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7... | 80 | 4 | 0 | [
0,
0,
0
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"omdbv1_5278"
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PO_1002128721450049782506717 | 10021287214500497825067172472225147855597611182028813839288942054383560896168906283613702126342934904528234737395653044338970878080152479912967519346314269 | 2025-04-16T21:23:51 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.891216 | unknown | null | null | null | null | null | null | CO_2255325814542764582791945 | 2255325814542764582791945112416232640641659273935009142564228578683595056603418927259246778966610596019905672198371965980585099222413692783811896947321199 | 9030825955417842774090225838210902665596063342459087134980703775029784655256463465374111023147353876396433891370026509052965206612992483729360989012363175 | [
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[
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true,
true
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0.07142857142857142,
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PO_1002385698762898104084170 | 10023856987628981040841705430843315828298462486953429897294689176542783587046183361728598016175021404488604649780670761345948942552300435795520432638663529 | 2025-04-16T18:07:53 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 1.073245 | unknown | null | null | null | null | null | null | CO_5535213658761275979105182 | 5535213658761275979105182788284839379722061838287457842952946290630671089768427812569491977490037427188481709623794627161907482184687477205194514208981638 | 12568445709301499585220275920250266164717940018978947956691265989207849426431849904988751061298418240477032874259876438436669489580177631574177345720698947 | [
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[
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true,
true,
true
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PO_1002453825370630124913687 | 10024538253706301249136870235570533522497165393173387376825670124553489064710194143114688128536115595716139607366045285476489980520117679201523634545624763 | 2025-04-16T18:46:38 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.972743 | unknown | null | null | null | null | null | null | CO_2887123640185351912540927 | 2887123640185351912540927366849515486187610738663114014794979476867988745974911283929534204007163605002888023464948175185587361671366080115236697303038999 | 206251294778853598754846623213148562496827153165954561441245424001919405418241640673585890495363026789924947215460316811434755915836221340300016094547004 | [
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PO_1000028528277611433118731 | 10000285282776114331187314626422026982275702428506824223293809147388399884500118711275713924341176759833356226685517832661522350659303709768895176427404287 | 2025-04-16T15:45:08 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.5322 | unknown | null | null | null | null | null | null | CO_2840803555677324990475328 | 2840803555677324990475328542855191918776378072726314362641854934686018198191820171563984078106216036640593891490097393047662307751073045252733594624995486 | 10906208955379464189784281669915663796380866757383420913414246003700363394328473758265354362690066319176057673590077933302074290352642333970304898928790484 | [
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true,
true
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8.36... | [
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PO_1000227224654398572193604 | 10002272246543985721936040496543239411613372364042450853901003226582368482333290045865518267770048951368285201336918589245313417330916051255632565901675817 | 2025-04-16T18:54:58 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 4.014327 | unknown | null | null | null | null | null | null | CO_1179542779122891823956706 | 11795427791228918239567061101044068625311449665816397903731633113946964289521464491957226341149453681259371768225592009905535620875605504500582968938484611 | 10111251646730623744692372567046321014484250735279960775610692135493905013450777606455384280473956702120812213046163761736047754629092052263251505425399340 | [
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[
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true,
true,
true
] | C24H60Al3K3 | AlC8H20K | A20B8CD | [
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PO_4920934310130400442240730 | 4920934310130400442240730365764359685798830781710848399661983411258888800377221113804841871673032084194772651170676677710320890844426139076692399963418367 | 2025-04-16T16:24:36 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.456164 | unknown | null | null | null | null | null | null | CO_8714749152060835519008608 | 871474915206083551900860850945999956874603593878647040575879629173825219004196563162489132755285504814300342353306731027730979493456999790505732834012695 | 4318026588154242878112464824600865107630601283099584618419180668066888618891378597843474152217782722962369754328149510766658496404984460618958368988811779 | [
