{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [8.165353141911512, 2.5514154058162287e-07, 0.0, 1.9543191926158767e-07, 5.724976452228952, 0.0, 6.220323626970241e-17, 9.948347804159377e-25, 19.37374142]]}, "__ase_objtype__": "cell"}, "ctime": 24.8914339981528, "dipole": {"__ndarray__": [[3], "float64", [-13.325884342150426, 9.37068667184576, -8.546796335988211e-08]]}, "energy": -12.29426714746288, "forces": {"__ndarray__": [[6, 3], "float64", [0.0001078, -7.005e-05, -0.00078704, 9.757e-05, 0.00011488, 0.00078433, 0.00458631, 1.93e-06, -1e-08, -0.00485307, 8.1e-07, -0.0, 0.00029649, -1.75e-05, 2.798e-05, -0.00022885, -1.547e-05, -2.563e-05]]}, "free_energy": -12.297665449380771, "initial_magmoms": {"__ndarray__": [[6], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[6], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.8914339981528, "numbers": {"__ndarray__": [[6], "int64", [53, 53, 53, 53, 47, 47]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[6, 3], "float64", [5.153368, 0.82687517, 11.9168638, 5.15336768, 3.68923334, 7.45687748, 0.66934114, 2.25804645, 9.68687045, 1.47269672, 5.12053488, 9.68687097, 5.58435404, 2.25806651, 9.68687363, 4.72234592, 5.12055471, 9.68686734]]}, "stress": {"__ndarray__": [[6], "float64", [-5.1696802051029246e-06, 5.435454310757811e-06, 8.358012096341829e-06, 4.561661450590337e-07, -2.5137896579533864e-08, 1.8882026824203426e-09]]}, "unique_id": "9fc0a3ecbe597bf1cb2a68b13dd46724", "user": "cmr"}, "ids": [1], "nextid": 2}