{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 20.6361647802677,
 "energy": -611.51919598,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.000278, -0.002244, -0.005872, 0.00817, 0.000458, -0.002409, 0.00198, -0.005011, 0.003731, 0.002209, 5.4e-05, -0.001678, 0.001424, 0.000194, 0.003159, -0.000162, -0.00417, -0.00317, -0.001426, 0.001507, -0.000404, -0.004109, -0.00158, -0.000653, -0.002401, 0.000749, -0.001, 0.002364, 0.004209, 0.001812, -0.002973, -0.004152, 0.004428, 0.000644, -0.000962, -0.004332, 0.002973, 0.004152, -0.004428, -0.000644, 0.000962, 0.004332, -0.002364, -0.004209, -0.001812, 0.001426, -0.001507, 0.000404, 0.002401, -0.000749, 0.001, 0.004109, 0.00158, 0.000653, -0.001424, -0.000194, -0.003159, 0.000162, 0.00417, 0.00317, -0.002209, -5.4e-05, 0.001678, -0.00198, 0.005011, -0.003731, -0.000278, 0.002244, 0.005872, -0.00817, -0.000458, 0.002409, -0.001793, -0.002281, 0.002044, -0.00442, -0.002124, -0.007623, 0.003651, -0.002002, -5.9e-05, 0.004443, 0.002369, 0.00229, 0.002934, 0.00142, -0.002233, -0.005118, -0.002886, 0.004078, 0.001168, -0.000942, -0.003158, 0.011218, -0.011239, -9.3e-05, -0.001504, -0.010125, -0.006234, 0.003906, 0.002813, 0.001865, -0.0029, -0.00788, 0.004693, 0.010753, -1.9e-05, -0.004316, -0.002863, -0.000328, -0.006312, 0.000743, -0.00693, 0.001963, 0.004587, 0.001766, 0.000588, 0.006029, -0.00438, -0.000318, -0.000913, 0.000956, -0.006717, -0.005695, 0.009826, 0.003419, 0.002297, -0.001913, -0.001037, 0.007633, 0.003679, -0.00262, -0.003221, 0.004853, -0.004655, 0.009387, 0.002277, -0.000391, 0.005316, -0.000668, 0.001885, 0.007327, 0.001615, 0.003253, 0.00302, 0.008902, -0.008175, -0.002051, 0.001911, 0.009046, -0.006843, 0.000107, 0.001021, -0.009066, -0.003695, -0.004266, 0.002851, 0.004914, -0.003746, -0.001728, 0.004774, 0.015242, 0.009066, 0.003695, 0.004266, -0.002851, -0.004914, 0.003746, -0.00302, -0.008902, 0.008175, 0.001728, -0.004774, -0.015242, 0.006843, -0.000107, -0.001021, 0.002051, -0.001911, -0.009046, -0.009387, -0.002277, 0.000391, -0.007327, -0.001615, -0.003253, -0.005316, 0.000668, -0.001885, 0.005695, -0.009826, -0.003419, 0.003221, -0.004853, 0.004655, -0.006029, 0.00438, 0.000318, -0.007633, -0.003679, 0.00262, 0.000913, -0.000956, 0.006717, -0.002297, 0.001913, 0.001037, -0.000743, 0.00693, -0.001963, -0.004587, -0.001766, -0.000588, 0.002863, 0.000328, 0.006312, 0.001504, 0.010125, 0.006234, -0.010753, 1.9e-05, 0.004316, 0.0029, 0.00788, -0.004693, -0.011218, 0.011239, 9.3e-05, -0.003906, -0.002813, -0.001865, -0.001168, 0.000942, 0.003158, -0.003651, 0.002002, 5.9e-05, 0.005118, 0.002886, -0.004078, -0.002934, -0.00142, 0.002233, -0.004443, -0.002369, -0.00229, 0.001793, 0.002281, -0.002044, 0.00442, 0.002124, 0.007623]]},
 "free_energy": -611.81371603,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.36084183091085,
