.999134 | [
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[
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PO_4963740511541897024174928 | 4963740511541897024174928560568212455791752760670288249537918318179534198374146368866175536950894581215825978351657895579071379983919649915808642089256696 | 2025-04-16T16:26:23 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -18.797207 | [
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PO_4961290343245752831675315 | 4961290343245752831675315900664254866636509649691703987527487314606980449144779363948334227801261478351542270988403963075422462084620899801305253739474885 | 2025-04-16T20:28:32 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -86.770027 | [
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PO_4961884412812544019426986 | 4961884412812544019426986021087079263132267617230639074274105791000234005502546356692803161224067629612599925312258525491510632361783115444811065432051415 | 2025-04-16T20:16:40 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -40.993423 | [
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[
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PO_4970277618328106396895040 | 4970277618328106396895040366568579512489602895869505595102534201629357886265502139245013305361404397712442070021123619705506209148035394137797510814393521 | 2025-04-16T15:14:06 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -36.623146 | [
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[
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4970532974410587673035046 | 4970532974410587673035046917780917963685568822064053063439131820326645479764166298300357088361894322852611396306832956335584615431185769476404974101340988 | 2025-04-16T19:01:02 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -43.361572 | [
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[
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4971089571147784225344702 | 497108957114778422534470246034393974411863856624494415270452929395007049257175675616552917663868086005669058672871235775602062727269004492264777210560405 | 2025-04-16T20:41:37 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -80.338242 | [
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[
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4971778281734910268678837 | 497177828173491026867883764862498790450526775001375609236195935453922392238352003811495159696978623726068156533798529465425123346089103251075447003858287 | 2025-04-16T15:42:56 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | 10.147282 | [
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] | true | null | null | null | null | null | 1.193203 | 0.821705 | null | CO_1231496930703019218558249 | 12314969307030192185582499122687032526252065271341752096745007096732332224538986435231609424137896808889762727412866967995334341771251532019401700822767926 | 5724068753026348884870725728574818154725816407205320274610683754414147177958066854370643074359500975403996623878010237655328778590588711118672865535994698 | [
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[
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PO_4978776433013069897147841 | 4978776433013069897147841093846390335860081329249212879162607172220962478361501388530337398408716824135498128356760075783588030758233040754640062928748856 | 2025-04-16T21:14:40 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -38.778084 | [
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[
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[
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PO_4980087753157973472300545 | 4980087753157973472300545208052672645465456368881251307346981022268801609940675160922206525471649896741152948495608954612792503559546778909187872644362194 | 2025-04-16T18:24:30 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -42.919411 | [
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[
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PO_1007734230382181776476506 | 10077342303821817764765064918927088251855114226167289826341692746866931784291338637449986337875950855247245968527893203311414624347534822286924800978547870 | 2025-04-16T16:41:55 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -42.926006 | [
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[
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[
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[... | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1007783024703212813461359 | 10077830247032128134613591728670493220656138034381874322871136099913508152151210500171326105296725755488737485142674102268333942771396268115013570260465483 | 2025-04-16T19:07:41 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -10.170457 | [
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[
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[
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47,
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47,
47,
47
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0,
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1008029837834310118995345 | 10080298378343101189953453808171580195394518682057460780501720254626023101320461666487128189691600434660770612398114602041780600615695444839267039643166274 | 2025-04-16T21:21:56 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -42.757999 | [
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[
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[
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[
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1008012834695034680548873 | 10080128346950346805488738676549383179247794266252399507960890141656777737041259739428672370751692163732461296535020109023430967444836815453922931307344470 | 2025-04-16T15:44:21 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -43.310852 | [
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[
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... | [] | null | null | null | null | null | null | 0.122346 | 0.067099 | null | CO_2229967582945487544651911 | 2229967582945487544651911235350176766399696566390590268811340864561024438448289343962432365524005351294283248238906858513719211023053693636334728144471571 | 18326699834293584667681648771894718538363422420531410935125904270572529102022064338401911001463528648005740989855763430724931570211039973387848674224671 | [
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[
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[
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... | [
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1
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47,
47,
47,
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47,
47,
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] | 16 | 1 | 0 | [
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] | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1007902523228491382235673 | 10079025232284913822356731990975539424925771651979965065515099442698376880391949205370366274085278991680423753498879388231986060208055462973870855949101875 | 2025-04-16T18:11:21 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -43.329891 | [
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[
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[
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... | [
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47,
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1008359993823676383962941 | 10083599938236763839629414032913210155846993580269218803554591187504884154317275924741376646296929126958154787380336144915921794660179740103125585058189727 | 2025-04-16T16:07:10 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -84.322037 | [
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[
