{"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": 20.635549827361608,
 "energy": -654.79248308,
 "forces": {"__ndarray__": [[96, 3], "float64", [0.000829, 0.009614, 0.00606, 0.011662, 0.005508, 0.002229, -0.009358, 0.00414, 0.001641, 0.004527, -0.00774, -0.002804, -0.001109, 4.9e-05, -0.002293, -0.004186, 0.000265, 0.010348, 0.001905, 0.00666, -0.003976, -0.005365, -0.00818, -0.009638, -0.000607, -0.010887, 0.003791, -0.002605, -0.005361, -0.012616, 0.001429, 0.000957, -0.001005, 0.001637, -0.014115, -0.000579, 0.000494, 0.000206, -0.002155, -0.00793, 0.001619, -0.009502, 0.002217, -0.004446, -0.009063, 0.009587, 0.00867, 0.000352, 0.000456, -0.009396, 0.00876, 0.007305, 0.011123, -0.002907, -0.000456, 0.009396, -0.00876, -0.009587, -0.00867, -0.000352, -0.007305, -0.011123, 0.002907, 0.00793, -0.001619, 0.009502, -0.002217, 0.004446, 0.009063, 0.002605, 0.005361, 0.012616, -0.000494, -0.000206, 0.002155, -0.001637, 0.014115, 0.000579, -0.001429, -0.000957, 0.001005, 0.000607, 0.010887, -0.003791, 0.005365, 0.00818, 0.009638, 0.001109, -4.9e-05, 0.002293, -0.001905, -0.00666, 0.003976, -0.004527, 0.00774, 0.002804, 0.004186, -0.000265, -0.010348, 0.009358, -0.00414, -0.001641, -0.011662, -0.005508, -0.002229, -0.000829, -0.009614, -0.00606, 0.003325, -0.007613, 0.014961, -0.009953, 0.006137, -0.000872, -0.004598, -0.003055, 0.000238, 0.005665, 0.002423, 0.000891, -0.000292, 0.002816, -0.013148, 0.004307, 0.000984, -0.00678, -0.004465, 0.001312, -0.004365, -0.003797, 0.016414, 0.009654, -0.008972, -0.008132, 0.002893, 0.008653, -0.00335, -0.008411, -0.001233, 0.00898, -0.001155, -0.007104, -0.015815, 0.007094, 0.004542, -0.0094, 0.001764, -0.003284, -0.001296, -0.010372, 0.00253, -0.001619, -0.003891, -0.008832, 0.001479, 0.000691, -0.012021, 0.008693, 0.007923, 0.009619, 0.018821, 0.010133, -0.00295, -0.010331, -0.009318, -0.002805, -0.004817, -0.000814, -0.001077, 0.016892, -0.001159, 0.004451, -0.007407, 0.006028, 0.009948, -0.002231, 0.002788, -0.016476, -0.005865, -0.001629, -0.003394, 0.00257, -0.005761, -0.000693, 0.000904, -0.005639, -0.01058, -0.010742, -0.012222, 3.1e-05, -0.007604, -0.002579, 0.008996, -0.009434, -0.009878, -0.000774, 0.003379, 0.0001, -3.1e-05, 0.007604, 0.002579, -0.008996, 0.009434, 0.009878, 0.003394, -0.00257, 0.005761, 0.000774, -0.003379, -0.0001, 0.01058, 0.010742, 0.012222, 0.000693, -0.000904, 0.005639, -0.004451, 0.007407, -0.006028, 0.016476, 0.005865, 0.001629, -0.009948, 0.002231, -0.002788, -0.009619, -0.018821, -0.010133, 0.001077, -0.016892, 0.001159, 0.008832, -0.001479, -0.000691, 0.002805, 0.004817, 0.000814, 0.012021, -0.008693, -0.007923, 0.00295, 0.010331, 0.009318, 0.003284, 0.001296, 0.010372, -0.00253, 0.001619, 0.003891, -0.004542, 0.0094, -0.001764, 0.008972, 0.008132, -0.002893, 0.007104, 0.015815, -0.007094, 0.001233, -0.00898, 0.001155, 0.003797, -0.016414, -0.009654, -0.008653, 0.00335, 0.008411, 0.004465, -0.001312, 0.004365, 0.004598, 0.003055, -0.000238, -0.004307, -0.000984, 0.00678, 0.000292, -0.002816, 0.013148, -0.005665, -0.002423, -0.000891, -0.003325, 0.007613, -0.014961, 0.009953, -0.006137, 0.000872]]},
 "free_energy": -654.7924943,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.170563023433353,
