{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.43465395626024, -2.118771259265804e-18, 0.0, 1.4504457263109206e-17, 4.434653956260301, 0.0, -1.036890893271507e-17, 1.2062455031666556e-33, 33.0334]]}, "__ase_objtype__": "cell"}, "ctime": 24.891412469986797, "dipole": {"__ndarray__": [[3], "float64", [2.5795682262601782e-14, 9.535846827524234e-14, -1.4674274251124077e-13]]}, "energy": -11.934232745063873, "forces": {"__ndarray__": [[4, 3], "float64", [-0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0, 0.0, 0.00350754, 0.0, 0.0, -0.00350754]]}, "free_energy": -11.955212994053353, "initial_magmoms": {"__ndarray__": [[4], "float64", [0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[4], "float64", [0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.891412469986797, "numbers": {"__ndarray__": [[4], "int64", [47, 47, 34, 34]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[4, 3], "float64", [0.0, 2.21732698, 16.5167, 2.21732698, -0.0, 16.5167, 2.21732698, 2.21732698, 17.94935142, -0.0, 0.0, 15.08404858]]}, "stress": {"__ndarray__": [[6], "float64", [-8.438797561224569e-06, -8.438797561224257e-06, -9.305475694893486e-06, 0.0, -2.6480360320196203e-24, 0.0]]}, "unique_id": "4a45193cf1fb646a4fd4526817dc5cbf", "user": "cmr"}, "ids": [1], "nextid": 2}