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PO_4538177703452202194557645 | 4538177703452202194557645866565333843365223904904718040337911226375904961528306411773606553260462332298446559572318585968361223095297366249750931537412934 | 2025-04-16T16:31:50 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -571.169556 | [
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PO_1053529823671015182911443 | 10535298236710151829114438496778114894453786553196157471644666093744199428328791300145847066271344146808660960840982776681965357576073742277002234812384250 | 2025-04-16T16:56:48 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -279.24939 | [
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PO_1053767979641135473298065 | 10537679796411354732980657170216632437619468400419261984090325919155499830323672412468953088029662333570949713342012961606575313311414321469506421901328599 | 2025-04-16T21:09:01 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -566.262146 | [
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PO_1053713517524455580047934 | 10537135175244555800479347079455041369697810287747083405665969540690918693639219820826377203210799098420535610692035846990603963930067827859559586716222867 | 2025-04-16T20:04:53 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -1,145.39502 | [
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PO_1053764640285333559948055 | 10537646402853335599480553500309374519229839828978117842694566693859847341519423847992064053324778618604302285087804961239242735566181320222589269829583729 | 2025-04-16T18:35:06 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -542.662415 | [
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PO_1053756214386965750003147 | 10537562143869657500031472306515158652866932349036041774132146035937953712075199192456796237357491742826618611534955759493187828675861365016728968899993424 | 2025-04-16T21:21:56 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -1,118.653442 | [
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PO_1053361486934201777626907 | 10533614869342017776269072687129334414208574794129468795688853776168167690952226771389541252173341957026676826518428080189571334680728964922281208026409301 | 2025-04-16T18:49:16 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -279.069336 | [
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PO_1053312468469800738840189 | 10533124684698007388401894612807642822776016686816044716670180850752453484066276164410767068911795334026990187439553347063770541822151630298969288790084551 | 2025-04-16T17:32:32 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -285.394348 | [
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PO_4555314539110019330758642 | 4555314539110019330758642690732491596357022284681734518222144887967963607529495353740937461179304036326325370919071161108645152260592577761468308014198255 | 2025-04-16T19:02:16 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -521.942383 | [
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PO_4558165045597681196148992 | 4558165045597681196148992095443197293436329340913420105065695622926166822751415617422371548697618189966456336557575284134757359482450303714144731338363348 | 2025-04-16T15:44:32 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -569.721863 | [
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PO_4562039573969670472562103 | 4562039573969670472562103471030479840615442830952727960734372662396281072843228882493115715843045170631808358687749917994910207519680257895992262851132568 | 2025-04-16T15:43:10 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -285.864594 | [
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PO_4563626150834176527421921 | 4563626150834176527421921424311580673182453491555208693789335942950979868179242097816702750771663057608130973568458639614734970342540443996587242204465574 | 2025-04-16T21:44:51 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -539.039063 | [
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PO_4599502567282363394588351 | 4599502567282363394588351137276555772908462999739203248713378485228185358356811240238143948676306908932370548331904945561616029106049762685026719716842081 | 2025-04-16T17:28:31 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -569.062012 | [
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50,
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50,
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PO_4594404965907141692952871 | 4594404965907141692952871313935969770060035395466736577495766310675091412112974605129378387439157626739383598855029906797951625195329336579904203528139630 | 2025-04-16T20:04:32 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -568.203064 | [
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PO_4603619511151994322688039 | 4603619511151994322688039167465188918843149996017295093588090708875250826831967824061390285474978921509224192999014415905574098261543515653565208485075452 | 2025-04-16T15:45:03 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -521.932983 | [
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PO_4593375475466191476760963 | 4593375475466191476760963982059827302820396514736468429903620417094083924767653422267126979864906983870948996408531857801858847959618439938212557532479825 | 2025-04-16T21:14:40 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -281.880493 | [
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50,
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PO_4598207682926565063304988 | 45982076829265650633049882367342200885386610378313738013355109002218108698654032357628701961960167681486871433996995025195168223457166652280026250658460 | 2025-04-16T15:43:19 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -280.033081 | [
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PO_4608242747292521503230670 | 4608242747292521503230670219495471837107901703906999550463696263561549659059915237338888052737741659753936123577597061656824041434438815682441844030936008 | 2025-04-16T21:44:51 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -566.172424 | [
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PO_4612268349942881158435809 | 4612268349942881158435809416772452485847555364414039177401463479145365233080818108231458135086582883836517549008375315583786721124364754303768688593481937 | 2025-04-16T20:58:52 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -1,113.161865 | [
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[... | [
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PO_4622780916406726149904196 | 4622780916406726149904196964041958507231950739703020241252612953718298943617661723631756739187194139675473752840903624005652990855928760556887253446574182 | 2025-04-16T17:31:41 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -276.215759 | [
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PO_4626668226355755699363042 | 4626668226355755699363042251442996129455826283759949248650596094226284330801692112624590248871573707178384573974893966223295502383096113396674271051433435 | 2025-04-16T17:41:29 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -558.109253 | [