 "numbers": {"__ndarray__": [[96], "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, 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__": [[96, 3], "float64", [6.57898, 13.64607, 9.17434, 7.61392, 14.25839, 11.03692, 5.55685, 11.62177, 9.05718, 7.74084, 13.5336, 7.28455, 8.78658, 13.27527, 13.47256, 6.75576, 10.3507, 13.55212, 5.14002, 9.1609, 10.80701, 10.62887, 14.1304, 12.28436, 6.02121, 8.38276, 12.69098, 9.31851, 11.53399, 14.70665, 9.84917, 14.15747, 7.35788, 10.54811, 14.71179, 9.53726, 5.58983, 8.06445, 8.95412, 8.80819, 11.29874, 5.51116, 7.38338, 6.63517, 12.60032, 11.45838, 10.93969, 14.76094, 7.08811, 7.95554, 6.49855, 7.09455, 6.28635, 9.30481, 12.91189, 12.04446, 13.50145, 8.54162, 9.06031, 5.23906, 12.90545, 13.71365, 10.69519, 11.19181, 8.70126, 14.48884, 12.61662, 13.36483, 7.39968, 10.68149, 8.46601, 5.29335, 14.41017, 11.93555, 11.04588, 9.45189, 5.28821, 10.46274, 10.15083, 5.84253, 12.64212, 13.97879, 11.61724, 7.30902, 9.37113, 5.8696, 7.71564, 11.21342, 6.72473, 6.52744, 14.85998, 10.8391, 9.19299, 12.25916, 6.4664, 12.71545, 13.24424, 9.6493, 6.44788, 14.44315, 8.37823, 10.94282, 12.38608, 5.74161, 8.96308, 13.42102, 6.35393, 10.82566, 8.21986, 12.20748, 11.67541, 6.66573, 10.66599, 10.6055, 7.4205, 11.05198, 11.65396, 7.35207, 12.88322, 9.33644, 8.07654, 13.31112, 10.66354, 6.61088, 11.48137, 9.36831, 9.5499, 13.23275, 10.59219, 8.22772, 12.8403, 7.99596, 9.195, 12.50197, 12.79166, 7.44526, 10.02396, 12.74887, 7.31094, 10.66345, 8.32081, 6.23834, 9.22056, 10.68938, 10.28035, 13.12457, 11.90254, 8.07701, 11.41929, 7.50866, 6.86697, 8.71113, 12.07231, 8.83959, 10.01863, 13.25371, 7.27714, 9.25785, 8.30244, 9.5958, 11.25676, 13.67201, 9.74108, 13.28248, 8.02921, 10.358, 13.60598, 9.39736, 6.55055, 8.44757, 9.35194, 8.94917, 10.7926, 6.48659, 11.54483, 12.34946, 11.75725, 7.83742, 7.47616, 12.01955, 11.1233, 10.77677, 13.7279, 11.63431, 12.80999, 9.33034, 10.72932, 12.20068, 7.65747, 9.64473, 8.95669, 13.04733, 7.83787, 8.45037, 7.16447, 7.57363, 7.30475, 9.41295, 10.35527, 11.04331, 6.95267, 12.16213, 11.54963, 12.83553, 8.8767, 9.22323, 6.2721, 12.42637, 12.69525, 10.58705, 9.27068, 7.79932, 12.34253, 8.36569, 7.19001, 10.66966, 11.05083, 9.2074, 13.51341, 12.16258, 12.52384, 7.98045, 8.45517, 7.65054, 8.24275, 10.4042, 8.74324, 6.32799, 13.44945, 11.55243, 10.64806, 11.16041, 9.98137, 6.74629, 9.642, 6.39402, 10.60264, 12.72286, 10.74215, 11.69756, 10.25892, 6.71752, 11.97079, 11.92299, 8.58071, 12.49134, 13.13303, 11.28887, 7.92769, 9.71965, 6.87543, 8.09746, 10.805, 7.49803, 7.20834, 13.76166, 10.77944, 9.31062, 12.68906, 9.33655, 11.67919, 11.77228, 7.1597, 12.00404, 12.55474, 9.97604, 7.25113, 10.4501, 6.76725, 9.40781, 12.5795, 8.94802, 8.34604, 13.38912, 8.51863, 10.63169, 11.92346, 6.68888, 9.33646, 12.64793, 7.11678, 10.66356, 11.78014, 7.79252, 8.32459, 13.33427, 9.33401, 9.3945]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00010443917220340457, 0.0001787256138196671, 6.467451756240233e-05, 5.299041247874886e-06, 3.4390715283616753e-06, 3.59760586015911e-05]]},
 "unique_id": "bfaeb287721cc6124ca17f5ddd89ae8e",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}