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[
0.241... | [
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[
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... | [
true,
true,
true
] | C6Cu144 | CCu24 | A24B | [
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... | 150 | 2 | 3 | [
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"C_G_M_-_M_L_P_-_C_u_-_C_-_O_Training_Dataset_deposition__deposition_192"
] | 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_1285238504137745329416994 | 12852385041377453294169940852945629687558092378750273939760587969941554699831062104054920243902039935827614617103443290953890209606325693255241042091745261 | 2025-04-16T16:10:41 | DS_6sjhg1f8fv5j_0 | 1 | CP2K | DFT-PBE+D3 | -890.949251 | [
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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 | null | null | null | null | null | 10.605114 | 3.082141 | null | CO_6296999180875753519503764 | 6296999180875753519503764303154566408291993524126246965757069704447854822127714078029424400864154176241061148843852657989664071465266121782201731566619334 | 6453242026552768802961667090433792750415521732075516017553697879900991450905654526385562471892965743326627751587250290525370674425166950711304781327318295 | [
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[
6.76593927,
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[
11.81282245,
16.65... | [
true,
true,
true
] | Cu288 | Cu | A | [
"Cu"
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1
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... | 288 | 1 | 3 | [
1,
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] | [
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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... |
PO_7385613023970226005156274 | 7385613023970226005156274002564652830870818981113654132748108143724221149198177608203709869471235280562934129073324103640771948026114617931312174482443041 | 2025-04-16T15:45:59 | DS_6sjhg1f8fv5j_0 | 1 | CP2K | DFT-PBE+D3 | -533.52386 | [
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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 | null | null | null | null | null | 6.497277 | 1.268948 | null | CO_4562504698504066079534653 | 4562504698504066079534653258202885430509758302424498669922688701547599214247508498113218557626738601680802705593763658923236646377237646054204086388516080 | 11524166246995080876038328858210455999446856960167712541594724157682677478631474504874076296556617228435999620945809243426384905513755975483883525800158587 | [
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[
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[
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[
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[
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[
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[
1.39667031,
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[
-0.02048574,
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1... | [
true,
true,
true
] | C6Cu144 | CCu24 | A24B | [
"C",
"Cu"
] | [
0.04,
0.96
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29,
29,
29,
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... | 150 | 2 | 3 | [
1,
1,
1
] | [
"Carbon_Cluster_Training_Set_118",
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"C_G_M_-_M_L_P_-_C_u_-_C_-_O_Training_Dataset_deposition__deposition_157"
] | 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... |
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