{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.697098033929763, 4.013780937123662e-18, 0.0, -1.8485490169648786, 3.2017064992610003, 0.0, 1.5696340608418885e-16, -1.2226829426656856e-33, 36.36696]]}, "__ase_objtype__": "cell"}, "ctime": 24.927715320313236, "dipole": {"__ndarray__": [[3], "float64", [-1.5695892271764353, 0.901012745914249, 6.023986083059505e-07]]}, "energy": -21.85597997214299, "forces": {"__ndarray__": [[5, 3], "float64", [0.0, 0.00056999, 0.00059814, 0.0, -0.00061098, 0.00370473, 0.0, -0.00056998, -0.0005803, -0.0, -1e-08, -2.268e-05, 0.0, 0.00061105, -0.00373347]]}, "free_energy": -21.855997551454593, "initial_magmoms": {"__ndarray__": [[5], "float64", [0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[5], "float64", [0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.927715320313236, "numbers": {"__ndarray__": [[5], "int64", [13, 34, 13, 34, 34]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[5, 3], "float64", [0.0, 0.00016324, 19.9633379, 0.0, 2.13474383, 21.19626552, 0.0, 2.13473466, 16.40362389, 1.84854902, 1.06744894, 18.18348231, 0.0, 0.00015406, 15.17069774]]}, "stress": {"__ndarray__": [[6], "float64", [-1.399464601440874e-05, -1.4573420265265703e-05, -4.424087307048469e-05, 3.815414082625262e-06, 0.0, 0.0]]}, "unique_id": "cf3c46b87b4bc44a6003b5fedfca992b", "user": "cmr"}, "ids": [1], "nextid": 2}