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... | 193 | 2 | 3 | [
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"C_G_M_-_M_L_P_-_C_u_-_C_-_O_Training_Dataset_deposition__deposition_1045"
] | null | data/MD/3341/MD_4178802015180711158523341.json | data/MD/2360/MD_5085563091843178930982360.json | null | {"config_type": "deposition", "hash": "5085563091843178930982360100539406021215696347708504656720957170424303591863714685556596531403026063781709596599516565635016083334750335589969203795829992", "id": "MD_5085563091843178930982360"} | {"input": {"cutoff-energy": {"value": 300, "units": "Ry"}, "relative-cutoff-energy": {"value": 60, "units": "Ry"}, "scheme": "QUICKSTEP"}, "hash": "4178802015180711158523341789665647106270915003175636797223149523631617352424712633254110378226507537845096425680076758458702686284378534857806338422045244", "id": "MD_41788... |
PO_1184146275571604328840410 | 11841462755716043288404100920637228868467440388341061520772824276711759396584484782666418271566009118361380801325626501160124119337035267526932647198059481 | 2025-04-16T15:40:54 | DS_xzo1tvni8bay_0 | 1 | CP2K | DFT-PBE+D3 | -1,420.617307 | [
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... | [
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true,
true
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"C",
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... | 249 | 2 | 3 | [
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PO_6396861017726934143635768 | 6396861017726934143635768188592760304797702035720425860668061913466702620214339969977023436760421308480403369492429887849894494020444831310960596399276910 | 2025-04-16T15:23:03 | DS_xzo1tvni8bay_0 | 1 | CP2K | DFT-PBE+D3 | -741.059083 | [
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[
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[
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[
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[
12.7514281,
17.... | [
true,
true,
true
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1
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... | 288 | 1 | 3 | [
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] | null | data/MD/3341/MD_4178802015180711158523341.json | data/MD/8848/MD_8041769497871336756638848.json | null | {"config_type": "metal_surface", "hash": "8041769497871336756638848319743004227555484317990585045426020494630790487036267289371643695078154005944188700497279119886098681806582457831451980474337646", "id": "MD_8041769497871336756638848"} | {"input": {"cutoff-energy": {"value": 300, "units": "Ry"}, "relative-cutoff-energy": {"value": 60, "units": "Ry"}, "scheme": "QUICKSTEP"}, "hash": "4178802015180711158523341789665647106270915003175636797223149523631617352424712633254110378226507537845096425680076758458702686284378534857806338422045244", "id": "MD_41788... |
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