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PO_4923116059592994659761826 | 4923116059592994659761826142595342032600039757513906020955616151280843450294358055103197140170070604906186444225496373453859679638178250370902535162069637 | 2025-04-16T16:30:02 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 1.770996 | unknown | null | null | null | null | null | null | CO_2425884556444625896326377 | 2425884556444625896326377187973082330109527631262444236571305070849178864443269213098618499134177569048579654469933993294641447438723774742546698686065313 | 8971587581367802213770659287318089507391680686817705528418594127699052554271198796727752238372096231610210401358118818914444052750477545849455664165150282 | [
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0,
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PO_4928914505320936829941269 | 4928914505320936829941269069540238716188685276551747041874146802484083542350714900533578903449084659263217228928269901300469580410714317596124952437363942 | 2025-04-16T15:44:29 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.309696 | unknown | null | null | null | null | null | null | CO_1289539815245639020070279 | 12895398152456390200702792074001781381709188442145624230910740513747455912975265549504985772352168677942379421102503472759521044182490556328834365477575382 | 6270627850884469270077832619348449422964272000105345380364730333273667320220539347119720629272019038969676077283965765040725998292141570494812432038124100 | [
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[
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1.76... | [
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true,
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PO_4928666238419142565571074 | 4928666238419142565571074278058913267794034037647398453361536300144153176159230713814536909512928261751462872867499666416915080037296720237657059424005733 | 2025-04-16T21:57:13 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.143957 | unknown | null | null | null | null | null | null | CO_6963285927038348886627254 | 6963285927038348886627254489395270636741615943619613082952776892804802925715782675875669064611482430120639370871602605516947454390974359096809056150349542 | 5460322606335632057474565029176046671529626248043746788749268828637517662815017091963454824509223538974138857556201502867682053219343753104110582829699340 | [
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[
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PO_4938239209836333261040056 | 4938239209836333261040056108970181381690637081018450176381844936508698936815274924594960248538816778052622814931683718850266951998907290774444726246425632 | 2025-04-16T22:04:30 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 5.820253 | unknown | null | null | null | null | null | null | CO_2540311934506394425734460 | 2540311934506394425734460996770540276541186604987143050867715920224147536186437165456262858443889842694754606788985744663340837194175230771511612712878183 | 10495932748996036990679791546440251639929952203357534115594074769435872146759241832667709812414733422712609423990722914492315664389572302322991614821389165 | [
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PO_4933732990927687048372114 | 4933732990927687048372114986656392639235728571713319730142924989541447301654671650660762300512584822499954284266319859074361724014523760846437828225345090 | 2025-04-16T16:49:28 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.122796 | unknown | null | null | null | null | null | null | CO_4603780841187972911592908 | 4603780841187972911592908828948610496869363717371252962026346301833754808413010836274893075139109108583529266028524560050545029233232919352639381756612694 | 3099624276219930347384580047841645644658225088992610438248239324580516233775097826940588001573777864200306629209315457890731583032665496338008441278737021 | [
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PO_4935932609313133021350034 | 4935932609313133021350034550691314859333283911689933682975607899622104483617529154407011856929761647340232452321245252916013774516074167578069857295574929 | 2025-04-16T17:41:26 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.586172 | unknown | null | null | null | null | null | null | CO_1706380026888599737779151 | 1706380026888599737779151781492791036792553903362732786249902884055843553738621296820460809231865965792694001801030592305499253909588099937492870318790621 | 8728183232489652975761267109843350139237072182884545430033019240633974969778253050893967096593479635002009503714164483139285973511925262903700310718707328 | [
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PO_4937588869498268391983916 | 4937588869498268391983916912609485856132105770961304380096251800226887098201693578248947528046153370991130272102123975777445241188517424104465270574514719 | 2025-04-16T17:11:09 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 4.48877 | unknown | null | null | null | null | null | null | CO_5558618959868627012866352 | 5558618959868627012866352691149301793617407438731526188219003211066280942709497010980188779282629051866823255009346362674836453882613680277759607701672388 | 3126743455833356112864755207229033483215964773289691539143143621097797009923321673572547561703093899875720964448350931845086437318035745961480715730370477 | [
