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... | 64 | 1 | 3 | [
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"Si_md_777"
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PO_9181136588337894811967668 | 9181136588337894811967668147738090372651953449879257901204311289342323542418484734549994490183765443912777641445421532248987841904721174322556328800376098 | 2025-04-16T17:17:21 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -345.182725 | [
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[
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[
-0.26540... | [] | null | null | null | null | null | null | 2.056695 | 0.678436 | null | CO_2439949767964997458130684 | 2439949767964997458130684538864311532968603162865085707305176007689040204029417661750007568408349660909628583822144278598105338585478649115992457348734062 | 7800803357524591651919653753613697089773786228703601710696488553499433704825707722784608056607077175827499988938919335698560197488868563598591060080002980 | [
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[
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... | 64 | 1 | 3 | [
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"Si_md_135"
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PO_2664507450023528580773199 | 2664507450023528580773199543920407130318689388889336263098736914613277648797463864341316971322329135410304069812638936186283886594882915913334374174578915 | 2025-04-16T16:04:50 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.826012 | [
[
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[
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PO_9203691488505091916133483 | 9203691488505091916133483680572365942256262631104558526341595338541525025093706615076575699892542680754421883226539381150993889384967775861731909320247792 | 2025-04-16T20:20:36 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -344.686612 | [
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[
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[
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[
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[
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[
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... | [
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... | 64 | 1 | 3 | [
1,
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"Si_md_124"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/1320/MD_6283720760182591684391320.json | null | {"kinetic-energy": 0.009366, "temperature": 1.15, "hash": "6283720760182591684391320333523131134333526845355313405712531105535321295316678648139519417321357389005173022717573370518563660767537537200809328657410284", "id": "MD_6283720760182591684391320"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_2671534996677030536587056 | 2671534996677030536587056304524458542831245997339053043153742791215081995279200596668516477330829319082000645705479046108957418134304767154494855327752605 | 2025-04-17T17:35:57 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.810448 | [
[
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[
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[
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[
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[
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[
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[
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[
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[
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6.... | [
true,
true,
true
] | Si64 | Si | A | [
"Si"
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... | 64 | 1 | 3 | [
1,
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"Si_md_888"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/4051/MD_3806860511008822526964051.json | null | {"kinetic-energy": 15.583849, "temperature": 1913.67, "hash": "3806860511008822526964051418348409886834345239927145447431070719684139812050663099472083282346168991238546458359152255864547932920386740314959242975858584", "id": "MD_3806860511008822526964051"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_2673623997597214736019896 | 267362399759721473601989605764703002134006349809678922824616633415550071977708099073186262079705572193997276079119012816496209844048772635422903157110518 | 2025-04-16T18:29:58 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.79651 | [
[
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[
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[
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[
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[
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[
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[
0... | [] | null | null | null | null | null | null | 3.87346 | 1.267854 | null | CO_7425750877796188909245352 | 7425750877796188909245352038844605547559862908067350097594913848890747517647553658024772903229621035621305736913569011052009769956667577076145137263686740 | 7382195227892921933397973593255726970206206426028667984222712593009155870517382594902598223408404217393132642314455846309290560158104190399750280062527651 | [
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[
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[
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[
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[
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[
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[
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[
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... | [
true,
true,
true
] | Si64 | Si | A | [
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1
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... | 64 | 1 | 3 | [
1,
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1
] | [
"Si_md_732"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/3174/MD_1800296743575904840413174.json | null | {"temperature": 1912.63, "hash": "1800296743575904840413174791632067771877701444561902257108053481570030708547394496660232714354927944792303493535393628963344233210189260381689600008515150", "id": "MD_1800296743575904840413174"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
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