{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.035236, 0.0, 0.0, 0.0, 4.035236, 0.0, 0.0, 0.0, 4.035236]]}, "__ase_objtype__": "cell"}, "ctime": 24.842180260778, "dipole": {"__ndarray__": [[3], "float64", [1.2885491684327789e-06, 1.1809806131082788e-06, 1.2671551843577524e-06]]}, "energy": -30.674747597759875, "forces": {"__ndarray__": [[4, 3], "float64", [-1.6001479421533863e-05, -1.6001479421533863e-05, 1.9588145311905588e-05, -1.6001479421533863e-05, 1.9588145311905595e-05, -1.6001479421533863e-05, 1.9588145311905588e-05, -1.6001479421533863e-05, -1.6001479421533863e-05, 1.2132125518085363e-05, 1.2132125518085363e-05, 1.2132125518085365e-05]]}, "mtime": 24.842180260778, "numbers": {"__ndarray__": [[4], "int64", [78, 78, 78, 40]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[4, 3], "float64", [2.017619999862962, 2.017619999862962, 0.0, 2.017619999862962, 0.0, 2.017619999862962, 0.0, 2.017619999862962, 2.017619999862962, 0.0, 0.0, 0.0]]}, "stress": {"__ndarray__": [[6], "float64", [-0.00956553776855329, -0.009565537768553296, -0.009565537768553296, -0.00025461726557102384, -0.00025461726557102465, -0.00025461726557102454]]}, "unique_id": "614a79dcaf0fe585b7ebaa1f1c7925d2", "user": "cmr"}, "ids": [1], "nextid": 2}