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[
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[
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[
2... | [
true,
true,
true
] | Sn16 | Sn | A | [
"Sn"
] | [
1
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50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50
] | 16 | 1 | 0 | [
0,
0,
0
] | [
"Sn16_set.000_2599"
] | null | data/MD/0701/MD_1008852501574301458540701.json | null | null | null | {"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1... |
PO_1059862618323457765405752 | 10598626183234577654057525320166384590383897000624498614094189921832708654181195560221768794079678514167452757032021948324488586707584610578249661181659050 | 2025-04-16T16:23:19 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -566.438171 | [
[
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[
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[
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[
0.32025301456451416,
0.04389899969100952,
1.090654015... | [
[
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[
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[
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0.8236986398696899,
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] | true | null | null | null | null | null | 1.389931 | 0.701951 | null | CO_1109136236857913093270547 | 11091362368579130932705474313926379982947049000296208935380856362279048671235717942528885540365532523689286043797248795402624258910861685636066580215384064 | 8915964744542386573868828848931156038906553866723909664066108784488770605045078172974107174563522091332705655731584022964017304084446357589190676915371006 | [
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[
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0
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[
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0.28812000155448914,
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[
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[
8.102239608764648,
3.264780044555664,
3.214440107345581
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[
... | [
true,
true,
true
] | Sn16 | Sn | A | [
"Sn"
] | [
1
] | [
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50
] | 16 | 1 | 0 | [
0,
0,
0
] | [
"Sn16_set.000_2792"
] | null | data/MD/0701/MD_1008852501574301458540701.json | null | null | null | {"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1... |
PO_1059832130854767018776562 | 10598321308547670187765629339959307749169758982704187560649748795328253627883270205169533610103160537380261124837247105956672254360159068058088799525591212 | 2025-04-16T18:16:44 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -284.453033 | [
[
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0.26575401425361633,
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[
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[
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0.16164399683475494,
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[
0.28525298833847046,
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0.1303... | [
[
23.64097785949707,
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[
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[
2.2478291988372803,
-2.096473455429077,
23.9009952545166
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] | true | null | null | null | null | null | 0.454424 | 0.359714 | null | CO_1350392579908255884713327 | 1350392579908255884713327904774726464929755421108822757274979759405384857401661929877133105846291519308756546888292526014906062552067328869775306050000888 | 4455352723800587702104658338933176627753029856796861919249577405928106987678501043494651967867056830348355716406476454923935818545654691331619565232514674 | [
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5.983863830566406,
0
],
[
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[
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4.558149814605713
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[
0.018939999863505363,
2.9801299571990967,
0.0013699999544769526
],
... | [
true,
true,
true
] | Sn8 | Sn | A | [
"Sn"
] | [
1
] | [
50,
50,
50,
50,
50,
50,
50,
50
] | 8 | 1 | 0 | [
0,
0,
0
] | [
"Sn8_set.000_271"
] | null | data/MD/0701/MD_1008852501574301458540701.json | null | null | null | {"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1... |
PO_1059902839862673497965271 | 1059902839862673497965271512089689398125170981728056807275076321060746503953405108542295277345637577202227457443639974843992396478336977519219407658115570 | 2025-04-16T17:11:48 | DS_h1i3plesx7bc_0 | 1 | VASP | DFT-SCAN | -568.395325 | [
[
1.0395129919052124,
0.1685670018196106,
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],
[
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0.2950429916381836
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[
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1.9838099479675293
],
[
-0.30194199085235596,
-0.11933699995279312,
-0.5325419... | [
[
12.024006843566895,
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[
5.555651664733887,
14.469344139099121,
1.6855106353759766
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[
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1.6855106353759766,
6.8556108474731445
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] | true | null | null | null | null | null | 3.057915 | 1.282374 | null | CO_6643517830486280761121752 | 6643517830486280761121752885064454476827351641050665161558040117150381243005962805233154678433151543349021709946105761532028953908929622426032075122826364 | 4122806817264550418028558113129021802965609624246000073909913312095587656273982243700036816096625509367643638137083131301607816770911993230236576402058809 | [
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[
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0
],
[
0.21061252057552338,
0.08216319978237152,
7.976262092590332
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] | [
[
7.039490222930908,
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[
0.9227700233459473,
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[
0.8642399907112122,
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],
[
... | [
true,
true,
true
] | Sn16 | Sn | A | [
"Sn"
] | [
1
] | [
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50
] | 16 | 1 | 0 | [
0,
0,
0
] | [
"Sn16_set.000_2598"
] | null | data/MD/0701/MD_1008852501574301458540701.json | null | null | null | {"input": {"ediff": 1e-05, "encut": {"value": 650, "units": "eV"}, "ismear": 0, "kspacing": {"value": 0.1, "units": "Ang^-1"}, "sigma": 0.2}, "hash": "10088525015743014585407019406033940079052533337128307162966005992139291822770358425221055379445719266765004523387136557958298131261804090475918943833078990", "id": "MD_1... |
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