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7... | 105 | 2 | 3 | [
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[
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7... | [
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7... | 105 | 2 | 3 | [
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[
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7... | 105 | 2 | 3 | [
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1
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7... | 105 | 2 | 3 | [
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1
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true
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7... | 105 | 2 | 3 | [
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PO_4951829817949795969060775 | 4951829817949795969060775381673497637155029292450461933579301471478406411381564728441307732879097635906252541817524160319109432692864658501402178488002195 | 2025-04-17T18:26:41 | DS_mo7yelvudt4k_0 | 1 | VASP | DFT-PBE | -727.755494 | [
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[
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7... | 105 | 2 | 3 | [
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PO_1008274172145757914559373 | 10082741721457579145593735074491930390970232481476265611781349907038674334058373738304561093173568882637511033327265687366683696829103544372763586087985548 | 2025-04-16T17:08:48 | DS_mo7yelvudt4k_0 | 1 | VASP | DFT-PBE | -711.928539 | [
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[
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7... | 105 | 2 | 3 | [
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PO_1008648348428342342105008 | 10086483484283423421050082211021933565282101774873877360268768953552031060681663284929454116414879834652204866376649390074382811812040702907668295274156555 | 2025-04-16T17:09:36 | DS_mo7yelvudt4k_0 | 1 | VASP | DFT-PBE | -721.478547 | [
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[
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[
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... | [
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true,
true
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7... | 105 | 2 | 3 | [
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1
] | [
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] | null | data/MD/1512/MD_3220989785209901592711512.json | null | null | null | {"input": {"ediff": {"value": 0.002, "units": "eV"}, "ediffg": {"value": 0.05, "units": "eV/angstrom"}}, "hash": "3220989785209901592711512060749399143158255874818296585998205381974360544737732089417139158924615074837033519915139922028460460046863434186179457886861933", "id": "MD_3220989785209901592711512"} |
PO_1007034329700571027320949 | 10070343297005710273209491059136009954445815402888216006577491213950025081014954810698478535514314448054909532479784933261821459022888360276225622837447156 | 2025-04-16T18:25:21 | DS_mo7yelvudt4k_0 | 1 | VASP | DFT-PBE | -780.24115 | [
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[
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7... | 105 | 2 | 3 | [
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1,
1
] | [
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PO_1007996182663784521111081 | 10079961826637845211110811192777803880394212083596903344673862605990605248224599317467964338400624758386365634527501214891687887330130396088596211225138944 | 2025-04-16T21:09:01 | DS_mo7yelvudt4k_0 | 1 | VASP | DFT-PBE | -731.48001 | [
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[
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[
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true,
true
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7,
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7,
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7,
7,
7... | 105 | 2 | 3 | [
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1,
1
] | [
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[
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7... | 105 | 2 | 3 | [
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[
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7... | 105 | 2 | 3 | [
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[
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[
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true,
true
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7... | 105 | 2 | 3 | [
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PO_4489474243103039206730191 | 4489474243103039206730191109889941452512599186219521198205587891327190410154433717994698433624865729667966129158849703793853710046724798065261100289040420 | 2025-04-16T15:18:29 | DS_mo7yelvudt4k_0 | 1 | VASP | DFT-PBE | -711.875296 | [
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[
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7... | 105 | 2 | 3 | [
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[
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[
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7... | 105 | 2 | 3 | [
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1
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true,
true
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PO_4576214571379505554038354 | 457621457137950555403835465277563129196638488913328546648587339179650047570629455584123733189183754223983411897640606503615243440096386759801371097938611 | 2025-04-16T18:52:40 | DS_mo7yelvudt4k_0 | 1 | VASP | DFT-PBE | -736.89248 | [
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[
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[
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7... | [
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7... | 105 | 2 | 3 | [
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[
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7... | 105 | 2 | 3 | [
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[
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[
