{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.719367598212387, 1.3988996248972722e-32, 0.0, 1.4867442640766673e-18, 7.769701812294426, 0.0, 6.278352524730521e-20, -5.5995659117835814e-42, 21.49977442]]}, "__ase_objtype__": "cell"}, "ctime": 24.924778569819566, "dipole": {"__ndarray__": [[3], "float64", [-6.4173602172362576e-06, -7.29467896545971, -3.5703827432237294e-14]]}, "energy": -30.575866860599916, "forces": {"__ndarray__": [[12, 3], "float64", [0.00040117, 0.0084606, -0.00263428, -0.00040113, 0.00846401, 0.00264133, -0.00040113, 0.00846401, -0.00264133, 0.00040117, 0.0084606, 0.00263428, -0.00010474, -0.00368755, 0.0, 0.00010144, -0.00355017, 0.0, 0.00164102, -0.00441593, -0.00785131, -0.00164107, -0.00443734, 0.00787818, -0.00164107, -0.00443734, -0.00787818, 0.00164102, -0.00441593, 0.00785131, -0.00185376, -0.0042599, 0.0, 0.00185708, -0.00457109, 0.0]]}, "free_energy": -30.575867283087156, "initial_magmoms": {"__ndarray__": [[12], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[12], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.924778569819566, "numbers": {"__ndarray__": [[12], "int64", [35, 35, 35, 35, 35, 35, 47, 47, 47, 47, 47, 47]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[12, 3], "float64", [1.18485752, 1.36607195, 13.99588372, 3.53451007, 5.25092286, 7.5038907, 3.53451007, 5.25092286, 13.99588372, 1.18485752, 1.36607195, 7.5038907, 1.17267653, 5.36255022, 10.74988721, 3.54669107, 1.47769931, 10.74988721, 1.17293182, 6.52222044, 13.55008493, 3.54643578, 2.63736954, 7.94968949, 3.54643578, 2.63736954, 13.55008493, 1.17293182, 6.52222044, 7.94968949, 1.18871612, 0.25405627, 10.74988721, 3.53065148, 4.13898487, 10.74988721]]}, "stress": {"__ndarray__": [[6], "float64", [7.6680995428806e-05, -0.00022781951090597585, 0.00016083928688855113, 0.0, -2.2395315675614515e-25, 2.3242458896213626e-10]]}, "unique_id": "7d9a551f49a15d23c945cb1603f794f4", "user": "cmr"}, "ids": [1], "nextid": 2}