{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [5.471789239808754, -3.1831349201671607e-18, 0.0, -2.9774733289366373e-19, 5.560271077419636, 0.0, 3.666829326609484e-18, 0.0, 16.324422163229553]]}, "__ase_objtype__": "cell"}, "ctime": 24.98990013678488, "dipole": {"__ndarray__": [[3], "float64", [-1.5008599426676028e-07, 6.230185561393225e-08, -2.115860786041308e-09]]}, "energy": -31.08922606761516, "free_energy": -31.089226069529428, "initial_magmoms": {"__ndarray__": [[6], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.98990013678488, "numbers": {"__ndarray__": [[6], "int64", [78, 78, 16, 16, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[6, 3], "float64", [2.73589461, -0.0, 8.16221108, 0.0, 2.78013554, 8.16221108, 0.58860186, 0.63294113, 7.51984504, 3.3244966, 2.14719433, 8.80457691, 4.88318738, 4.92732995, 8.80457712, 2.14729264, 3.41307675, 7.51984524]]}, "unique_id": "1794bd997c6199b7ce5584ae173b80ac", "user": "cmr"}, "ids": [1], "nextid": 2}