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PO_1011660546352914999324690 | 10116605463529149993246908395494966802031340054948581599986608197243195049969209303676682967143936993594098851387902515418267357209903303538817506513586430 | 2025-04-16T18:49:16 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.730881 | unknown | null | null | null | null | null | null | CO_6146961925450766193061503 | 6146961925450766193061503044454698885667668314666764141091332146868869263382556476835483273837111765420345443748515142350439363636900905549240237939730835 | 10240473417597183180632492205532823990533544094165395837050614354616287362770443828324565056015069809014810025085185994839406718837703601589056740855629439 | [
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PO_1011748815201176073564062 | 10117488152011760735640626249751770490273326093201594917832588855193242482759441144726660022805111575347209216065201009980579291088972283155007706584034044 | 2025-04-16T21:27:46 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.195759 | unknown | null | null | null | null | null | null | CO_1065195772662288648555963 | 10651957726622886485559630503140932273682341076853939115250164725258972209159609813914372540054514423347390521614472181510947894695016377356041441385160042 | 8878439699782301733332526795775382737531278069211017499675092930293137029628478027212382838157354194925487013616464203769224364457214300478557923259581626 | [
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PO_4453026286140254975774036 | 4453026286140254975774036605338386214116063534329865388523995915414207782054891336313901658674216150617271745653715636057851670039025127091758196526391452 | 2025-04-17T18:16:17 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 1.564643 | unknown | null | null | null | null | null | null | CO_7027919635013068272677953 | 7027919635013068272677953043788573283740846074425185724687306388946906910050712827124153434931139499527204393378072800488867917275499777659646371013791624 | 4362295954088412785262749895816522138712753509758221347291502696206640289479632529658320194651877116599076879082335799983084768274045179425253434226699871 | [
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PO_4454083443292152472471565 | 4454083443292152472471565720323725545408961441295964044401505727731443543996860208824678574544863732255867883770107740685709882495563222759753820583373613 | 2025-04-16T17:39:39 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.762297 | unknown | null | null | null | null | null | null | CO_2001539563659187510914356 | 2001539563659187510914356258184969913877760064478835725682238035464106549851567229103842997845942959170878031065603395455378021794727230512266240125878802 | 2677572044601633116461218842561469727630217782620285565611256824623457959530612448143989976066764636002338326692695852644835347822328619270357565578835810 | [
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6... | 112 | 5 | 0 | [
0,
0,
0
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"omdbv1_2649"
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PO_4459866230404826524775019 | 4459866230404826524775019461578906058252165540216703400660564189083781113815721468392143175957032252346317516995606554081226719104794059533116621029320943 | 2025-04-17T18:26:41 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.104258 | unknown | null | null | null | null | null | null | CO_7212223359861280875137033 | 721222335986128087513703379954002662253544144826000159069685533651520515379237800415354394225636630153317589008790643539993937410657466571164904526310880 | 8725820564610169030293746829808322002286697152728148599716164995467340632409680057407556394269783271217412183537165670554874583006129091709078603955116629 | [
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[
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true,
true,
true
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PO_4459443765394761115147401 | 4459443765394761115147401975766396242573850862640831616241527429524892373928402346514060443247749334469891385060670389333337320181006569577581766297430276 | 2025-04-16T21:23:51 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.007802 | unknown | null | null | null | null | null | null | CO_5450637711891699401408810 | 5450637711891699401408810305082928519199072324378654694954342761649950771456764108189269216214062481308039431356497394509468406626600717970391874368023060 | 1771546183109490752110372896130988940863245209029524474210929004966965411574492132561137884877317201256876743745832568649953964125437668908986970302842966 | [
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[
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3... | [
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true,
true
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[
3.22631072,
1.6971556,
9.118458... | [
true,
true,
true
] | C34H36N4O10 | C17H18N2O5 | A18B17C5D2 | [
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[
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4.06225106,
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true,
true
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35,
35,
35,
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35
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PO_4461890281465509151961163 | 4461890281465509151961163713785217555365918396723645510484510316533917246474587402974024007897816966812824924210464921892861807036969326144504375813282622 | 2025-04-16T21:57:13 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.790369 | unknown | null | null | null | null | null | null | CO_7760786366994880896165414 | 7760786366994880896165414405184007272777336466669437876149782687220853553397537658380065033111174946730271168057874540095872058074085030853062815079507077 | 1010050429541388522001683773260482391173847733192714634243197147646017692161104503016218108169683093419471104647659475025889688306403015066968056112631562 | [
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[
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0.869648... | [
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true,
