{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [17.006455932, 0.055611061, 0.40180286, 0.055533745, 15.724441919, 0.29982429, 0.4018638, 0.301264767, 16.021735403]]},
 "ctime": 20.60264961269747,
 "energy": -595.8590151,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.095241, 0.210106, 0.151269, 0.125847, -0.109022, -0.006698, -0.045812, 0.103977, 0.041575, -0.192216, -0.057219, -0.045778, -0.19905, 0.013969, -0.012423, 0.062251, -0.014928, -0.037612, 0.018572, -0.029823, 0.056969, -0.100683, 0.142749, -0.032985, 0.038281, -0.026142, 0.035495, -0.032037, -0.026766, -0.046185, 0.000759, 0.095285, 0.27866, 0.197823, -0.039273, -0.052215, -0.013088, 0.059731, -0.104419, -0.191524, -0.064116, 0.018009, 0.005011, -0.137737, -0.115322, 0.001126, -0.106273, -0.00225, -0.111837, 0.067483, -0.051641, 0.104412, -0.271839, -0.123268, 0.056095, 0.078417, 0.046744, 0.01282, -0.115557, -0.089659, 0.079266, 0.040385, -0.030417, 0.049009, 0.036138, -0.036925, -0.120872, 0.022871, 0.006499, 0.048346, 0.037013, 0.096479, -0.046505, 0.03091, 0.033643, 0.044034, -0.115418, 0.09997, 0.040138, 0.053178, 0.141951, -0.012277, -0.115124, -0.009564, -0.062905, -0.025135, -0.013648, -0.026462, -0.025777, -0.095236, 0.002137, -0.092969, -0.096809, -0.038893, -0.100405, 0.061699, -0.079945, 0.014487, -0.028015, -0.084914, -0.061096, -0.015716, 0.075224, 0.147261, 0.085091, 0.11799, -0.006384, 0.125737, -0.038067, 0.050799, 0.075674, -0.146608, 0.04653, -0.170942, 0.062489, 0.053775, 0.019945, -0.031476, 0.028769, -0.062094, -0.039724, 0.008842, -0.005774, -0.120853, 0.031115, -0.085108, 0.0249, -0.043582, -0.021656, 0.079622, -0.068947, -0.112851, -0.084, 0.040264, -0.163787, 0.054846, 0.05963, -0.006494, 0.016833, 0.048965, -0.037376, -0.164929, 0.081124, -0.05134, -0.04168, 0.093581, 0.030337, 0.037861, -0.093204, -0.01175, -0.029274, 0.013049, -0.002009, -0.014953, -0.114284, -0.121332, -0.059638, 0.035276, -0.076957, 0.075757, 0.014875, -0.08886, 0.022797, 0.035549, -0.005577, -0.037186, 0.078405, 0.026668, -0.007532, 0.058733, 0.052047, 0.089731, 0.029634, -0.064712, 0.00445, -0.10127, 0.052186, 0.048714, -0.035165, 0.137042, -0.093644, -0.002364, -0.106921, 0.028123, 0.077457, 0.042509, -0.101342, -0.072625, 0.01011, 0.090447, 0.086396, -0.044393, -0.03049, -0.019071, 0.012986, -0.014738, -0.163068, -0.04933, -0.037291, 0.006422, 0.063294, 0.109427, -0.001816, 0.016013, 0.056684, 0.028514, -0.009495, 0.017491, -0.023467, 0.122799, 0.00245, -0.036136, -0.03973, 0.031573, -0.023926, 0.009171, 0.131415, 0.036777, 0.182877, -0.017662, -0.025259, 0.020801, -0.003248, -0.069018, 0.043126, 0.113438, 0.009423, 0.024089, 0.07837, 0.153805, -0.007096, 0.121553, 0.072537, 0.170903]]},