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6... | 84 | 4 | 0 | [
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PO_1005151803723404082149689 | 10051518037234040821496891117966802962340108438904248131264587397831697860105071447012239690105272623880958813635057483235401428324160375136870147177914166 | 2025-04-16T20:10:30 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 1.517642 | unknown | null | null | null | null | null | null | CO_8171293012589835367959704 | 8171293012589835367959704467287934487404370620433472446215758879456586286015830347067533053375623889013748000825861361858818455754470775583340843308092295 | 11350513773692938758020563536612427826656316345949307017577676931709584544230180741830379693031827252367216442469089038423957122629055353914625811489863258 | [
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[
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true,
true,
true
] | C42H26B2F4N4S2 | BC21F2H13N2S | A21B13C2D2EF | [
"B",
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6... | 80 | 6 | 0 | [
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PO_1005431867737464682526086 | 10054318677374646825260869735705535766354870662277482837321281749430113885112229899590070595878557038168693149327570477432726943286212708371541496588078835 | 2025-04-16T16:24:36 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 4.910142 | unknown | null | null | null | null | null | null | CO_7449272645192527133815058 | 744927264519252713381505804866661256568760288506713054835358463926858223468067512750896625701371305722361406984258211494079918873715958158451499953706464 | 2530051660989268401191847853202163411400936127502037307289998396826337511150274265883946224400304636045232961284035174894780336273605646132121185179782884 | [
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[
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true,
true,
true
] | C28H48O16 | C7H12O4 | A12B7C4 | [
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PO_1005542198221010239136603 | 10055421982210102391366035475566668544122335326670639123286459633606096022373895151505562439316327600983763659658477254093835333450618422996396512663336174 | 2025-04-16T21:28:46 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 1.448481 | unknown | null | null | null | null | null | null | CO_1227628714988860619187307 | 12276287149888606191873077881192349513507619492218626064045259149202632839927605417610613439672202697876563825237002709857042857747041228748813428502087530 | 12520684565719670441986491438896620377798657045285286870134098511094530065151946594609169242443944035987361648762980488115082494029600196387087973528289151 | [
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[
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13.27215712... | [
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true,
true
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6,... | 100 | 5 | 0 | [
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PO_1004062255719351115493688 | 10040622557193511154936887035589619459115255871483291890950421786034455000149757598277954557485264357284770290497977392342914987004835772245557285137755790 | 2025-04-16T20:28:56 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.401746 | unknown | null | null | null | null | null | null | CO_1099713808909809361363406 | 10997138089098093613634068995970009633116902191583676412030052349665793763288673962251436445641700472493957178190236480905124850596443002325000995525173256 | 5614064637247995886084993176332890116643840509648640296668943895131435094074185498680710132885237864362003057129561380727421607836442602061166252367148186 | [
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[
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14.2... | [
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true,
true
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PO_1004011511260539251011941 | 10040115112605392510119417770042084972443376081823956295460111536452055730700398765706753750610230316472530978166650638195935220877573161988088443784023614 | 2025-04-17T18:26:41 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 4.130254 | unknown | null | null | null | null | null | null | CO_1203433163295691774397894 | 12034331632956917743978941319107311018473229286542241740627013012142742295856447042754397493778136575608741325194079952271528857397030137472844833824867113 | 12906339768583680941289953244221744017009035711917209770349249346449567974993598251827577668008289905635011127664330025279705841746232867777039589736640943 | [
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[
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2.9842602,
6.8... | [
