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PO_1224960099583124087052787 | 12249600995831240870527874285826500597657304175131642800023384463129796205453197159687744632513045695433428882566199376466557115309693495725332988853207762 | 2025-04-16T18:54:19 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -275.653211 | [
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PO_1227028154762987741196546 | 1227028154762987741196546024663483810881842899513524311644272388424308417338218780127195641335355490376873651323547327095156929864139810137853776606507639 | 2025-04-16T21:14:40 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -215.994539 | [
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PO_1229588300269317461972788 | 1229588300269317461972788721549269351834437796558360216033705899852391478960813852526206503766249191660813876157319250610433072425936764311054599103416295 | 2025-04-16T20:32:45 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -333.039488 | [
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PO_1230347373724302751922167 | 12303473737243027519221674348665085185463298357285544513503714092611968601399070416771942682684408482719071817285749118689109443812371383608218599479126248 | 2025-04-16T20:21:55 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.818442 | [
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PO_6834083799531430523132298 | 6834083799531430523132298015341232836274144426692400753712066445518639101808172971470044950412884837649412930157376846313566624986634590369859868415980736 | 2025-04-16T16:23:41 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.811714 | [
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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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-3.7974764... | [
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... | 64 | 1 | 3 | [
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"Si_md_449"
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PO_7156382685441994180970606 | 7156382685441994180970606370035507033445705753011738921755318289216319574030510367686371258673898571138482350303234595414023027744713689149665048952368379 | 2025-04-16T21:21:56 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -328.097305 | [
[
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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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... | 64 | 1 | 3 | [
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"Si_md_671"
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PO_7152910390359786657261332 | 7152910390359786657261332673603885962868307983905671279914253879712695455457995218272441491644638932767536717327554101818763132274877978654963183378158019 | 2025-04-16T16:31:58 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | 47.968563 | [
[
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[
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[
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[
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[
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... | 64 | 1 | 3 | [
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"Si_md_550"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/0355/MD_4277042854092965247090355.json | null | {"kinetic-energy": 0.567518, "temperature": 69.69, "hash": "4277042854092965247090355912046644564234539905087360271627494722318443728401739655237957744345883285242491059273966144289581424488662453982427492544501930", "id": "MD_4277042854092965247090355"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_1265070727506863146732594 | 12650707275068631467325941175792271911377716329088311531919356096864477551524281472347660625730915448562018046783217629141142093373858466398795345935554015 | 2025-04-17T18:06:06 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -184.365457 | [
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[
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[
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[
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0.821258,... | [
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true,
true
] | Si64 | Si | A | [
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... | 64 | 1 | 3 | [
1,
1,
1
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"Si_md_292"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/7767/MD_5172762648393266422917767.json | null | {"kinetic-energy": 0.122325, "temperature": 15.02, "hash": "5172762648393266422917767963148896959265961882923340745842029471849109968107076832805976079149778013287458216738105582811018630329917336035383943177978881", "id": "MD_5172762648393266422917767"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_1264280189602599276946486 | 12642801896025992769464862550658433550473835271031584337272617803837870329352179207276957921159856144351182199384639661128145466778976589262719954039342618 | 2025-04-16T17:20:23 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.806269 | [
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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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... | [
true,
true,
true
] | Si64 | Si | A | [
"Si"
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... | 64 | 1 | 3 | [
1,
1,
1
] | [
"Si_md_896"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/7907/MD_4524272010652355457557907.json | null | {"kinetic-energy": 14.966757, "temperature": 1837.89, "hash": "4524272010652355457557907143842822469281311714663089080677581141291889684216495552619594138976402634836604860683089995385837748534955700530436667956278079", "id": "MD_4524272010652355457557907"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_7178176810970495325685025 | 7178176810970495325685025128115025412043946325754025587808510752991796608930144899250293960015976873258116593620181334093567376609019881918736757231386130 | 2025-04-16T19:56:48 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -355.611158 | [
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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 | 2.113091 | 0.895088 | null | CO_3974646944857399553175943 | 3974646944857399553175943470273673159809359541877383591282521268571748784482795625178640138906798921988406527277865164892473939823159655807870555363339719 | 2716146746287835279962335103645490948703083872967841403640031463934242796104969651013405713507584835797085808297422260257620972621495676772941486184802152 | [
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[
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] | [
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[
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[
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[
16.70282335,
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... | [
true,
true,
true
] | Si64 | Si | A | [
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1
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... | 64 | 1 | 3 | [
1,
1,
1
] | [
"Si_md_571"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/1754/MD_7692575954415760021801754.json | null | {"kinetic-energy": 5.181395, "temperature": 636.27, "hash": "7692575954415760021801754614166800826781536388605003427014225521927038178055371265968514470345527143410911934078865430700878894601833497392808152962060383", "id": "MD_7692575954415760021801754"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
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