true
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[
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11.2... | [
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[
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PO_4464623799590397109260568 | 4464623799590397109260568787300122627357881290927647533298293585837992223606738995749836464750223170445011831729399820060759477640597912279266523710694150 | 2025-04-16T16:32:54 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.273558 | unknown | null | null | null | null | null | null | CO_4955711121532727424349371 | 4955711121532727424349371511423694971443828064633381486724967345174870582715900119226664064440366351706193936593270442066308560786424690161040375342796472 | 4582446312952125641523010803626326412901091889811258244522838492251190204673814822935199061742713883424718054968876878101999413576344885244573202370611621 | [
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9
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"omdbv1_219"
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PO_1050598517242691127578388 | 10505985172426911275783882082387094968012396560842360705304120090626539448226187787070609943318172513494093005911876414834402014459321145352492971018565276 | 2025-04-16T21:35:56 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.589918 | unknown | null | null | null | null | null | null | CO_1066818070030579025140536 | 10668180700305790251405362007611588457371495511607510075702147524815506078520168507786870124491329341444920288905060117420557511779478337073506649599039255 | 5773465660670109589333060229899023527123794724475508439567254708780975854410462541702448180155870995995183528823608223869511946756677634907088893306945065 | [
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[
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[
3.76143141,
1.72671488,
6.02742716
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[
0.65235809,
6.09151488,
... | [
true,
true,
true
] | C28H20N4O16 | C7H5NO4 | A7B5C4D | [
"C",
"H",
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"O"
] | [
0.4117647058823529,
0.29411764705882354,
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8... | 68 | 4 | 0 | [
0,
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"omdbv1_2642"
] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/1096/MD_6367745468416524014261096.json | null | {"cod_id": "2226876", "hash": "6367745468416524014261096437255357719533501330651158004105025234850778618558994727857539944123672682421468996062838160427517435609430015692938640501898987", "id": "MD_6367745468416524014261096"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
PO_1050510162454987463551136 | 10505101624549874635511364841829922765949204528206424728633719345891436488780702595587334903498810939245267800621511176328951235942025376980492594372529195 | 2025-04-16T20:03:41 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.902748 | unknown | null | null | null | null | null | null | CO_6680757076191012417893745 | 6680757076191012417893745732701216593268434652398094788228443222097180552532943749425636378379643456685151239467478849850370268548653584549363088626997972 | 8222687233977935110467568412279479411227624233486451539553872597226714484619616559165296242367237965198716017050962334294887766564923008053977984357442601 | [
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[
-1.763322,
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[
0,
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[
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[
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1.87567279
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[
5.84954755,
1.16844565,
... | [
true,
true,
true
] | C46H24F12N4O4 | C23F6H12N2O2 | A23B12C6D2E2 | [
"C",
"F",
"H",
"N",
"O"
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0.13333333333333333,
0.26666666666666666,
0.044444444444444446,
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6... | 90 | 5 | 0 | [
0,
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"omdbv1_10749"
] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/2890/MD_3188150510242400895142890.json | null | {"cod_id": "4025117", "hash": "3188150510242400895142890298734093777645064022075051444882840733807954795865825363479215286563700144856483334868438491546837832575980090583084124877745564", "id": "MD_3188150510242400895142890"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
PO_1014096964244299124432646 | 10140969642442991244326464494381662590315173354945907093156049401455722314236338628632704260491153008937650236163315050480017800374588973910990008218881920 | 2025-04-16T16:28:49 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.233858 | unknown | null | null | null | null | null | null | CO_2381342231089364089762215 | 2381342231089364089762215359856726158951765062877474360067954917428239223744145789817270006842591301895675979790528906525400718107876915406670312084070570 | 6666435730656348789246989395853241732712599920594300235533693694484722346651386233388019973131058876693421954987095512038251179485980426678124154256711273 | [
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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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[
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],
[
5.33012884,
0.09680686,
5... | [
true,
true,
true
] | C12H12N4O6 | C6H6N2O3 | A6B6C3D2 | [
"C",
"H",
"N",
"O"
] | [
0.35294117647058826,
0.35294117647058826,
0.11764705882352941,
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8
] | 34 | 4 | 0 | [
0,
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] | [
"omdbv1_8660"
] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/1340/MD_1018371472148996597021340.json | null | {"cod_id": "4020447", "hash": "10183714721489965970213401077741109617787420091012512377610429028985536207146996984891855235688182378770482464363248943861797893217375385375366237657263012", "id": "MD_1018371472148996597021340"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
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