{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.738412850506181, 8.983738135228937e-17, 0.0, -1.8692064252530904, 3.2375604983725483, 0.0, 1.5127661552269277e-19, 1.823763895648466e-36, 18.880962332615354]]}, "__ase_objtype__": "cell"}, "ctime": 24.84589959778166, "dipole": {"__ndarray__": [[3], "float64", [3.068577186469897, -1.7716438646375405, 3.0242917374465516e-13]]}, "energy": -8.293174309040433, "forces": {"__ndarray__": [[3, 3], "float64", [0.0, -0.0, 0.0, -0.0, -0.0, 0.00276182, 0.0, 0.0, -0.00276182]]}, "free_energy": -8.305584628305906, "initial_magmoms": {"__ndarray__": [[3], "float64", [0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[3], "float64", [0.0, 0.0, 0.0]]}, "mtime": 24.84589959778166, "numbers": {"__ndarray__": [[3], "int64", [13, 35, 35]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[3, 3], "float64", [0.0, 0.0, 9.44048117, 1.86920643, 1.07918683, 11.20212978, 1.86920643, 1.07918683, 7.67883255]]}, "stress": {"__ndarray__": [[6], "float64", [-1.1907714313690793e-05, -1.1907714313692141e-05, -3.3493801227080647e-05, 0.0, 9.540607069249736e-26, 0.0]]}, "unique_id": "5aadf5d1c472e371907d3c3dfbc2eebc", "user": "cmr"}, "ids": [1], "nextid": 2}