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] | true | null | null | null | null | null | 2.024185 | 0.786877 | null | CO_1303543707423022278323275 | 13035437074230222783232757484900265086145288253661321075519883718593461801559328470120446661966284297132832222730625133255474081173380572560735590893157746 | 8243515431669115693323309695933010806080986003685094934099944274819274287378034316990930695177205154011640885794145243546311251107127446631407493509180959 | [
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[
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0
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[
7.000000135093387e-9,
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[
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[
2.0819900035858154,
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4.345379829406738
],
... | [
true,
true,
true
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"Ag"
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1
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47,
47,
47,
47,
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47,
47,
47
] | 32 | 1 | 0 | [
0,
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0
] | [
"data.000_set.000_18"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1008387290053562624980606 | 10083872900535626249806062117057706343016136573608446280170448528686413855301364880940473623711840518794771419757012018171850669046188474788744789084240566 | 2025-04-16T21:13:01 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -84.129646 | [
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[
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[
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1.2970284223556519
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[
2.269069194793701,
1.2970284223556519,
3.8532874584198
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] | true | null | null | null | null | null | 1.631991 | 0.800765 | null | CO_4879119357417506355561824 | 4879119357417506355561824343127185372821880227626695441351488608285554023158330139025210035807076316653707591293533434546148770413848061779444242218412412 | 10723545174025428826106887363579707987143123462581322303479546565042826410415136444906385468727814167451766922647807619605410928430024995032506319840951183 | [
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[
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[
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... | [
true,
true,
true
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"Ag"
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1
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47,
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47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47
] | 32 | 1 | 0 | [
0,
0,
0
] | [
"data.000_set.000_99"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1008480556967187566042875 | 10084805569671875660428756535119512657512150188899105548559233952793891658237513733687848249362148245469478661373355120661544174616058917336900457039493282 | 2025-04-16T15:45:08 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -43.299572 | [
[
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[
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[
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[
0.0937189981341362,
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0.08... | [] | null | null | null | null | null | null | 0.170157 | 0.098881 | null | CO_5765930250350706616270117 | 5765930250350706616270117171088467342895213333532106712736363221721703138319537932965166410435009640887273786535317815588592836022171532161896712569459375 | 11250475217952798827637381660108198085056558028126159514011841509008827521835384899118909369223583833521286406577823202757325000636026555035905468018419537 | [
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[
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0
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[
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[
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[
4.347370147705078,
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[
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[
2.680569887161255,
0.047970000654459,
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[
... | [
true,
true,
true
] | Ag16 | Ag | A | [
"Ag"
] | [
1
] | [
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47
] | 16 | 1 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_206"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1008410515944798760068713 | 10084105159447987600687136347634362018241444670867574808485128606471963728463658563912483330180795911944262514636110873888138684478741109147967199916238564 | 2025-04-16T18:05:35 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -24.127331 | [
[
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[
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0.3062649965286255
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[
0.11718399822711945,
0.14290300011634827,
-0.29322... | [
[
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[
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],
[
1.539910912513733,
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]
] | true | null | null | null | null | null | 0.972619 | 0.488044 | null | CO_2660725503592909491022353 | 2660725503592909491022353016965660154398202418043783505304306163065555002595329027868568021960197713159944048713044812546659834158430328273210238776486920 | 6917727618288467123916099101848743817369739606882096816655970969537940334690197044150564967091572486390989047064625470854534189145518454376466211547154414 | [
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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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6.226109981536865,
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[
2.4... | [
true,
true,
true
] | Ag16 | Ag | A | [
"Ag"
] | [
1
] | [
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47
] | 16 | 1 | 0 | [
0,
0,
0
] | [
"data.016_set.000_38"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1008535694628245241819940 | 10085356946282452418199401144062563110759142198044163695833196029081565490772009947473646654189642945952409145304186190947230805487875704111850975286288107 | 2025-04-16T17:13:10 | DS_6e5ljaqa3cfr_0 | 1 | VASP | DFT-PBE-D3 | -36.785744 | [
[
0.6497210264205933,
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[
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[
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[
3.20271897315979,
3.0447659492492676,
3.67587590217... | [
[
3.400136947631836,
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[
0.35284605622291565,
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1.5619640350341797
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[
5.885365962982178,
1.5619640350341797,
4.038873672485352
]
] | true | null | null | null | null | null | 5.748049 | 1.726597 | null | CO_9849195216815664472766729 | 9849195216815664472766729583499705085525585643461742591658924728268427267294674416257030432216505822579788372146839867400494257636192240629568027852774746 | 11949050800193377532735438203269371986783974415169625070180832603717347875218064498828642261088117601378792354378657225452691468772944278528256896426262077 | [
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[
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0
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[
0.10448938608169556,
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] | [
[
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[
5.485050201416016,
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[
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],
[
4.771289825439453,
4.402299880981445,
4.504980087280273
],
[
... | [
true,
true,
true
] | Ag16 | Ag | A | [
"Ag"
] | [
1
] | [
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47
] | 16 | 1 | 0 | [
0,
0,
0
] | [
"data.022_set.000_17"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
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