{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.1912465107015855, 3.4109351181977197e-17, 0.0, -2.0956232553507927, 3.629725951790462, 0.0, 1.0304204920656424e-16, 4.29394426216597e-34, 17.44401802976163]]}, "__ase_objtype__": "cell"}, "ctime": 24.891348026438656, "dipole": {"__ndarray__": [[3], "float64", [1.8957417417809237, -1.0945070049312313, -2.015677919402442e-13]]}, "energy": -10.101000767569278, "forces": {"__ndarray__": [[3, 3], "float64", [-0.0, 0.0, 0.0, 0.0, 0.0, -0.00123633, 0.0, 0.0, 0.00123633]]}, "free_energy": -10.105388583223721, "initial_magmoms": {"__ndarray__": [[3], "float64", [1.0, 1.0, 1.0]]}, "magmom": 0.9844011872500519, "magmoms": {"__ndarray__": [[3], "float64", [0.1624349, 0.24520742, 0.24520742]]}, "mtime": 24.891348026438656, "numbers": {"__ndarray__": [[3], "int64", [47, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[3, 3], "float64", [0.0, 0.0, 8.72200901, 2.09562326, 1.20990865, 9.78134163, 2.09562326, 1.20990865, 7.6626764]]}, "stress": {"__ndarray__": [[6], "float64", [2.0929526751579544e-06, 2.09295267515811e-06, 6.432173669199896e-05, 0.0, -1.2362716433368332e-23, 0.0]]}, "unique_id": "e21f7fb02b364a94562b4e2eb239730a", "user": "cmr"}, "ids": [1], "nextid": 2}