{"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": 20.635543235719354,
 "energy": -656.64396086,
 "forces": {"__ndarray__": [[96, 3], "float64", [0.007293, -0.010069, 0.001744, 0.010366, -0.010515, 0.006215, -0.035617, 0.018368, -0.012775, 0.010993, 0.028539, 0.02006, -0.021929, 0.038452, 0.021018, -0.019378, 0.016136, -0.031256, -0.023518, 0.027664, -0.01527, -0.009133, 0.041402, 0.014989, -0.020127, 0.017338, 0.00264, -0.001716, -0.010081, 0.012977, -0.0022, -0.003623, -0.002086, 0.012173, -0.021104, -0.004089, 0.022095, 0.008371, -0.02069, -0.010648, 0.015844, 0.038109, -0.033275, 0.006583, -0.020073, 0.001039, -0.004365, 0.010594, 0.02349, 0.023166, -0.008399, -0.009743, 0.002549, -0.001596, -0.001039, 0.004365, -0.010594, -0.02349, -0.023166, 0.008399, -0.022095, -0.008371, 0.02069, 0.009743, -0.002549, 0.001596, 0.033275, -0.006583, 0.020073, 0.010648, -0.015844, -0.038109, -0.012173, 0.021104, 0.004089, 0.0022, 0.003623, 0.002086, 0.001716, 0.010081, -0.012977, 0.009133, -0.041402, -0.014989, 0.020127, -0.017338, -0.00264, 0.023518, -0.027664, 0.01527, 0.035617, -0.018368, 0.012775, 0.019378, -0.016136, 0.031256, 0.021929, -0.038452, -0.021018, -0.010993, -0.028539, -0.02006, -0.010366, 0.010515, -0.006215, -0.007293, 0.010069, -0.001744, -0.000751, 0.015855, 0.012563, -0.023911, -0.002743, 0.019165, -0.002696, 0.015964, -0.005198, -0.000991, -0.017494, -0.001444, 0.015648, -0.009771, 0.006719, -0.000848, 0.021133, -0.031636, -0.011387, 0.015383, 0.013677, -0.008121, 0.00773, -0.0071, 0.004518, 0.024798, -0.019254, -0.009003, -0.028489, 0.016883, 0.005769, 0.034778, -0.008974, -0.012051, -0.0372, 0.014167, -0.034441, 0.003499, 0.010047, -0.028534, 0.015575, 0.01375, -0.007077, -0.012818, 0.013351, 0.022416, 0.002508, 0.008905, -0.004498, 0.031895, 0.038701, -0.042596, -0.000332, -0.033437, -0.004245, 0.019032, 0.00467, -0.011225, 0.010497, -0.012354, -0.00726, -0.008155, -0.017236, 0.006547, 0.04533, 0.035914, -0.026746, 0.009035, -0.037012, -0.006809, -0.000817, 0.00444, -0.00945, -0.006657, 0.00942, 0.035309, 0.004524, -0.016099, 0.031143, 0.006051, -0.014668, 0.009295, 0.004132, 0.017757, -0.009908, -0.001962, 0.005916, -0.009508, 0.008633, -0.024867, -0.009295, -0.004132, -0.017757, 0.009908, 0.001962, -0.005916, 0.00945, 0.006657, -0.00942, 0.009508, -0.008633, 0.024867, -0.031143, -0.006051, 0.014668, -0.035309, -0.004524, 0.016099, -0.006547, -0.04533, -0.035914, 0.006809, 0.000817, -0.00444, 0.026746, -0.009035, 0.037012, 0.042596, 0.000332, 0.033437, 0.00726, 0.008155, 0.017236, -0.022416, -0.002508, -0.008905, 0.011225, -0.010497, 0.012354, 0.004498, -0.031895, -0.038701, 0.004245, -0.019032, -0.00467, 0.028534, -0.015575, -0.01375, 0.007077, 0.012818, -0.013351, 0.034441, -0.003499, -0.010047, -0.004518, -0.024798, 0.019254, 0.012051, 0.0372, -0.014167, -0.005769, -0.034778, 0.008974, 0.008121, -0.00773, 0.0071, 0.009003, 0.028489, -0.016883, 0.011387, -0.015383, -0.013677, 0.002696, -0.015964, 0.005198, 0.000848, -0.021133, 0.031636, -0.015648, 0.009771, -0.006719, 0.000991, 0.017494, 0.001444, 0.000751, -0.015855, -0.012563, 0.023911, 0.002743, -0.019165]]},
