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] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/6372/MD_7347629275322729741256372.json | null | {"kinetic-energy": 2.093191, "temperature": 257.04, "hash": "7347629275322729741256372644252796200191331851077554023900321967260738019466371386673658296826885434392977469560165981795496055687014353733484108648219453", "id": "MD_7347629275322729741256372"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_1027738988079124521829968 | 10277389880791245218299684961080356321064386259299168819927757362975998378319581077569597039829388226104929053385117541371492371808253148065959484698649043 | 2025-04-16T16:31:52 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -352.826543 | [
[
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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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0.82808162... | [
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true,
true
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... | 64 | 1 | 3 | [
1,
1,
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"Si_md_309"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/5466/MD_8252915082708380450755466.json | null | {"kinetic-energy": 0.125849, "temperature": 15.45, "hash": "8252915082708380450755466568003189948546587680651081231536545179228062163865936443080518511214545017415717277545203314336923868154782619704009963745257094", "id": "MD_8252915082708380450755466"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_5058252931903186398698059 | 505825293190318639869805913289238814022813784827881308298041471551972184528649840099748867736753054354694831701444253491368343467128118460302670658926953 | 2025-04-16T18:44:29 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -324.185635 | [
[
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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 | 1.749696 | 0.815719 | null | CO_1363845554550376395757718 | 1363845554550376395757718880175169266037359007904174239737943230915393967221276099864938169393325336152998517548842740526127902903465044247389405267859466 | 9029095489934675663020208292876690317814741956092671113300426715524188117971926773184681397782085405059784751790216924110856868836828489824858272028663612 | [
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[
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[
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[
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[
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-5.00017... | [
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true,
true
] | Si64 | Si | A | [
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... | 64 | 1 | 3 | [
1,
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"Si_md_470"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/5173/MD_9167889565371745984705173.json | null | {"kinetic-energy": 5.350578, "temperature": 657.04, "hash": "9167889565371745984705173451894627252544864209212450732677825991783325163706863185067749808355463135347742236130959285829844307828130381644591305052763825", "id": "MD_9167889565371745984705173"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_1028291376587051887237776 | 10282913765870518872377768529213888076158277691956263751921839899351383191090771895251274183976263248797351448742460981090505020825640638112679827986607950 | 2025-04-16T16:20:57 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.805345 | [
[
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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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3.... | [
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"Si"
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... | 64 | 1 | 3 | [
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"Si_md_1050"
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PO_1075232185419096667922263 | 10752321854190966679222637667414213104443956884356009246148281443264369861819602634376436193225264441575566762302085992979287460988538862174285979403728604 | 2025-04-16T18:27:12 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.805341 | [
[
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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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... | 64 | 1 | 3 | [
1,
1,
1
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"Si_md_734"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/6110/MD_1198399487543949519446110.json | null | {"temperature": 2111.79, "hash": "11983994875439495194461100240493545742542964859147034727783487924691610996231814379187645046088496793568450810717927594145557941678336433923513756609373043", "id": "MD_1198399487543949519446110"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_1074395466051939796433721 | 10743954660519397964337219388873521754857725943995903679131004484032998349362892365479577295446818349934726170568294202265252725669379015917944277769751801 | 2025-04-16T17:25:54 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -284.85641 | [
[
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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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] | [
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[
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[
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[
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[
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3.69... | [
true,
true,
true
] | Si64 | Si | A | [
"Si"
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... | 64 | 1 | 3 | [
1,
1,
1
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"Si_md_633"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/4705/MD_6958963459716344537704705.json | null | {"kinetic-energy": 3.646933, "temperature": 447.84, "hash": "6958963459716344537704705807213554848183412693821715278954364841166256380558146141326153431861425227918640954707823034683373619465827422189646146657634264", "id": "MD_6958963459716344537704705"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_1075333693761245121877108 | 10753336937612451218771082417476657345580992576048278786295421440955292693697642303660684994948860264033546990250106561936062703108784433318882594118510996 | 2025-04-16T18:11:35 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -269.97753 | [
[
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[
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[
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[
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[
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[
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[
... | [] | null | null | null | null | null | null | 1.107652 | 0.539169 | null | CO_7373211530205613223882230 | 7373211530205613223882230021332588529406918854023449946042774814594434664130999431780806194670183054992798872135715490438781485423884455875644060076566321 | 8444670306987541065210960400546597729366392042992305391563408225835035161191344317774236056957927971662945292913092869879557126867126445448761263428009482 | [
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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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],
[
7.17585778,
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... | [
true,
true,
true
] | Si64 | Si | A | [
"Si"
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1
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... | 64 | 1 | 3 | [
1,
1,
1
] | [
"Si_md_635"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/3845/MD_9630883219933165185473845.json | null | {"kinetic-energy": 2.302367, "temperature": 282.73, "hash": "9630883219933165185473845947590853247607153885393001252749888308299950162802779786311042671187478355394979967637247856636474620864540713125863643006914971", "id": "MD_9630883219933165185473845"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
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