{"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": 20.635545673785217,
 "energy": -655.44047845,
 "forces": {"__ndarray__": [[96, 3], "float64", [-0.008977, -0.005639, -0.007032, -0.003355, -0.000607, 0.008064, -0.003128, -0.003417, -0.0058, 0.000249, 0.01116, -0.00241, -0.004265, -0.00117, 0.009375, -0.006822, 0.00296, 0.00103, 0.00317, 0.003595, -0.011406, -0.006152, -0.009837, 0.00224, 0.00656, 0.001447, 0.010772, -0.008201, -0.002382, -0.011933, -0.004333, -0.006751, 0.014757, 0.00657, 0.012281, 0.001093, -0.00799, 0.00736, 0.00389, -0.007881, 0.000147, 0.018239, -0.008707, 0.005235, 0.00304, -0.016729, -0.001997, -0.013142, -0.001778, 0.017236, -0.003967, -0.008737, 0.004432, 0.003338, 0.008717, -0.005053, -0.00288, 0.007564, -0.005461, -0.002974, 0.003731, -0.018378, 0.00644, 0.004808, -0.005938, -0.015139, 0.018923, 0.005667, 0.001863, 0.008634, -0.006301, 0.000185, -0.002271, -0.007262, 0.017651, 0.011597, 0.008761, 0.000588, -0.006993, -0.00594, -0.013462, -0.006709, -0.007183, 0.001107, 0.001959, 0.004871, 0.011166, 0.00296, 0.007177, -0.010179, 0.010636, 0.007731, 0.005054, 0.001452, -0.009351, 0.00547, 0.005086, -0.003214, -0.003206, 0.005874, -0.002434, -0.009037, 0.003287, -0.006802, 0.001935, 0.005456, 0.001362, 0.000583, 0.007441, 0.011197, -0.009771, -0.004202, 0.005714, -0.022417, 0.008455, -0.008267, -0.006754, 0.0162, 0.013758, 0.015584, -0.023344, -0.038784, -0.010612, 0.00818, -0.021141, 0.037785, 0.001474, -0.004243, -0.001517, 0.012755, 0.010712, -0.005139, -0.00923, -0.011105, 0.0128, 0.008641, 0.014858, -0.008804, -9.4e-05, -0.002465, 0.008435, -0.001368, 0.001661, -0.015592, 0.008333, 0.002632, -0.004748, 0.001535, -0.005819, -0.013357, -0.00369, -0.006111, 0.007102, -0.02254, 0.031312, -0.018713, -0.016491, 0.022172, 0.02902, 0.001699, 0.000878, -0.006151, -0.013664, -0.001387, 0.006467, -0.039754, -0.009313, 0.011655, -0.00172, 0.006666, 0.001471, -0.010289, 0.025382, -0.002545, -0.004478, 0.009825, 0.016876, -0.022943, -0.007904, -0.003184, -0.002892, 0.005553, -0.004642, -0.014884, 0.016927, -0.009614, -0.00764, 0.00318, 0.001086, -2e-05, 0.022106, 0.009462, -0.018555, 0.002682, 0.012402, 0.002, 0.007076, 0.005281, 0.008151, -0.000646, 0.001075, 0.003809, -0.01239, -0.001985, 0.021534, -0.000934, -0.008604, 0.009738, -0.016461, 0.006686, 0.007828, -0.013337, -0.010082, 0.007011, 0.004357, -0.005269, 0.019928, -0.001137, 0.006544, 0.017152, -0.011523, -0.021842, -0.002828, -0.020762, 0.002245, 0.030241, -0.008794, 0.018154, 0.010141, -0.03881, -0.00267, 0.00271, -0.004719, 0.001503, 0.003189, 0.001444, -0.002671, 0.004379, -0.00653, -0.003949, 0.02648, 0.000695, -0.029517, 0.000378, -0.003669, 0.010347, -0.003803, 0.01762, -0.004318, -0.002341, -0.002605, -0.007077, 0.00553, 0.015135, -0.001437, -0.006674, -0.007752, -0.000464, 0.009762, 0.011531, 0.006331, -0.006307, 0.001635, -0.014999, -0.008319, -0.006903, -0.006554, 0.001994, -0.007832, 0.024038, -0.013421, 0.000986, -0.030215, 0.02042, 0.042118, -0.060361, 0.004769, 0.023744, -0.05415, -0.01529, 0.006125, 0.010141, -0.004208, -0.013868, 0.057421, -0.01507, -0.030779, 0.0745]]},
