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2.... | [
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[
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[
11.53778227,
16.240... | [
true,
true,
true
] | Cu288 | Cu | A | [
"Cu"
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1
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... | 288 | 1 | 3 | [
1,
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1
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"C_G_M_-_M_L_P_-_C_u_-_C_Training_Dataset_metal_surface__metal_surface_238",
"C_G_M_-_M_L_P_-_C_u_-_C_-_O_Training_Dataset_deposition__metal_surface_1425"
] | 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_1116765338689026417842497 | 11167653386890264178424973066881560206456199901341285879958440409471740253875738187346687854531510972489006123308957319426129525679671690546490531771764212 | 2025-04-16T16:31:33 | DS_xzo1tvni8bay_0 | 1 | CP2K | DFT-PBE+D3 | -449.74875 | [
[
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[
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[
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[
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[
0.029712,
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[
0.484583,
0.17628,
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[
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[
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[
0.004322,
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[
-0.007501,
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]
] | true | null | null | null | null | null | 8.791956 | 1.580709 | null | CO_1152192586232415154414602 | 11521925862324151544146022268592942608620362987908750731447165801387756468683803924403809665579478505545682497057645986817375923037054094420580161006247320 | 2313768310506772573188370375138883566191049119996940391386159415297534268311035591727602499072251220239977886265103790200797800059315704800101744076295703 | [
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[
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0
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[
0,
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60
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[
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[
1.41342,
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[
0.166104,
2.6607,
11.3617
],
[
0.0361996,
4.47045,
... | [
true,
true,
true
] | C4Cu144 | CCu36 | A36B | [
"C",
"Cu"
] | [
0.02702702702702703,
0.972972972972973
] | [
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29,
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... | 148 | 2 | 3 | [
1,
1,
1
] | [
"C_G_M_-_M_L_P_-_C_u_-_C_Training_Dataset_deposition__deposition_947",
"C_G_M_-_M_L_P_-_C_u_-_C_-_O_Training_Dataset_deposition__deposition_947"
] | 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_5696716399625286595151819 | 5696716399625286595151819984665678916046396069746417032057988973440441035804452930930492179118113857761165412981483150961126328575600141178589506185867312 | 2025-04-16T17:45:01 | DS_xzo1tvni8bay_0 | 1 | CP2K | DFT-PBE+D3 | -925.473452 | [
[
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],
[
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[
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[
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[
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0.691083
],
[
-0.710217,
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],
[
-0.1... | [
[
0.053915,
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[
-0.058563,
0.172427,
0.017322
],
[
0.021081,
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0.098473
]
] | true | null | null | null | null | null | 16.066822 | 1.90153 | null | CO_6688681165104730098311578 | 6688681165104730098311578873463057956698631908211372458154611804602447664500172919665686376548432661224403076800243746303626762578078076190640110065245405 | 6367280530115414526560457067713739442298108227096312753498130441893455128104663066006011935176329170054210875032814367975024409615454941007871175183811122 | [
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0,
0
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[
0,
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0
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[
0,
0,
60
]
] | [
[
14.9272,
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[
0.0351967,
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[
0.034404,
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[
1.32086,
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[
1.20813,
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9.47609
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[
9.70511,
16.7648,
11.1706
],
[
0.0568166,
4.41527,
... | [
true,
true,
true
] | C55Cu144 | C55Cu144 | A144B55 | [
"C",
"Cu"
] | [
0.27638190954773867,
0.7236180904522613
] | [
29,
29,
29,
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29,
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29,
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... | 199 | 2 | 3 | [
1,
1,
1
] | [
"C_G_M_-_M_L_P_-_C_u_-_C_Training_Dataset_deposition__deposition_1073",
"C_G_M_-_M_L_P_-_C_u_-_C_-_O_Training_Dataset_deposition__deposition_1073"
] | 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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