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7... | 105 | 2 | 3 | [
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1
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PO_1057192634786550931630876 | 10571926347865509316308769810071569681382586532688898232572279793357115175586651030480906434259644822088796558528234788057259238417364849226447994119257178 | 2025-04-16T16:09:54 | DS_mo7yelvudt4k_0 | 1 | VASP | DFT-PBE | -728.166 | [
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[
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[
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... | [
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true,
true
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7... | 105 | 2 | 3 | [
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1,
1
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] | null | data/MD/1512/MD_3220989785209901592711512.json | null | null | null | {"input": {"ediff": {"value": 0.002, "units": "eV"}, "ediffg": {"value": 0.05, "units": "eV/angstrom"}}, "hash": "3220989785209901592711512060749399143158255874818296585998205381974360544737732089417139158924615074837033519915139922028460460046863434186179457886861933", "id": "MD_3220989785209901592711512"} |
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[
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[
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10... | [
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7... | 105 | 2 | 3 | [
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1,
1
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[
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7... | 105 | 2 | 3 | [
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1
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7... | 105 | 2 | 3 | [
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7... | 105 | 2 | 3 | [
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PO_1021588908882558442165811 | 10215889088825584421658112574163603937199367332664132316880980665316765880196526635279595940249109574490918402880399986726449353612001752048167781549297871 | 2025-04-16T21:27:46 | DS_mo7yelvudt4k_0 | 1 | VASP | DFT-PBE | -781.341956 | [
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[
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PO_1063064956917907232007548 | 10630649569179072320075488044923108446812185386187972677137263008127197666621225208941306380858884479231335576377748139162669247444619478521154882704077758 | 2025-04-16T15:44:05 | DS_mo7yelvudt4k_0 | 1 | VASP | DFT-PBE | -716.431498 | [
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[
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true
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7... | 105 | 2 | 3 | [
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1
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PO_1063333697143815419274431 | 10633336971438154192744318095272505059896425808333342620735803622458374950557793071952214619684626756130904333592951061979149587862587433843378381517451553 | 2025-04-16T21:21:56 | DS_mo7yelvudt4k_0 | 1 | VASP | DFT-PBE | -712.421094 | [
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[
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[
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9.... | [
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true,
true
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7... | 105 | 2 | 3 | [
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1
] | [
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] | null | data/MD/1512/MD_3220989785209901592711512.json | null | null | null | {"input": {"ediff": {"value": 0.002, "units": "eV"}, "ediffg": {"value": 0.05, "units": "eV/angstrom"}}, "hash": "3220989785209901592711512060749399143158255874818296585998205381974360544737732089417139158924615074837033519915139922028460460046863434186179457886861933", "id": "MD_3220989785209901592711512"} |
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[
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[
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true,
true
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7... | 105 | 2 | 3 | [
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1,
1
] | [
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] | null | data/MD/1512/MD_3220989785209901592711512.json | null | null | null | {"input": {"ediff": {"value": 0.002, "units": "eV"}, "ediffg": {"value": 0.05, "units": "eV/angstrom"}}, "hash": "3220989785209901592711512060749399143158255874818296585998205381974360544737732089417139158924615074837033519915139922028460460046863434186179457886861933", "id": "MD_3220989785209901592711512"} |
PO_4706713737824225856413112 | 4706713737824225856413112625264285492819685022061300190668329368986850850621979755527018117277624098552908526860428352140446049663489205949998905076233013 | 2025-04-16T18:16:00 | DS_mo7yelvudt4k_0 | 1 | VASP | DFT-PBE | -727.713073 | [
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[
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[
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9.0... | [
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true,
true
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7,
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7... | 105 | 2 | 3 | [
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1,
1
] | [
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] | null | data/MD/1512/MD_3220989785209901592711512.json | null | null | null | {"input": {"ediff": {"value": 0.002, "units": "eV"}, "ediffg": {"value": 0.05, "units": "eV/angstrom"}}, "hash": "3220989785209901592711512060749399143158255874818296585998205381974360544737732089417139158924615074837033519915139922028460460046863434186179457886861933", "id": "MD_3220989785209901592711512"} |
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[
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[
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true,
true
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