 "free_energy": -655.44047845,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.588809883579888,
 "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", [9.65559, 14.64529, 10.48703, 7.67139, 13.48504, 7.51361, 8.92572, 13.28629, 13.43188, 7.05187, 10.03659, 13.63967, 6.02897, 10.59382, 7.58934, 5.30767, 9.10911, 10.96433, 10.78591, 13.9894, 12.38264, 7.61538, 11.61362, 6.26772, 6.52891, 8.07803, 12.54664, 9.2759, 11.51316, 14.7145, 9.69099, 14.39173, 7.6197, 5.46883, 8.137, 8.97878, 11.52115, 10.70282, 14.72342, 12.44768, 14.35783, 8.92651, 11.38736, 13.22001, 6.41764, 9.5795, 8.48219, 14.86422, 7.09123, 7.8, 6.41771, 6.89371, 6.22273, 8.9047, 10.19873, 11.66313, 5.27576, 12.63184, 12.31516, 13.58156, 8.68737, 9.13232, 5.13646, 13.38799, 13.67464, 11.07268, 8.80815, 6.55287, 13.582, 7.36955, 5.87696, 11.09448, 11.66421, 9.77958, 5.28627, 9.62982, 5.11575, 11.02053, 14.27216, 11.0632, 12.38119, 12.27235, 8.22997, 13.733, 13.55365, 11.98178, 7.61794, 9.24438, 6.10571, 7.454, 10.94582, 7.2083, 6.36095, 14.52518, 11.10799, 9.51419, 14.03372, 8.86211, 12.48562, 11.79246, 6.40595, 12.41124, 13.45878, 9.99458, 6.56851, 10.60341, 5.26291, 9.03545, 8.19481, 12.18539, 11.74834, 6.77797, 10.61458, 10.57873, 7.39028, 11.06595, 11.75131, 7.81495, 12.43613, 9.37421, 8.40931, 12.86157, 10.54348, 7.00414, 11.29821, 9.40255, 9.73203, 13.53692, 10.52986, 8.3265, 12.73397, 7.9881, 9.2706, 12.47917, 12.76216, 7.63623, 9.94779, 12.69816, 7.01804, 10.59143, 8.0967, 6.37048, 9.16677, 10.6728, 10.38261, 13.09861, 11.85742, 8.04781, 11.3795, 7.26273, 7.19666, 8.6968, 11.9118, 9.06938, 9.94246, 13.18281, 7.31114, 9.11779, 8.2711, 9.63388, 11.26912, 13.69544, 9.77708, 13.33657, 7.94442, 10.51193, 13.19736, 9.27923, 6.49444, 8.36762, 9.32624, 9.21435, 10.53389, 6.86421, 11.63714, 12.31592, 11.63764, 8.32796, 7.74586, 11.69054, 11.11141, 10.78044, 13.69553, 11.98506, 13.4214, 9.29754, 10.85372, 12.56036, 7.13226, 9.59674, 8.68017, 13.77359, 7.7834, 8.35894, 7.07833, 7.41249, 7.11159, 9.3182, 10.39896, 11.29864, 6.30398, 12.1698, 11.6038, 12.86666, 8.86966, 9.20945, 6.22685, 12.64064, 12.94543, 10.70125, 9.12508, 7.38436, 12.92108, 8.05343, 6.64652, 10.68159, 10.75056, 9.41713, 13.13647, 11.69715, 12.27337, 8.36046, 8.37258, 7.71438, 8.31005, 10.23348, 9.09881, 6.81798, 12.88278, 11.47493, 10.72029, 11.32104, 10.04565, 6.30508, 9.53214, 6.1626, 10.67325, 13.24215, 10.8194, 12.05582, 9.99314, 7.17, 11.72899, 11.91537, 8.5692, 12.73832, 12.83031, 11.32297, 8.14207, 9.62693, 6.93201, 8.08848, 10.68079, 7.73723, 7.3023, 13.44736, 10.83925, 9.46989, 13.1166, 9.25359, 12.01239, 11.48507, 7.34632, 11.90422, 12.58465, 10.07438, 7.23775, 10.32978, 6.2919, 9.32678, 12.63596, 8.96092, 8.25212, 12.99089, 8.67598, 10.62622, 11.58074, 7.12663, 9.42155, 12.16079, 7.55234, 10.59722, 11.82017, 7.84955, 8.24811, 13.21236, 9.37304, 9.45585]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00014226271750625711, 0.0001720596820732238, 0.00021322243475842384, -3.2805371965642405e-05, 1.3575282348796085e-05, 5.733450283036361e-05]]},
 "unique_id": "b7d39c59501df99ffc5935cffa70df1d",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}