{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [-5.783103495335378, -3.3395495721083193, 0.0, -0.0003983022295081192, 6.679791566404086, 0.0, 6.49459535689112e-16, 1.55841047300864e-19, 24.65400464305802]]}, "__ase_objtype__": "cell"}, "ctime": 24.895915868410505, "dipole": {"__ndarray__": [[3], "float64", [0.008421334535592087, 0.06481238862116134, 0.03915894542440797]]}, "energy": -88.62256425449107, "forces": {"__ndarray__": [[20, 3], "float64", [0.00084586, 0.00317696, -0.00193056, -0.00222257, 0.00293583, -0.00108636, 0.00369344, -0.00288772, -0.0010333, -0.00249217, 0.00176472, -0.00016326, -0.00095552, 3.478e-05, -0.00222465, -0.00021713, -0.00066302, 0.00793091, 0.00086966, -0.0002179, -0.00099518, 0.00184694, 0.00160652, -0.00148407, -0.00145885, 0.0029253, -0.00334356, 0.00513188, 0.00245729, -0.00010591, -0.00078944, -0.00043277, 0.0089518, -0.00046078, 0.00090363, 0.00659687, -0.00115134, -0.00171862, -0.0024945, 0.00074567, -0.0030067, -0.0011769, -0.0029623, -0.00180302, -0.00369632, 0.00145022, -0.00431969, 0.00039742, -0.00171028, -6.653e-05, -0.00189932, -0.00128009, -9.488e-05, 0.0057636, 0.00137834, -0.00046073, -0.0042135, -0.00026207, -0.0001334, -0.00466963]]}, "free_energy": -88.64847244834368, "initial_magmoms": {"__ndarray__": [[20], "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, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[20], "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, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.895915868410505, "numbers": {"__ndarray__": [[20], "int64", [50, 16, 16, 50, 16, 16, 50, 16, 16, 50, 16, 16, 50, 16, 16, 50, 16, 16, 50, 50]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[20, 3], "float64", [-3.8555232, -0.00026492, 8.79168798, -2.16354931, 1.24928671, 10.69226836, -3.80633923, 2.19794782, 7.46992546, -1.91730779, 1.10717979, 15.73091173, -3.85530415, -1.788e-05, 17.1117766, -3.84733748, 2.22187761, 14.02565511, -7.398e-05, -0.00022589, 9.03699172, -3.61964669, -2.09040636, 10.69236305, -2.21e-06, 2.28344453, 7.47005595, -3.86636146, -2.23268818, 15.73091128, -5.647e-05, -5.503e-05, 17.15643705, -0.00016492, 2.23575321, 14.02595613, -1.92787317, 3.33994941, 8.79178106, -0.00026062, 4.18072664, 10.69210176, -1.97710138, -1.14208561, 7.47005233, -0.00047707, 4.46555025, 15.73086998, -1.92784702, 3.33973858, 17.11175519, -1.93573455, -1.11809309, 14.02599982, -3.85564008, -2.226e-05, 12.38295737, -1.92807765, 3.33980659, 12.3830541]]}, "stress": {"__ndarray__": [[6], "float64", [-2.511849980064559e-06, 5.126680122702918e-05, -2.4217325984212753e-05, 7.704491728711682e-07, 4.998314022399065e-06, -1.3947679039117755e-05]]}, "tags": {"__ndarray__": [[20], "int32", [0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1, 2, 2]]}, "unique_id": "88c8cb1dc9a1df69173d38c0f549032d", "user": "cmr"}, "ids": [1], "nextid": 2}