 "free_energy": -656.64396086,
 "key_value_pairs": {"perms_num": 8},
 "mtime": 25.588354406030614,
 "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", [6.82008, 13.38332, 9.05288, 7.76635, 14.07034, 10.94647, 9.11492, 12.78343, 13.65042, 6.54721, 10.19782, 13.52031, 6.06256, 10.56535, 7.5427, 5.19656, 9.21598, 10.81807, 10.67995, 13.91934, 12.45521, 7.62869, 11.70135, 6.3494, 5.97816, 8.35199, 12.60767, 8.33431, 10.25815, 14.75867, 5.42415, 8.14374, 8.93978, 7.18967, 6.68383, 12.61008, 11.29899, 10.94402, 14.94526, 12.23118, 14.32734, 9.18114, 10.87883, 13.34455, 6.478, 9.72929, 8.3374, 14.75939, 7.00395, 7.82137, 6.35004, 6.82007, 6.22228, 8.93965, 10.27071, 11.6626, 5.24061, 12.99605, 12.17863, 13.64996, 8.70101, 9.05598, 5.05474, 13.17993, 13.77772, 11.06035, 9.12117, 6.65545, 13.522, 7.76882, 5.67266, 10.81886, 12.81033, 13.31617, 7.38992, 14.57585, 11.85626, 11.06022, 11.66569, 9.74185, 5.24133, 12.37131, 8.29865, 13.6506, 14.02184, 11.64801, 7.39233, 9.32005, 6.08066, 7.54479, 10.88508, 7.21657, 6.34958, 14.80344, 10.78402, 9.18193, 13.93744, 9.43465, 12.4573, 13.45279, 9.80218, 6.47969, 12.23365, 5.92966, 9.05353, 13.17992, 6.61668, 10.94712, 8.14071, 12.14295, 11.81343, 6.75052, 10.60213, 10.55234, 7.36761, 11.04977, 11.7867, 7.57971, 12.63028, 9.33278, 8.24739, 13.11474, 10.66757, 6.9362, 11.27039, 9.40728, 9.73982, 13.30485, 10.59337, 8.53638, 12.43167, 8.18674, 9.33194, 12.23223, 12.70997, 7.37205, 9.96642, 12.82586, 7.02557, 10.55799, 8.09733, 6.2861, 9.17815, 10.65304, 10.38979, 12.99987, 11.9025, 8.08423, 11.32524, 7.29095, 6.86494, 8.67359, 12.0477, 8.66357, 9.98141, 13.74063, 7.29623, 9.08784, 8.24473, 9.78428, 10.89427, 13.22025, 9.81475, 12.82972, 8.21312, 10.43233, 13.27729, 9.4477, 6.44384, 8.37015, 9.30148, 9.21715, 10.48164, 6.78067, 11.70416, 12.28841, 11.75429, 7.76971, 7.42699, 12.04878, 11.14798, 10.83301, 13.85602, 11.93024, 13.27921, 9.34632, 10.84347, 12.48991, 7.17371, 9.5696, 8.73459, 13.74058, 7.7228, 8.34592, 7.00572, 7.34945, 7.12238, 9.30211, 10.4304, 11.26541, 6.25942, 12.2772, 11.65408, 12.99428, 8.85202, 9.16699, 6.14398, 12.65055, 12.87762, 10.69789, 9.15653, 7.51009, 12.82629, 8.06976, 6.72079, 10.65368, 10.78285, 9.51836, 13.21933, 12.23029, 12.57301, 7.95122, 8.29584, 7.71159, 8.24571, 10.21572, 9.10573, 6.77975, 13.55616, 11.62985, 10.69852, 11.33643, 10.01859, 6.25937, 9.56767, 6.72271, 10.5523, 12.70377, 10.91216, 11.75527, 10.18525, 7.17028, 11.78688, 11.91577, 8.67476, 12.70905, 13.13506, 11.32641, 7.9523, 9.61021, 7.00013, 8.0975, 10.66806, 7.76777, 7.29003, 13.7139, 10.82185, 9.34696, 12.97443, 9.44201, 11.90267, 11.46362, 7.56833, 11.81326, 12.62795, 10.03358, 7.17414, 10.26018, 6.69515, 9.40663, 12.63239, 8.95023, 8.2133, 13.0638, 8.72961, 10.59272, 11.75261, 6.88526, 9.33243, 12.42029, 7.36972, 10.66722, 11.85929, 7.85705, 8.18657, 13.24948, 9.39787, 9.44766]]},
 "stress": {"__ndarray__": [[6], "float64", [3.919667731054687e-06, -4.532583927216423e-05, 0.00013960383461863085, 5.4232472794799634e-05, 8.859822204191285e-05, 0.00010101258369329465]]},
 "unique_id": "d115f4b088301cc106a9651b83a0b19d",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}