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true
] | C38H48Br4O6 | Br2C19H24O3 | A24B19C3D2 | [
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PO_1004413796961495549060010 | 10044137969614955490600105795035269191039118886062380931181489924818210996844685251302426036184003541345607926026932855952581783449460293983802731126985276 | 2025-04-16T16:33:14 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 0.881637 | unknown | null | null | null | null | null | null | CO_4015126265431251228077917 | 4015126265431251228077917780419294920818342222822962603158625465443591304821931278917838101235660091103558665188311211665942399302230211685380199864246542 | 6372151031426125868877225609613315362298131515574795950379300576573955163643662852700114798215255596612937441846294513577281239926104578934071095369371064 | [
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[
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true,
true,
true
] | C36H40N4O6 | C18H20N2O3 | A20B18C3D2 | [
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6,
6,
6,
6,
6,
6,
6,
6,
6... | 112 | 3 | 0 | [
0,
0,
0
] | [
"omdbv1_9050"
] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/0587/MD_5329659976709144730940587.json | null | {"cod_id": "2227656", "hash": "5329659976709144730940587272047001000788259304168140944968951059599946615044966102539957525719006203066539073165277020241115798364239482219390718969099254", "id": "MD_5329659976709144730940587"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
PO_1003708052952060365039153 | 10037080529520603650391539516436838263451814936885796990148027009227421016503710289345931738420459410611318432195183096045400544853718734025828606273853767 | 2025-04-16T19:02:16 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.618625 | unknown | null | null | null | null | null | null | CO_1076507543488994125684821 | 10765075434889941256848212500476665458251996705169898778521252828791741989287812253721030616087979491329873768274960267507829220684747128127362509073726143 | 3012403918758784897234229462021355435472966996415940389281554355475656315551362078923814161921333268530513975877580874505079473038435343838863850990149898 | [
[
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0,
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[
0,
11.579,
0
],
[
0,
0,
11.064
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] | [
[
4.9883618,
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[
5.0899512,
5.12752857,
1.2200463
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[
4.22482881,
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[
5.85348419,
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6.95014451
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[
3.99101195,
9.807413,
-1.42381253
],
[
6.08730105,
4.017913,
8.33... | [
true,
true,
true
] | C48H68Cl2N2O8Si2 | C24ClH34NO4Si | A34B24C4DEF | [
"C",
"Cl",
"H",
"N",
"O",
"Si"
] | [
0.36923076923076925,
0.015384615384615385,
0.5230769230769231,
0.015384615384615385,
0.06153846153846154,
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... | 130 | 6 | 0 | [
0,
0,
0
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"omdbv1_10294"
] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/1678/MD_6102178807130049776751678.json | null | {"cod_id": "4031019", "hash": "610217880713004977675167808697881207478348058919015489956919989922629765605636883277606210803618760681787632599560437224038714575980399395980007420147129", "id": "MD_6102178807130049776751678"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
PO_1003742116514794869694005 | 10037421165147948696940050091690445884971099119001816691968308743453322903592278702196369207887525909534906593077514314540308147467268067625603870169807682 | 2025-04-16T17:55:11 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.646747 | unknown | null | null | null | null | null | null | CO_5741544408791896237636093 | 5741544408791896237636093911071307123469392048592981062135648680287753915393156038202886326385359718512093792147108477179538263371940264550452420219856676 | 3786440291185754848530854097109211523563209940597490991506544404715667443489329902393231236488518531052395890143386421046827663423832895800679580868337922 | [
[
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0,
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[
2.10876,
9.745099,
3.345036
],
[
0,
0,
12.7893
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] | [
[
10.89952495,
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18.08374375
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[
0.89856505,
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1.35005325
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[
11.47821212,
9.04150285,
16.15018211
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[
0.31987788,
0.70359615,
3.28361489
],
[
7.74832279,
0.07503726,
11.37335568
],
[
4.04976721,
9.6700617... | [
true,
true,
true
] | C58H50F4N2O6 | C29F2H25NO3 | A29B25C3D2E | [
"C",
"F",
"H",
"N",
"O"
] | [
0.48333333333333334,
0.03333333333333333,
