{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [19.202028697, 0.059995703, 0.012761883, 0.060121431, 19.481859014, -0.032870266, 0.012772621, -0.032820408, 19.53626639]]},
 "ctime": 20.60262470165355,
 "energy": -616.33547958,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.019117, 0.043692, 0.039955, -0.158353, -0.014022, 0.033617, 0.004206, 0.026275, 0.106535, -0.041357, -0.09126, -0.090817, -0.081206, -0.065551, -0.079441, 0.008694, -0.014073, 0.052079, 0.013164, 0.031805, 0.033358, 0.013254, 0.003594, 0.019979, -0.030896, 0.149183, 0.034543, 0.020404, -0.023939, 0.05666, 0.031747, 0.024453, 0.025633, 0.014091, 0.039823, 0.045662, 0.114464, 0.069876, 0.025145, -0.017657, -0.042306, 0.054792, -0.00255, 0.00048, 0.03304, 0.034417, 0.059991, -0.001762, 0.075819, -0.074548, -0.069598, -0.017375, 0.017695, -0.032298, -0.030412, -0.07798, -0.062716, 0.015669, 0.010557, -0.041771, 0.046847, -0.005206, -0.00105, 0.009868, -0.053704, 0.031312, 0.006323, -0.074988, -0.022543, -0.012738, -0.084134, 0.01521, -0.137625, -0.050603, 0.029975, 0.158175, -0.06612, 0.034638, -0.054367, 0.006701, -0.09411, 0.004598, -0.083528, -0.084872, 0.066826, -0.019919, 0.044796, 0.075122, 0.116549, -0.051203, 0.091906, -0.0399, -0.043731, 0.009636, 0.041794, -0.064243, 0.084165, 0.079187, -0.009697, 0.104826, 0.106358, 0.147482, -0.037057, 0.017892, -0.014006, -0.07322, 0.013507, -0.2057, -0.045105, 0.037317, -0.004984, -0.03909, -0.036467, 0.027014, -0.08873, -0.149028, 0.043899, -0.040182, 0.038473, 0.00089, 0.006321, 0.016442, -0.012967, 0.020695, 0.075363, -0.042307, 0.005744, -0.022614, -0.118038, -0.009622, 0.050002, 0.106075, -0.049682, 0.12096, 0.16193, -0.037332, 0.156828, 0.077419, -0.098195, -0.077015, -0.07493, -0.048389, -0.043336, 0.052522, 0.088081, 0.012117, -0.037856, 0.034076, -0.080901, -0.016065, 0.140965, 0.019485, 0.04251, 0.045178, -0.114805, -0.027132, -0.11157, -0.006807, -0.180826, -0.003078, -0.046528, -0.114025, -0.132645, -0.024594, -0.060757, -0.026817, -0.018533, -0.051373, 0.013163, 0.058301, 0.039507, -0.088014, 0.042167, 0.059357, 0.01254, -0.030301, -0.00745, 0.043245, 0.073859, -0.033059, -0.131244, -0.093257, 0.024727, 0.110188, 0.052907, 0.134035, 0.075721, -0.003875, 0.116017, 0.074871, -0.045805, 0.100638, 0.001473, -0.027897, -0.039892, -0.018113, 0.059663, -0.085265, 0.026657, -0.101944, 0.074652, -0.009232, -0.115881, 0.050068, 0.051301, -0.003846, -0.017157, 0.007753, 0.022179, 0.039475, 0.00981, 0.091031, -0.015763, 0.069091, -0.000202, -0.100333, -0.149085, 0.070244, -0.08672, 0.01681, -0.076577, -0.045518, 0.03538, 0.116848, 0.05581, -0.150231, -0.065475, 0.122694, 0.05117, -0.185403, 0.022488, -0.136945, -0.051632, 0.076338, 0.011664, 0.103456, -0.021134, -0.069654, -0.030104, -0.028256, 0.10431, 0.042781, -0.014966, 0.192226, 0.118903, -0.143996, -0.000321, 0.042958, 0.020755, -0.093681, 0.052913, 0.037101]]},
