{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [18.037623728, -0.041411679, -0.101197425, -0.041255669, 17.829819895, -0.057616392, -0.101216511, -0.057620304, 17.958184079]]},
 "ctime": 20.602623128316566,
 "energy": -614.9489448,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.064601, 0.015418, -0.213277, -0.169049, 0.047096, 0.131017, 0.01617, 0.004992, 0.046087, -0.256832, -0.066315, 0.006774, 0.065123, -0.038277, -0.03474, 0.005489, -0.077506, -0.066006, -0.175702, -0.089376, -0.114253, -0.116099, 0.044769, 0.110774, -0.073122, -0.036423, 0.01092, 0.061354, -0.065077, -0.169591, 0.05246, -0.079649, 0.039016, 0.006196, -0.113289, 0.05148, -0.133971, -0.12311, -0.041132, -0.10713, 0.034933, -0.163085, 0.067167, -0.17809, 0.009212, 0.238613, -0.032252, -0.029034, 0.136954, 0.116233, 0.160196, -0.027913, -0.159994, -0.056129, -0.04767, 0.138437, -0.12301, -0.021097, 0.134391, 0.229453, -0.247657, -0.008881, 0.005819, -0.055985, 0.094176, -0.04288, -0.103782, 0.077979, 0.133442, -0.207998, -0.042477, 0.064418, 0.346075, 0.308238, 0.233859, -0.160246, -0.27794, 0.087338, 0.262256, 0.12706, -0.108339, 0.30572, 0.164027, -0.31694, -0.105571, -0.31014, -0.182497, 0.079611, 0.048352, 0.188439, 0.144775, -0.141906, 0.359183, 0.249005, -0.100361, 0.015876, -0.036485, -0.1414, -0.144565, 0.091159, 0.276923, -0.061105, 0.016726, 0.022985, 0.144667, 0.241557, 0.02095, -0.207646, -0.275567, 0.040033, 0.398278, -0.010161, 0.429882, -0.014978, -0.41003, -0.168967, -0.436435, 0.319244, 0.386951, 0.044132, 0.010981, 0.18906, -0.027085, -0.084319, 0.19836, 0.331659, -0.219194, 0.033158, -0.061066, -0.511857, -0.060144, -0.267992, -0.031367, -0.143434, 0.371772, -0.055898, 0.355623, 0.022227, 0.002289, 0.199062, -0.060823, -0.100823, -0.146726, 0.089754, 0.054842, -0.212439, 0.12355, 0.022044, -0.021553, -0.177256, -0.229424, 0.253999, 0.03784, -0.112935, 0.112132, -0.06118, 0.031279, 0.072277, 0.064798, -0.448938, 0.072788, 0.124523, 0.263638, -0.110471, -0.035809, 0.067234, -0.041889, 0.07418, 0.155646, -0.205816, -0.081561, 0.133463, 0.038997, 0.210271, 0.100692, -0.000761, -0.235392, 0.414359, -0.261863, -0.05936, 0.145074, -0.068319, 0.074969, 0.231326, 0.030915, -0.017258, 0.191977, -0.181395, 0.039793, -0.168476, -0.040768, -0.200704, 0.181418, -0.1234, -0.149239, 0.074454, -0.157942, 0.051162, -0.117132, 0.052901, 0.004935, 0.06153, 0.087688, 0.061438, -0.000874, -0.121865, 0.077097, 0.069398, 0.035755, -0.180067, -0.013843, -0.290031, -0.09006, 0.071017, -0.145861, 0.019732, 0.239827, -0.062735, -0.008626, -0.00848, -0.109431, 0.267649, 0.060832, -0.026953, -0.048731, -0.137603, 0.010766, 0.070046, 0.021888, -0.052897, -0.013657, 0.06377, 0.020612, -0.056181, -0.089861, 0.167621, 0.255583, -0.203639, -0.014681, -0.240458, 0.14356, 0.201472, -0.073408, 0.058295, 0.128081, -0.064361, 0.068188, 0.131388, 0.238714, -0.303348, -0.073677, -0.346159]]},
