{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [5.260505146004078, 2.238712715742852e-18, 0.0, 4.961660783342311e-16, 8.159717708566918, 0.0, 1.1125759958055494e-15, 1.1125759958055494e-15, 18.169744886120114]]}, "__ase_objtype__": "cell"}, "ctime": 24.896486686620108, "dipole": {"__ndarray__": [[3], "float64", [-4.090838040196719, 25.022644693522494, 0.0013787645780878146]]}, "energy": -23.535235995408506, "free_energy": -23.53523682278004, "initial_magmoms": {"__ndarray__": [[8], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.896486686620108, "numbers": {"__ndarray__": [[8], "int64", [53, 53, 34, 34, 34, 34, 47, 47]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[8, 3], "float64", [5.23390263, 7.98796017, 6.95723098, 2.61728682, 7.79110997, 11.20374138, 2.98576072, 4.84527655, 8.14825984, 0.35355777, 2.78074121, 10.02632506, 4.5917335, 4.85262075, 10.06276532, 1.96208073, 2.77497131, 8.11305564, 3.78051442, 0.96961103, 9.0556641, 1.14403305, 6.66767027, 9.11073672]]}, "tags": {"__ndarray__": [[8], "int32", [0, 0, 0, 0, 0, 0, 0, 0]]}, "unique_id": "28a3b9fe669e67d757cf7fb84766c596", "user": "cmr"}, "ids": [1], "nextid": 2}