0.4166666666666667,
0.016666666666666666,
0.05
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1,
1,
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1,
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
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1,
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1,
1,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6... | 120 | 5 | 0 | [
0,
0,
0
] | [
"omdbv1_10723"
] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/0171/MD_1187925120893972869260171.json | null | {"cod_id": "1542694", "hash": "11879251208939728692601716036512412899434502766998263061262998125379992610703466097446805788885712443139350809910758873212579097499132655301931900163167725", "id": "MD_1187925120893972869260171"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
PO_1003827042235221654758104 | 10038270422352216547581045678361035728099945983216097904632917031406007794459169011282363245373253597566867414449951409237812555232513738496945030401478980 | 2025-04-16T15:43:19 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.583291 | unknown | null | null | null | null | null | null | CO_1095126945419030276828459 | 10951269454190302768284593805892132762069456419635390759068485425842743914417217151297288846867603163177417018441632549180939719823110516080025705173972112 | 9371491662130156728338383239837116448216294115993607437965286219035962952903506709951704853086703151664405704704619279435366425414762043028940342644826379 | [
[
6.454155,
0,
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],
[
-2.229866,
6.864788,
-1.429176
],
[
0,
0,
12.386
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] | [
[
4.21761029,
0.10983661,
4.09976002
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[
0.00667871,
6.75495139,
6.21512898
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[
4.18704375,
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3.91712416
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[
0.03724525,
5.21037409,
6.39776484
],
[
4.51693936,
0.83750414,
2.86694876
],
[
-0.29265036,
6.02728386,
... | [
true,
true,
true
] | C16H28S8 | C4H7S2 | A7B4C2 | [
"C",
"H",
"S"
] | [
0.3076923076923077,
0.5384615384615384,
0.15384615384615385
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1,
1,
1,
1,
1,
1,
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6,
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6,
6,
6,
6,
6,
6,
6,
16,
16,
16,
16,
16,
16,
16,
16
] | 52 | 3 | 0 | [
0,
0,
0
] | [
"omdbv1_6478"
] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/2005/MD_3117195878457248589742005.json | null | {"cod_id": "7050960", "hash": "3117195878457248589742005233253315922859727632875751304369458065493269097311239622757323107730329674497095847920872339486199129086823002132939392651836395", "id": "MD_3117195878457248589742005"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
PO_1003878283872578681278729 | 10038782838725786812787297568356892188915586782136584348888416189456037950390142232610841958374454909015983119205539103595193486442033700315199821653852646 | 2025-04-16T20:28:56 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 1.851103 | unknown | null | null | null | null | null | null | CO_1106093807913718814877907 | 11060938079137188148779075253438478615359042097768590016625335578692194984620171716227606300581448147110694820357235652773185914353137193126194725497698688 | 8427752843138557001494206002916667386290247851774084170299296432481695448325566430756594785722215871005172353145879867865685343887573489589127650265796014 | [
[
7.454167,
0,
1.319201
],
[
1.981467,
10.173224,
4.920268
],
[
0,
0,
13.139
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] | [
[
3.08606214,
5.06728287,
9.81222049
],
[
6.34957186,
5.10594113,
9.56624851
],
[
5.83433364,
2.5524619,
8.37670946
],
[
3.60130036,
7.6207621,
11.00175954
],
[
2.34948421,
6.27993118,
7.99161681
],
[
7.08614979,
3.89329282,
... | [
true,
true,
true
] | C52H32N4Se2 | C26H16N2Se | A26B16C2D | [
"C",
"H",
"N",
"Se"
] | [
0.5777777777777777,
0.35555555555555557,
0.044444444444444446,
0.022222222222222223
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1,
1,
1,
1,
1,
1,
1,
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1,
1,
1,
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1,
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1,
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6,
6,
6,
6,
6,
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6,
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6,
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6... | 90 | 4 | 0 | [
0,
0,
0
] | [
"omdbv1_3378"
] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/6906/MD_3129360855819748214166906.json | null | {"cod_id": "4513665", "hash": "3129360855819748214166906389015907675584586732295074487570983571362450579721494542769942224301264522792050075748847298620296152121389297475667623713321220", "id": "MD_3129360855819748214166906"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
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