{"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": 20.63554824784251,
 "energy": -666.19618787,
 "forces": {"__ndarray__": [[96, 3], "float64", [0.010061, 0.000414, 0.000175, -0.001486, -0.004561, 0.002909, -0.007368, -0.007476, 0.006766, 0.006544, 0.004179, 0.015869, -0.005717, 0.003174, -0.005456, -0.002209, -0.010869, -0.003356, 0.000554, 0.005614, 0.008049, 0.007796, 0.006164, -0.004313, -0.003992, 0.004435, 0.010368, -0.002952, -0.000438, 0.011443, -0.006027, 0.013264, -0.013836, 0.005374, 0.005423, -0.002157, -0.008638, 0.004682, -0.013026, -0.010164, -0.002916, 0.000586, -0.009054, 0.007759, 0.014975, -0.011397, 0.000656, -0.006927, 0.009715, -0.001865, 0.004565, -0.005397, 0.001648, -0.017792, -0.004239, 0.00175, 0.01035, -0.001821, 0.004397, -0.007059, 0.001427, 0.009394, 0.014802, 0.004698, -0.016068, -0.001789, 0.002017, 0.002344, -0.006201, -0.000948, 0.00864, -0.011862, -0.005307, -0.000108, 0.005777, -0.000127, 0.002006, -0.01031, 0.011159, -0.012828, -0.008386, -0.006647, -0.003618, 0.000351, 0.000215, 0.010536, 0.00684, 0.004813, 0.011754, 0.005597, 0.009743, -0.008224, 0.001599, 0.003597, -0.003934, -0.001352, 0.01346, -0.009573, 0.000904, 0.009824, 0.006479, -0.003555, -0.008437, -0.009024, -0.002622, 0.006292, -0.012574, 0.00809, -0.013401, 0.002788, -0.010731, 0.00015, 0.009461, -0.017314, -0.000906, 0.007308, -0.010404, 0.002131, -0.001223, -0.005848, 0.007074, -0.001958, 0.00765, 0.006983, 0.008521, 0.011212, -0.006397, -0.00979, -0.019542, 0.000872, 0.007846, 0.01439, 0.000183, 0.011815, 0.005317, -0.016786, -0.017805, 0.011365, -0.002268, -0.004751, -0.003547, -0.003546, -0.007282, 0.009774, 0.012948, 0.004553, 0.005252, -0.014431, 0.005502, -0.006776, -0.00244, -0.021473, 0.010066, -0.006517, -0.006223, 0.00051, -0.024338, 0.00119, -0.001728, -0.001476, -0.001412, 0.012114, -0.002741, 0.007208, 0.010719, -0.009372, 0.009126, 0.024641, -0.021085, 0.008248, 0.014335, 0.003546, 0.007053, -0.012986, 0.006319, 0.022967, 0.001222, 0.004815, -0.006286, 0.005697, 0.002632, -0.013431, 0.001726, 0.003318, 0.004613, -0.007212, 0.017465, 0.005408, -0.012266, 0.00398, 0.00493, -0.001771, 0.01067, -0.013272, -0.002427, -0.006975, -0.001269, -0.002042, 0.006738, 0.008013, -0.005463, 0.012449, -0.016693, 0.000407, 0.013116, -0.010177, -0.002119, 0.001685, 0.016677, -0.011549, -0.008465, -0.005892, 0.001106, -0.01619, -0.005739, -0.019355, 0.000346, 0.009679, 0.000781, 0.022157, -0.008437, -0.010875, 0.00974, -0.007492, 0.001322, -0.008834, 0.006858, -0.004768, 0.003875, 0.008467, 0.004966, 0.001021, -0.004141, 0.009517, -0.010395, -0.018632, -0.00172, 0.00372, -0.020736, -0.003373, 0.008843, 0.007948, 0.014319, 0.005833, -0.013002, -0.000903, 0.011856, 0.001645, 0.000738, -0.005745, 0.011589, -0.004137, 0.004548, -0.004388, 0.004443, 0.013984, 0.008882, 0.019381, -0.013738, 0.015795, 0.007271, -0.014352, -0.00039, 0.006023, -0.014547, 0.002717, -0.014806, -0.007138, -0.011674, -0.001342, -0.004882, 0.007663, -0.006028, 0.000631, 0.005574, -0.010766, 0.003865, -0.016997, -0.000319, 0.012687, -0.00548, 0.001538, -0.008151, 0.002637, -0.014278, 0.019575, 0.002729, -0.001423]]},
