{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [14.954511671, 0.0, 0.0, 0.0, 6.055202298, 0.027487422, 0.0, 1.929109404, 14.629377721]]}, "ctime": 20.0208049266791, "energy": -187.66087962, "forces": {"__ndarray__": [[30, 3], "float64", [0.0, 0.084716, -0.004805, 0.0, -0.075064, 0.03661, 0.0, 0.01037, -0.059384, 0.0, 0.15373, 0.039658, 0.0, 0.049373, -0.005841, 0.0, 0.067509, 0.219689, 0.0, 0.158492, -0.229365, 0.0, 0.103905, -0.039685, 0.0, 0.17087, -0.045593, 0.0, -0.14234, -0.027008, 0.0, 0.054253, -0.008653, 0.0, 0.027258, 0.059386, 0.0, 0.0282, -0.124092, 0.0, -0.040653, 0.003761, 0.0, 0.141414, 0.225028, 0.0, 0.011056, -0.10899, 0.0, -0.065269, -0.014796, 0.0, -0.068194, -0.095477, 0.0, 0.063633, -0.146155, 0.0, -0.213726, 0.059877, 0.0, -0.030949, 0.008738, 0.0, -0.083041, -0.015139, 0.0, -0.072852, 0.088437, 0.0, 0.028154, 0.01696, 0.0, 0.013008, 0.135981, 0.0, 0.070146, -0.099884, 0.0, -0.101124, -0.07978, 0.0, -0.136162, 0.187307, 0.0, -0.103274, -0.044407, 0.0, -0.103438, 0.067621]]}, "free_energy": -187.68197397, "mtime": 25.074114655942715, "numbers": {"__ndarray__": [[30], "int32", [5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[30, 3], "float64", [7.47726, 7.80715, 13.74057, 7.47726, 6.81235, 6.40124, 7.47726, 7.03074, 10.8772, 7.47726, 6.11302, 3.5506, 7.47726, 6.33899, 8.01372, 7.47726, 5.33731, 0.68616, 7.47726, 6.61455, 12.5207, 7.47726, 5.64155, 5.1519, 7.47726, 5.90686, 9.64958, 7.47726, 4.93375, 2.26528, 7.47726, 5.21922, 6.79449, 7.47726, 5.32901, 11.30999, 7.47726, 4.53143, 3.93712, 7.47726, 4.63762, 8.4358, 7.47726, 3.77086, 1.06035, 7.47726, 4.95176, 12.90863, 7.47726, 3.94567, 5.58383, 7.47726, 4.20872, 10.03548, 7.47726, 3.23778, 2.72096, 7.47726, 4.38983, 14.4583, 7.47726, 3.51495, 7.17819, 7.47726, 3.75083, 11.68169, 7.47726, 2.81674, 4.31058, 7.47726, 3.04659, 8.81729, 7.47726, 2.08983, 1.43023, 7.47726, 2.35656, 5.9678, 7.47726, 1.65488, 3.1243, 7.47726, 0.88121, 0.31961, 7.47726, 2.13357, 12.052, 7.47726, 1.44875, 9.23212]]}, "stress": {"__ndarray__": [[6], "float64", [3.124499468417159e-05, -0.00042680063553702315, 0.0003410423001473871, -0.0007537184005325364, -0.0, -0.0]]}, "unique_id": "e599d711126543cfbb34fbac0dd28080", "user": "hecc"}, "ids": [1], "nextid": 2}