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[
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[
2.7155,
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[
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[
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[
1.35775,
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... | 64 | 1 | 3 | [
1,
1,
1
] | [
"Si_md_0",
"Si_md_36",
"Si_md_115",
"Si_md_683"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/7770/MD_1156856528901629479327770.json | null | {"temperature": 2000.0, "hash": "11568565289016294793277703031343491736449561356375816156936715384537086000575030184368175583545128090792516694139307731061878379125550956403239139829703720", "id": "MD_1156856528901629479327770"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_4255360148547083259530393 | 4255360148547083259530393983638814522408173318744439058098825172314925459420180193233832077689180558415758302141445374587192312330531673361715184700331664 | 2025-04-16T15:43:54 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.804032 | [
[
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[
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[
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[
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0.497075
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[
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[
0.436849... | [] | null | null | null | null | null | null | 3.757312 | 1.404747 | null | CO_5832269114006953345697615 | 5832269114006953345697615845111857826090072053644794230361806473693598337721092699573904367952835201732071670136519840156408147928351388320367148085581010 | 11575894818559751866902617808101816723426886159624816052653721657474043592793410391603106356402707623698196008266750533630256603227641302970051844803340139 | [
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[
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[
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[
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... | [
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... | 64 | 1 | 3 | [
1,
1,
1
] | [
"Si_md_992"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/1427/MD_4295890430417830367091427.json | null | {"kinetic-energy": 14.045265, "temperature": 1724.74, "hash": "429589043041783036709142769492648966587318044243502922900032780181472709790072343909698050794086929119204225777299889021004512759472055879067869703789090", "id": "MD_4295890430417830367091427"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_4296721848100587576086494 | 4296721848100587576086494529452709414354227413310269279848493628065130963342458511078107836383339117537072488048950903348819671957067287630419482833888388 | 2025-04-16T17:09:42 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.814019 | [
[
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[
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[
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[
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[
-0... | [] | null | null | null | null | null | null | 3.377207 | 1.366222 | null | CO_5310021180506827170440528 | 5310021180506827170440528325320766329940138455756578864510828284648131130035198241416760264722854524342537322988944158850728565730261702553837686489427876 | 5637240841200157497926735936995487554523407586430447552005808061937661639181335698821069277245109176593520588359081833772625289072747747470742993604108834 | [
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... | [
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... | 64 | 1 | 3 | [
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"Si_md_979"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/2472/MD_2530647205754311428142472.json | null | {"kinetic-energy": 15.126524, "temperature": 1857.51, "hash": "2530647205754311428142472430498478202465572732021779377898628313175613110025605058874893712563839995928164009152527942997403567812858416425804603223304628", "id": "MD_2530647205754311428142472"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_4285901823713015509970546 | 4285901823713015509970546450312824247333825640690580878760734661666163626961453075507358445473706495735362485135691084908387328541760767443732710406150264 | 2025-04-16T20:26:41 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.825683 | [
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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
] | Si64 | Si | A | [
"Si"
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... | 64 | 1 | 3 | [
1,
1,
1
] | [
"Si_md_791"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/1394/MD_6827231124573233800551394.json | null | {"kinetic-energy": 18.306235, "temperature": 2247.98, "hash": "6827231124573233800551394370477498013575082138263440197619881066544622414651976025424769780603966962598869158697142838509793771171389399206944787743478520", "id": "MD_6827231124573233800551394"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_4288251217802268708514592 | 4288251217802268708514592535680824831940171564844546684863686649231763136983455056003025434501653160127925121862642311502326788551855764902391532508174576 | 2025-04-16T16:09:21 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | 467.348873 | [
[
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[
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[
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[
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[
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[
0.287162,
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[
... | [] | null | null | null | null | null | null | 1.556455 | 0.627748 | null | CO_2597978384480632372208221 | 2597978384480632372208221832432334603667707095169596575864950478186102782120762433506060673826272535976739190996393843206053979434977403240469868490047442 | 8833424278383738559816202323279979713818540238445907717091707665270184400424476084101720346242283808393835723295405538340165801592135940676073656128844474 | [
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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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10.12204765,
2.63426234
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[
4.7049874,
0.65170686,
4.0... | [
true,
true,
true
] | Si64 | Si | A | [
"Si"
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1
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... | 64 | 1 | 3 | [
1,
1,
1
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"Si_md_240"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/4546/MD_1848106580996209885854546.json | null | {"kinetic-energy": 5.163446, "temperature": 634.06, "hash": "1848106580996209885854546636451977591238386498766732136516701556861909575856680718256199451739912566952901741727377708054781886042655818589931781220159701", "id": "MD_1848106580996209885854546"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_4317320042681947728091449 | 4317320042681947728091449415906113280534295693446614194441919604854006259476776899266134276677965937705651887392615698473495197163393872084004680676154714 | 2025-04-16T16:10:12 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -199.407193 | [
[
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[
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[
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[
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[
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[
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[
-0.000329,
... | [] | null | null | null | null | null | null | 0.001768 | 0.000821 | null | CO_4030211878512624687286776 | 4030211878512624687286776444931969216253272882263235082271090424155687308838897320883806337107198179576671753167906293543799186538090585773411861687181889 | 2287196054719631009766302503629619710323373423490876401836509581355023518962990698248793794637451142566063285388434398437922436166132726677904621766898422 | [
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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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[
3.13899324,
0.751695... | [
true,
true,
true
] | Si64 | Si | A | [
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1
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14,
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... | 64 | 1 | 3 | [
1,
1,
1
] | [
"Si_md_299"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/1483/MD_3101952567039602716161483.json | null | {"kinetic-energy": 3e-06, "hash": "3101952567039602716161483350548054110430725370773779748260809319389821226503759588055209182057554342427490163401334810519556883756981922497754201010389333", "id": "MD_3101952567039602716161483"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
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