{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [2.732599135729289, -7.359985083922752e-18, 0.0, -4.065242224776034e-18, 7.564523888088157, 0.0, 9.097377533667306e-17, -4.773933318472678e-37, 18.719326942140118]]}, "__ase_objtype__": "cell"}, "ctime": 24.98755623665257, "dipole": {"__ndarray__": [[3], "float64", [-5.0206614521112824e-15, 0.1289254312524928, 8.084663877701651e-08]]}, "energy": -18.46458637175541, "forces": {"__ndarray__": [[6, 3], "float64", [0.0, 0.00732435, -0.00376543, 0.0, 0.00056952, 0.00374587, 0.0, -0.00057766, -0.00374988, 0.0, -0.00731976, 0.0037603, 0.0, 0.00131897, -0.00312291, 0.0, -0.00131524, 0.00312833]]}, "free_energy": -18.484737427504975, "initial_magmoms": {"__ndarray__": [[6], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[6], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.98755623665257, "numbers": {"__ndarray__": [[6], "int64", [47, 34, 34, 47, 34, 34]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[6, 3], "float64", [0.0, -0.00299419, 9.3630199, 1.36629957, 1.76034795, 11.13102309, 0.0, 2.02193804, 7.58827599, 1.36629957, 3.78527772, 9.35627645, 2.73259914, 5.53822761, 11.13576617, 1.36629957, 5.80857901, 7.58352595]]}, "stress": {"__ndarray__": [[6], "float64", [-7.453368854823746e-05, -4.8122684866282874e-06, 1.054089471716672e-05, -1.7594930408794352e-05, 0.0, 0.0]]}, "unique_id": "22be051a29ddeb0d694092e274eb402b", "user": "cmr"}, "ids": [1], "nextid": 2}