 "numbers": {"__ndarray__": [[84], "int32", [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[84, 3], "float64", [7.12766, 13.21425, 12.45806, 5.24648, 11.14741, 10.84114, 6.65988, 13.59797, 9.28592, 7.96799, 13.61562, 7.36108, 9.09717, 13.1148, 13.69503, 5.28688, 8.82229, 10.74735, 8.47422, 10.96366, 5.35972, 12.16732, 13.74043, 12.47625, 7.21398, 6.85493, 12.67044, 12.3612, 14.31533, 9.26057, 9.32365, 8.38107, 14.6531, 7.1822, 8.12572, 6.35054, 10.67635, 11.61893, 5.3469, 12.8178, 11.87428, 13.64946, 7.6388, 5.68467, 10.73943, 11.52578, 9.03634, 14.64028, 12.78602, 13.14507, 7.32956, 7.83268, 6.25957, 7.52375, 10.90283, 6.8852, 6.30497, 14.71312, 11.17771, 9.25265, 12.03201, 6.38438, 12.63892, 13.34012, 6.40203, 10.71408, 12.87234, 6.78575, 7.54194, 14.75352, 8.85259, 9.15886, 7.84093, 12.50852, 11.98023, 6.28231, 10.7931, 10.64877, 7.26753, 11.14783, 11.7409, 7.44851, 12.81794, 9.35586, 8.28291, 12.92215, 10.59352, 6.91044, 11.40587, 9.43832, 9.66558, 13.22126, 10.58455, 8.31185, 12.79455, 8.0172, 9.20883, 12.47851, 12.79759, 7.73617, 9.9766, 12.38198, 7.27192, 10.6705, 8.28528, 6.32029, 9.19973, 10.63574, 10.24337, 12.99882, 11.83541, 8.0669, 11.43113, 7.42693, 7.20716, 8.82734, 11.79399, 8.82059, 9.98879, 13.28506, 7.09931, 9.27267, 8.1915, 9.67562, 11.10754, 13.23675, 9.80782, 12.92476, 8.20477, 10.39007, 13.41717, 9.38971, 6.93032, 8.57145, 9.40165, 8.90011, 10.77694, 6.36668, 11.7278, 12.84822, 11.98523, 7.8421, 7.4868, 12.00985, 10.9954, 10.73335, 13.33865, 11.90256, 13.31147, 9.35033, 10.74525, 12.3165, 7.40253, 9.58235, 8.72361, 13.63244, 7.855, 8.44267, 7.1708, 7.6451, 7.39623, 9.40255, 10.41765, 11.27639, 6.36756, 12.145, 11.55733, 12.8292, 9.0046, 9.26665, 6.66135, 12.3549, 12.60377, 10.59745, 9.25475, 7.6835, 12.59747, 8.09744, 6.68853, 10.64967, 11.09989, 9.22306, 13.63332, 12.1579, 12.5132, 7.99015, 8.2722, 7.15178, 8.01477, 10.32438, 8.89246, 6.76325, 13.06968, 11.42855, 10.59835, 11.17941, 10.01121, 6.71494, 9.60993, 6.58283, 10.61029, 12.90069, 10.72733, 11.8085, 10.19218, 7.07524, 11.79523, 11.9331, 8.56887, 12.57307, 12.79284, 11.17266, 8.20601, 9.75663, 7.00118, 8.16459, 10.79117, 7.52149, 7.20241, 13.67971, 10.80027, 9.36426, 12.72808, 9.3295, 11.71472, 11.68815, 7.20545, 11.9828, 12.26383, 10.0234, 7.61802, 10.33442, 6.77874, 9.41545, 12.73247, 8.85217, 8.2591, 13.08956, 8.59413, 10.56168, 11.71709, 7.07785, 9.40648, 12.55149, 7.18206, 10.64414, 12.15907, 7.49148, 8.01977, 13.71769, 9.2069, 9.35123]]},
 "stress": {"__ndarray__": [[6], "float64", [9.950837999395678e-05, 9.841611589692722e-05, 7.059146821373965e-05, 9.71178819987435e-06, 2.5677568543883727e-05, -3.807320566788788e-06]]},
 "unique_id": "6aa04e571c654350f88f65c17bb36d4f",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}