 "free_energy": -666.19618787,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.043796777569277,
 "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", [6.78144, 13.43356, 9.04023, 7.7323, 14.12172, 10.96083, 8.75197, 13.29275, 13.57936, 6.50549, 10.27064, 13.47224, 5.74037, 11.07066, 7.58787, 5.2183, 9.32932, 10.79805, 10.29793, 14.38144, 12.40902, 7.25486, 12.20587, 6.42122, 5.98629, 8.31392, 12.56597, 8.33785, 9.80782, 14.72188, 6.06601, 8.85505, 7.24794, 9.65666, 11.5982, 14.74762, 5.46079, 7.93651, 9.17428, 8.58556, 10.82146, 5.25357, 12.30485, 13.38758, 12.75199, 7.51087, 6.80327, 12.74893, 12.11688, 14.34335, 9.20178, 10.8226, 13.40926, 6.52661, 6.92831, 6.35114, 8.88813, 10.69527, 11.52294, 5.27801, 13.36541, 13.67892, 10.82606, 7.47931, 5.70467, 10.86723, 11.21293, 9.12272, 14.56391, 12.84473, 13.29734, 7.43258, 10.45953, 8.57663, 5.43652, 14.41858, 11.79335, 11.11125, 9.62713, 5.20512, 11.11447, 12.7551, 7.98778, 13.37953, 13.81021, 11.38062, 7.25191, 11.05931, 6.75773, 6.61983, 14.86315, 11.06789, 9.13323, 10.40119, 5.11018, 8.98726, 14.5257, 8.10697, 11.01153, 12.51916, 5.78366, 8.96596, 13.23149, 6.29939, 11.03362, 14.67283, 8.87239, 8.88484, 8.12313, 12.21401, 11.83432, 6.82589, 10.62414, 10.50997, 7.4259, 11.07316, 11.7541, 7.54485, 12.68743, 9.33661, 8.20399, 13.16433, 10.66428, 6.89841, 11.32875, 9.37621, 9.69608, 13.35624, 10.62414, 8.47429, 12.47122, 8.16664, 9.15863, 12.55188, 12.86897, 7.34282, 10.00761, 12.80272, 6.72051, 10.77046, 7.99744, 6.30666, 9.22792, 10.63938, 10.28143, 13.35517, 12.00263, 7.83346, 11.59058, 7.13235, 6.85877, 8.69319, 12.0174, 8.63415, 9.97665, 13.67212, 6.78752, 9.21401, 8.00224, 9.58867, 11.29825, 13.68717, 9.77464, 12.78298, 8.24559, 10.38819, 13.21288, 9.48953, 6.44804, 8.38907, 9.33709, 8.89157, 10.79366, 6.31407, 11.74065, 12.81157, 11.99828, 7.86769, 7.51034, 11.97896, 10.91098, 10.75593, 13.22419, 11.87635, 13.27704, 9.36006, 10.81382, 12.53266, 7.19712, 9.57014, 8.89797, 13.21955, 8.14313, 8.73232, 7.58747, 7.47699, 7.19367, 9.34575, 10.44356, 11.29423, 6.32829, 11.77967, 11.37349, 12.41327, 8.99913, 9.36829, 6.77682, 12.62942, 12.88057, 10.66253, 9.2515, 7.89434, 12.39616, 8.04129, 6.62964, 10.6819, 11.00255, 9.27199, 13.48654, 12.21394, 12.58594, 7.98182, 8.53741, 7.56718, 8.36009, 10.38216, 8.82275, 6.5139, 13.44777, 11.53126, 10.65396, 11.17988, 10.07059, 6.78049, 9.59263, 6.21574, 10.67214, 12.76526, 10.6379, 11.64064, 10.24555, 7.15058, 11.64312, 12.07052, 8.48939, 12.6676, 13.0264, 11.25945, 8.02088, 9.76206, 7.03636, 8.29136, 10.79493, 7.564, 7.33245, 13.80933, 10.82066, 9.31849, 12.89186, 9.30875, 11.70936, 11.54956, 7.45144, 11.70295, 12.23383, 10.06289, 7.60272, 10.38589, 6.15868, 9.33277, 12.63206, 8.88601, 8.35558, 13.53307, 8.44486, 10.66709, 11.93983, 6.64974, 9.33145, 12.58643, 7.11786, 10.6687, 11.94263, 7.73923, 8.2968, 13.72231, 9.21775, 9.32746]]},
 "stress": {"__ndarray__": [[6], "float64", [1.930498772635692e-05, 6.0548880030193497e-05, 6.551712129439655e-05, -3.3329658732216603e-06, 8.90663352263541e-06, -8.644490139348312e-06]]},
 "unique_id": "c47a7bce322b3da254ddc127acfab4c4",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}