 "free_energy": -595.97923731,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.644205620853686,
 "numbers": {"__ndarray__": [[78], "int32", [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__": [[78, 3], "float64", [13.42642, 6.72541, 7.66966, 9.81504, 9.2349, 13.11532, 5.6283, 4.25358, 7.47889, 11.57203, 4.84822, 5.99159, 13.61737, 9.03396, 7.78464, 12.7019, 8.94296, 11.08402, 4.21461, 6.1289, 7.40546, 8.7286, 12.13579, 5.83344, 12.59831, 9.63738, 5.79438, 4.73472, 8.98874, 5.6701, 8.08924, 12.85285, 8.98068, 8.99101, 12.16518, 11.06092, 9.95798, 6.89159, 13.10675, 6.59264, 11.58796, 5.73545, 4.84423, 9.71777, 10.68912, 7.46882, 6.9726, 3.75887, 7.58586, 4.79842, 11.96671, 9.39355, 9.65649, 3.76642, 6.77529, 10.27011, 10.03737, 5.31417, 8.69546, 8.79746, 5.70281, 9.23605, 10.16589, 6.43284, 10.53985, 7.6487, 7.01687, 10.97275, 8.88264, 5.59614, 9.43369, 7.61174, 8.31501, 11.77316, 8.98686, 7.10093, 10.78527, 6.29728, 7.90428, 10.29732, 10.90608, 6.18687, 7.99212, 10.8796, 5.64595, 8.74582, 6.25322, 5.31926, 7.31506, 8.82842, 8.9286, 11.29727, 10.3826, 6.88892, 9.41946, 5.64906, 5.88174, 6.86998, 10.09933, 7.42232, 7.99653, 11.60929, 5.81319, 7.25158, 6.41156, 8.22385, 9.20416, 11.66378, 8.60021, 11.19995, 6.40772, 9.15612, 11.43769, 7.80403, 5.25502, 6.44909, 7.59354, 7.83147, 8.73243, 4.99565, 10.23605, 10.53061, 10.28907, 6.65292, 5.68168, 10.16952, 9.65005, 8.85482, 12.09026, 10.40584, 10.90975, 7.85715, 9.60812, 10.23142, 5.83256, 8.21103, 6.87725, 11.77323, 6.83065, 6.58469, 5.79775, 6.20958, 5.17519, 7.67446, 9.26751, 9.22585, 4.78008, 10.58913, 9.48585, 11.08191, 7.76594, 7.22302, 4.79473, 11.02944, 10.46798, 9.06068, 7.81205, 5.54536, 11.17432, 6.9512, 5.0128, 8.98776, 9.65865, 7.25352, 12.09986, 10.70207, 10.18566, 6.62509, 7.18809, 5.40656, 6.52833, 9.2106, 6.82735, 5.08236, 11.92284, 9.43241, 9.0762, 10.05683, 7.95102, 5.06758, 8.31564, 4.55988, 9.01807, 11.80252, 8.784, 10.45533, 8.89123, 4.99348, 10.25125, 10.53621, 6.65511, 11.03072, 11.83896, 9.22392, 6.48083, 8.51489, 5.00754, 6.58099, 9.5245, 5.68723, 5.8175, 12.53996, 8.7812, 7.84437, 11.49739, 7.33714, 10.27324, 10.17426, 5.48897, 10.2724, 11.21247, 7.9547, 5.92107, 9.09774, 4.53151, 7.82799, 11.54458, 6.86357, 6.66155, 11.80121, 6.62743, 9.08156, 10.44039, 4.96324, 7.867, 10.97103, 5.47716, 9.05053, 10.86532, 5.53217, 6.51689, 12.43272, 7.19035, 7.84091]]},
 "stress": {"__ndarray__": [[6], "float64", [-0.00034951826954033655, 0.00048039023289185676, 0.00041585302853022386, -7.637110566430755e-05, -0.00044924510235369927, -0.00013765648377135528]]},
 "unique_id": "f144fe887381470a6c0b7e3877e0515a",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}