{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.757360932512288, -0.00017216459213985612, 0.0, -1.878829561002816, 3.253870305820697, 0.0, 2.381938849444069e-16, 5.360280180614442e-21, 19.53811720680754]]}, "__ase_objtype__": "cell"}, "ctime": 24.891399928844255, "dipole": {"__ndarray__": [[3], "float64", [-1.2861240051516023, 0.7000747480836947, -1.3271373305565465e-06]]}, "energy": -15.340762187201289, "forces": {"__ndarray__": [[4, 3], "float64", [0.00019744, -1.168e-05, 0.00428315, 0.0002109, -0.00024379, 0.00959172, -0.00020089, -1.584e-05, -0.00960014, -0.00020693, 0.00027051, -0.00427348]]}, "free_energy": -15.417281357916709, "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": 24.891399928844255, "numbers": {"__ndarray__": [[4], "int64", [29, 16, 16, 29]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[4, 3], "float64", [-0.00019006, 2.17084639, 11.49195809, 1.87861182, 1.08688016, 7.91569338, 2.178e-05, 0.00159773, 11.62238885, -4.95e-06, 2.17147795, 8.04610639]]}, "stress": {"__ndarray__": [[6], "float64", [-6.318541856079945e-05, -6.42783280998183e-05, 0.0007421519364828867, 2.6811278738430444e-07, 2.833740821594993e-07, -7.589303419369785e-07]]}, "unique_id": "7c3ced8203580d0f2aea93ab51dad26c", "user": "cmr"}, "ids": [1], "nextid": 2}