 "free_energy": -615.09567698,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.586660915134328,
 "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", [6.61486, 11.98635, 11.64508, 4.28342, 9.44493, 9.6265, 4.98684, 10.55734, 11.38789, 6.07203, 12.44674, 7.69055, 6.46629, 13.11043, 9.71624, 4.49756, 10.90766, 8.07547, 8.62097, 13.76012, 9.78721, 5.53273, 8.74036, 12.52445, 4.90644, 9.84022, 6.17424, 9.28411, 12.73366, 11.59787, 6.59399, 10.97182, 5.39155, 5.08367, 7.19008, 11.07535, 7.38583, 8.93083, 13.60863, 4.84273, 7.69912, 6.37606, 8.56456, 10.71037, 13.14154, 8.429, 12.6709, 6.28182, 9.5638, 13.66389, 7.85177, 4.73026, 6.93116, 8.41086, 11.64386, 12.89762, 7.907, 8.68667, 7.13266, 13.55443, 6.43091, 6.58695, 5.27628, 7.84115, 7.84649, 4.22925, 12.35891, 12.25412, 9.82906, 7.96284, 5.49321, 12.35343, 6.912, 11.28599, 10.80918, 5.38564, 9.59308, 9.4982, 5.86994, 10.13695, 10.88813, 6.54216, 11.57373, 8.21844, 7.07436, 12.21, 9.53932, 5.4774, 10.42108, 8.19031, 8.62935, 12.69241, 9.51644, 7.5654, 11.12122, 7.28887, 8.27827, 10.91259, 11.13485, 6.30393, 8.8251, 11.75448, 5.75203, 9.58409, 6.82386, 5.91945, 8.24681, 9.43449, 9.26384, 11.97575, 10.75578, 6.99108, 10.27689, 6.18946, 6.07686, 7.6366, 10.79546, 7.65614, 8.80274, 12.55202, 5.78162, 8.00609, 6.84326, 8.59772, 10.01462, 12.25358, 8.79388, 11.89447, 7.01087, 9.49301, 12.62718, 8.19831, 5.74615, 7.37571, 8.255, 8.08874, 9.43676, 5.62526, 10.59941, 11.32166, 10.62437, 7.1137, 6.56997, 10.69756, 9.96934, 9.46029, 12.09321, 10.98541, 12.06846, 8.19585, 9.82828, 11.00452, 6.39297, 8.63377, 7.52795, 12.53391, 6.91589, 7.18879, 6.05542, 6.79309, 6.3045, 8.26638, 9.40348, 9.85297, 5.68932, 10.91276, 10.17188, 11.31778, 8.02877, 7.98169, 5.31268, 11.58605, 11.52397, 9.51404, 8.23642, 6.30918, 11.66161, 7.36498, 5.92782, 9.50362, 9.986, 8.08763, 12.15615, 11.00684, 11.02826, 7.09364, 7.48683, 6.24991, 7.08837, 9.47995, 7.55031, 5.56755, 12.28129, 10.16709, 9.463, 10.29123, 8.70564, 5.62691, 8.71377, 5.37473, 9.51311, 11.97134, 9.44935, 10.64075, 9.31848, 5.74536, 10.7351, 10.9997, 7.34793, 11.47952, 11.88202, 9.90398, 7.07435, 8.82177, 5.75795, 7.08314, 9.83018, 6.42587, 6.30388, 12.53136, 9.46435, 8.28504, 11.99495, 8.04497, 10.71269, 10.65103, 6.15318, 10.74279, 11.50778, 8.72728, 6.33936, 9.43184, 5.31606, 8.30609, 11.91816, 7.54139, 7.07111, 12.29233, 7.29836, 9.50944, 10.82671, 5.69838, 8.3075, 11.4246, 6.12758, 9.50682, 11.07875, 6.41047, 7.06245, 12.54218, 7.99952, 8.31349]]},
 "stress": {"__ndarray__": [[6], "float64", [8.379850152410862e-05, 9.764216876531769e-05, -2.3942429006888176e-05, 1.6402685982821203e-05, 4.432095630289702e-05, -0.0001344795556262807]]},
 "unique_id": "30eb4f7be1e7d66fd2bc0dddaa856cc6",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}