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1,
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6,
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8,
6,... | 81 | 8 | 0 | [
0,
0,
0
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"OMol25_train_data0000_372709"
] | null | data/MD/5253/MD_1620046665856813127875253.json | null | null | null | {"basis_set": "def2-TZVPD", "charge": 0, "composition": "Br2C21F3H39I1N2O12P1", "data_id": "elytes", "homo_energy": [-8.715398772814462], "homo_lumo_gap": [8.999839390927173], "input": "RI-J, COSX, DEFGRID3", "integrated_densities": [206.000030492901, 206.000030492901, 412.000060985803], "lowdin_charges": [-0.143308, -... |
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