{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.226375692860247, -1.7282996569893146e-08, 0.0, -1.3001071047089892e-06, 8.571719443378647, 0.0, -7.718413998451107e-18, -2.4406614518039268e-27, 18.73038556]]}, "__ase_objtype__": "cell"}, "ctime": 24.711441942402992, "dipole": {"__ndarray__": [[3], "float64", [-3.221833387164539e-07, -6.534338259235463e-07, 1.6238335490040944e-07]]}, "energy": -16.698892268523096, "forces": {"__ndarray__": [[8, 3], "float64", [0.0, 0.0, -0.00364371, -0.0, 0.0, 0.00364292, 0.00058557, 0.00218229, -0.00826624, -0.00058557, -0.00218229, -0.00826624, -0.00058543, 0.00218314, 0.008267, 0.00058543, -0.00218314, 0.008267, -0.0, 0.0, 5.618e-05, 0.0, 0.0, -5.691e-05]]}, "free_energy": -16.699969497856106, "initial_magmoms": {"__ndarray__": [[8], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[8], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.711441942402992, "numbers": {"__ndarray__": [[8], "int64", [47, 47, 35, 35, 35, 35, 35, 35]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[8, 3], "float64", [-6.5e-07, 4.28585972, 8.25203167, 2.11318785, -1e-08, 10.47835445, 4.22552367, 1.67174123, 11.22695117, 0.00085072, 6.89997819, 11.22695136, 2.11403879, 5.95760079, 7.50343382, 2.11233556, 2.61411855, 7.50343382, -6.5e-07, 4.28585972, 11.0915231, 2.11318785, -1e-08, 7.63886284]]}, "stress": {"__ndarray__": [[6], "float64", [-5.639804177539888e-05, -0.00010565777019109644, 8.349975638464816e-05, 0.0, -2.3251726453584973e-23, 1.043004490712118e-09]]}, "unique_id": "52d35e69119a9ee24f2231f3173979ef", "user": "cmr"}, "ids": [1], "nextid": 2}