 "free_energy": -616.4826201,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.58624030806568,
 "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", [7.15521, 13.03783, 12.53037, 4.939, 10.63129, 10.28581, 5.6723, 11.45453, 12.3702, 6.3103, 12.74018, 9.10604, 7.25474, 14.06395, 10.52298, 9.38634, 14.62026, 10.80167, 7.58044, 13.4712, 7.40951, 6.37737, 9.5889, 13.45139, 5.61796, 10.6853, 7.7081, 6.87807, 11.73256, 6.19727, 5.77674, 8.3876, 11.63166, 10.29963, 14.52249, 8.79476, 5.33441, 8.19782, 9.13691, 8.56201, 10.91372, 5.10559, 6.80184, 6.68377, 12.34811, 9.18072, 8.25321, 14.44436, 6.82013, 7.81069, 6.14907, 6.29441, 6.22012, 8.91817, 8.33101, 8.74148, 4.96519, 8.79143, 6.41328, 13.32321, 7.44305, 5.44657, 10.59159, 7.62945, 6.01629, 7.13352, 10.4774, 8.25641, 5.06418, 10.76176, 6.43167, 6.26598, 7.58192, 12.319, 11.81093, 6.02693, 10.57046, 10.44605, 6.55971, 11.09228, 11.83817, 7.34196, 12.35305, 9.2442, 7.83599, 13.13178, 10.46919, 6.97969, 10.86696, 9.37257, 9.35217, 13.56194, 10.49506, 8.02032, 12.55747, 7.8551, 8.97938, 12.00387, 12.25398, 7.06363, 9.77255, 12.60308, 6.69372, 10.45115, 7.91091, 6.80443, 9.31698, 10.21822, 9.9564, 12.70396, 11.57596, 7.55756, 11.32019, 6.95667, 6.85996, 8.64014, 11.56956, 8.47306, 9.7613, 13.08443, 6.86313, 9.00704, 7.84822, 9.3198, 10.83607, 12.97511, 9.47541, 12.72452, 8.0133, 10.14528, 13.48055, 9.13792, 6.44775, 8.34339, 9.0871, 8.66037, 10.5309, 6.13906, 11.3236, 12.3114, 11.60916, 7.53258, 7.26991, 11.77238, 10.71122, 10.41334, 13.04474, 11.50964, 12.78505, 9.20909, 10.39845, 11.95238, 7.35376, 9.29026, 8.51203, 13.37221, 7.57824, 8.17595, 6.88458, 7.11238, 6.9356, 9.07811, 10.05947, 10.81859, 6.58162, 11.6976, 11.14283, 12.35099, 8.63511, 8.93535, 5.99894, 12.10734, 12.34117, 10.39238, 8.88498, 7.21958, 12.57503, 7.80038, 6.47743, 10.4175, 10.7274, 9.00431, 13.12165, 11.67587, 12.00069, 8.04097, 7.97959, 6.88598, 7.72009, 10.15908, 8.49486, 6.09075, 12.96202, 11.15837, 10.38883, 10.89476, 9.73028, 6.53608, 9.29256, 6.4532, 10.35928, 12.71778, 10.42928, 11.61661, 9.90083, 6.81465, 11.54014, 11.68366, 8.30649, 12.37471, 12.52257, 10.87897, 7.993, 9.44362, 6.78003, 7.93031, 10.52699, 7.24731, 6.9762, 13.18393, 10.44522, 9.19992, 12.7031, 9.02432, 11.61825, 11.27163, 7.18034, 11.57561, 12.13538, 9.73266, 7.22769, 10.01431, 6.47295, 9.14267, 12.55601, 8.55085, 7.94171, 12.94051, 8.30189, 10.38333, 11.42521, 6.80381, 9.15313, 12.03344, 7.17391, 10.36837, 11.72516, 7.42583, 7.92018, 13.18579, 8.99159, 9.18604]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0001508073434995913, 8.560853917061477e-05, 4.367183935380516e-05, -3.258691914623649e-05, 2.6463998693745013e-06, 7.403053974210132e-05]]},
 "unique_id": "2ffed71246b0cf3e11e00873a7f8da77",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}