{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [7.702846100897498, -0.4755211805632197, 0.0, -0.18271126669857063, 4.406908425133307, 0.0, 1.7753287100265455e-17, -2.3889034760332442e-20, 19.17529836]]}, "__ase_objtype__": "cell"}, "ctime": 24.891417758232805, "dipole": {"__ndarray__": [[3], "float64", [5.289333979246685, -12.386618439326522, -0.04790459462270622]]}, "energy": -20.477051701315467, "forces": {"__ndarray__": [[8, 3], "float64", [0.00223572, 0.00114683, 0.00772673, -0.0064027, 0.00165242, -0.00374148, 0.00220357, 0.00190967, -0.00127802, 0.00187533, 0.00294851, -0.00380659, 0.00104236, 0.00385008, 0.00440544, -0.0025985, -0.00360978, 0.00098616, 0.00169251, -0.00427889, -0.00691542, -6.961e-05, -0.00356858, 0.00268226]]}, "free_energy": -20.477051702624667, "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": 24.891417758232805, "numbers": {"__ndarray__": [[8], "int64", [35, 35, 35, 35, 47, 47, 47, 47]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[8, 3], "float64", [4.53729292, 0.04648672, 11.61906354, 0.78125967, 2.12127522, 11.32826973, 2.68677354, 0.50957213, 7.53956907, 6.22743905, 2.66848848, 7.96540711, 1.10060421, 2.56342348, 7.7555127, 7.2584369, 0.21940049, 9.45992792, 5.78476886, 2.34615555, 10.93211861, 2.12686669, 4.15225623, 10.10096536]]}, "stress": {"__ndarray__": [[6], "float64", [8.282868514268128e-07, -8.206942368688522e-07, -6.920196744102147e-07, 2.7305983587931538e-05, 2.0961619469996866e-05, -1.996660570482318e-05]]}, "unique_id": "4d667db5cf32070e6158fe989caeee66", "user": "cmr"}, "ids": [1], "nextid": 2}