{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.274050780004667, 0.002576450178700532, 0.0, -0.003926371985869535, 7.795373223117602, 0.0, 6.585613500443255e-18, -2.934022872045294e-24, 22.03921506]]}, "__ase_objtype__": "cell"}, "ctime": 24.842146562495397, "dipole": {"__ndarray__": [[3], "float64", [-1.762957330456532e-07, 1.8063074665898862e-06, -0.00021377166159603848]]}, "energy": -30.55749361651122, "forces": {"__ndarray__": [[12, 3], "float64", [-0.00346883, -0.00245845, 0.00715276, 0.00346883, 0.00245845, 0.00715276, 0.00439818, -0.00202446, -0.00594952, -0.00439818, 0.00202446, -0.00594952, 0.0, 0.0, 0.00172354, -0.0, 0.0, -0.00112775, 0.00315801, 0.00361575, -0.00109007, -0.00315801, -0.00361575, -0.00109007, -0.00375787, 0.00573947, 0.00235552, 0.00375787, -0.00573947, 0.00235552, 0.0, 0.0, 0.00067373, -0.0, 0.0, -0.00620115]]}, "free_energy": -30.55749361945831, "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": 24.842146562495397, "numbers": {"__ndarray__": [[12], "int64", [47, 47, 47, 47, 47, 47, 35, 35, 35, 35, 35, 35]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[12, 3], "float64", [3.59749795, 2.56181404, 12.74980097, 0.67262642, 5.23613563, 12.74980097, 2.80892781, 6.45904622, 9.28941761, 1.4611966, 1.33890345, 9.28941761, -0.0, 8e-08, 14.30501371, 2.1350622, 3.89897468, 7.73393159, 1.32122779, 2.14490689, 14.4934051, 2.94889661, 5.65304271, 14.4934051, 0.81160592, 6.04203868, 7.54544499, 3.45851849, 1.75591107, 7.54544499, -0.00392637, 7.79537315, 11.09921454, 2.1350622, 3.89897491, 10.9409925]]}, "stress": {"__ndarray__": [[6], "float64", [-5.633219397314158e-05, -0.00012104806433684307, -3.4884670607480937e-05, -2.9667274581926597e-24, 1.676201013878853e-23, 1.0600922322057042e-05]]}, "unique_id": "80cc45bed77cf3bbdb14e68bb452c34a", "user": "cmr"}, "ids": [1], "nextid": 2}