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-2.0443,
-0.5411
],
[
-0.384,
-2.0358,
-1.0365
],
[
1.8411,
-2.0792,
-1.1322
],
[
-1.2646,
-1.9566,
0.0651
],
[
-0.4839,
-1.9501,
1.2419
],
[
-0.8572,
-1.8475,
2.247
]... | [
false,
false,
false
] | C19H37ClEuSi4 | C19ClEuH37Si4 | A37B19C4DE | [
"C",
"Cl",
"Eu",
"H",
"Si"
] | [
0.3064516129032258,
0.016129032258064516,
0.016129032258064516,
0.5967741935483871,
0.06451612903225806
] | [
6,
6,
6,
1,
6,
6,
1,
1,
1,
1,
63,
17,
6,
6,
6,
1,
6,
6,
1,
1,
1,
1,
6,
14,
6,
6,
14,
14,
6,
6,
6,
14,
6,
6,
6,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 62 | 5 | 0 | [
0,
0,
0
] | [
"OMol25_train_4M_data0064_16593"
] | null | data/MD/2997/MD_3518071166240216127122997.json | null | null | null | {"basis_set": "def2-TZVPD", "charge": -2, "composition": "C19Cl1Eu1H37Si4", "data_id": "metal_complexes", "homo_energy": [1.154551897627878, 1.0169439185026528], "homo_lumo_gap": [3.369885256643664, 3.468118360191629], "input": "RI-J, COSX, DEFGRID3", "integrated_densities": [134.00006970309, 127.000056741287, 261.0001... |
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