{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.083369623282981, -5.316716750951253e-19, 0.0, -1.1780805339921162e-18, 5.309613490232008, 0.0, -8.361925664751655e-18, 0.0, 17.17617052436032]]}, "__ase_objtype__": "cell"}, "ctime": 24.994044565554248, "dipole": {"__ndarray__": [[3], "float64", [5.645949497256603e-15, -3.980380587258575, 1.623005829728545e-06]]}, "energy": -55.427503436230054, "free_energy": -55.44533145970642, "mtime": 24.994044565554248, "numbers": {"__ndarray__": [[6], "int64", [41, 8, 8, 41, 8, 8]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[6, 3], "float64", [-0.0, 0.10742239, 8.63766494, 1.54168481, 0.76272002, 9.76335179, 0.0, 1.89208827, 7.41282591, 1.54168481, 2.54739215, 8.53850704, 3.08336962, 3.5214014, 9.52978783, 1.54168481, 4.44302044, 7.64637581]]}, "unique_id": "4a806bac56b154ae075c148a78f6309b", "user": "cmr"}, "ids": [1], "nextid": 2}