{"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": 20.635548356292126,
 "energy": -664.82802706,
 "forces": {"__ndarray__": [[96, 3], "float64", [-0.002357, -0.000138, 0.007036, -0.011189, -0.000943, 0.010809, 0.000763, 0.009003, -0.000558, -0.002514, 0.015684, -0.000728, 0.005102, -0.006332, 0.001618, -0.002052, 0.00064, 0.003244, -0.00099, 0.004604, -0.000482, -0.000459, -0.001023, 0.000994, -0.001696, 0.007808, -0.004931, -1e-06, -0.000442, 6.7e-05, 0.00099, 0.004604, 0.000482, -0.008766, -0.002996, 0.006353, -0.002339, -0.000723, 0.00911, -0.000763, 0.009003, 0.000558, 0.002339, -0.000723, -0.00911, 0.011189, -0.000943, -0.010809, -0.006257, -0.006075, 0.003586, 0.004364, 0.005679, 0.002071, 0.005409, -0.003011, 0.001837, 0.000459, -0.001023, -0.000994, -0.000163, 0.000497, 0.002125, 0.002357, -0.000138, -0.007036, -0.000213, -0.000711, 0.0002, 0.008647, -0.012896, -0.003836, 0.000163, 0.000497, -0.002125, 0.006257, -0.006075, -0.003586, 0.001696, 0.007808, 0.004931, -0.005102, -0.006332, -0.001618, -0.004364, 0.005679, -0.002071, 0.000213, -0.000711, -0.0002, 1e-06, -0.000442, -6.7e-05, 0.002514, 0.015684, 0.000728, 0.008766, -0.002996, -0.006353, -0.008647, -0.012896, 0.003836, -0.005409, -0.003011, -0.001837, 0.002052, 0.00064, -0.003244, 0.001402, -0.003134, 0.001427, 0.007892, -0.003223, -0.001659, 0.004294, -0.002394, -0.003065, -0.008058, -0.000782, 0.00984, -0.003565, 0.012895, -0.002061, -0.004826, 0.001595, -0.006253, -0.010158, 0.00051, -0.001527, -0.013318, 0.007585, -0.0064, 0.007822, -0.008258, -0.004376, -0.004381, -0.000499, 0.015822, -0.009558, 0.000153, 0.010339, -0.003591, -0.003242, 0.001068, -0.002029, 0.003988, 0.000266, -0.002868, 0.000481, -0.002171, 0.004105, -0.001332, 0.006637, -0.004487, 0.007994, -0.001292, -0.006531, 0.005171, -0.0031, -0.001593, 0.003388, -0.001121, 0.002029, 0.003988, -0.000266, 0.010158, 0.00051, 0.001527, -0.009071, -0.009986, -0.005061, 0.006515, 0.01031, -0.000758, 0.013318, 0.007585, 0.0064, -0.004039, -0.002889, -0.006917, -0.006515, 0.01031, 0.000758, 0.003565, 0.012895, 0.002061, -0.007822, -0.008258, 0.004376, 0.006344, 0.003871, 0.014122, 0.005621, -0.010972, -5.6e-05, 0.002866, -0.008495, -0.000868, 0.001593, 0.003388, 0.001121, 0.002868, 0.000481, 0.002171, -0.005908, 0.000625, -0.003749, 0.008058, -0.000782, -0.00984, -0.004085, -0.005281, 0.001419, -0.007974, -0.00912, 0.001175, 0.005908, 0.000625, 0.003749, -0.001402, -0.003134, -0.001427, 0.007288, -0.007604, 0.002019, -0.006344, 0.003871, -0.014122, 0.004826, 0.001595, 0.006253, 0.004487, 0.007994, 0.001292, -0.003539, 0.002657, 0.013432, 0.009558, 0.000153, -0.010339, 0.009466, 0.007363, -0.005148, -0.005621, -0.010972, 5.6e-05, -0.004294, -0.002394, 0.003065, -0.009466, 0.007363, 0.005148, 0.004085, -0.005281, -0.001419, -0.007892, -0.003223, 0.001659, 0.006531, 0.005171, 0.0031, -0.007288, -0.007604, -0.002019, 0.004381, -0.000499, -0.015822, 0.003539, 0.002657, -0.013432, -0.004105, -0.001332, -0.006637, 0.009071, -0.009986, 0.005061, 0.007974, -0.00912, -0.001175, -0.002866, -0.008495, 0.000868, 0.004039, -0.002889, 0.006917, 0.003591, -0.003242, -0.001068]]},
 "free_energy": -664.82802706,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.627357178353275,
 "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", [6.55804, 13.39448, 9.22482, 7.70226, 14.18022, 10.94104, 7.7593, 13.71938, 7.41529, 6.56391, 9.9862, 13.43831, 5.77825, 11.11805, 7.65655, 5.31154, 9.1646, 10.97519, 10.11668, 14.15671, 12.51643, 7.16706, 11.97625, 6.27181, 8.40643, 10.26328, 14.6203, 5.79395, 9.02172, 7.32125, 9.88332, 14.15671, 7.48357, 5.45123, 7.95676, 9.17708, 8.85258, 11.11492, 5.3096, 12.2407, 13.71938, 12.58471, 11.14742, 11.11492, 14.6904, 12.29774, 14.18022, 9.05896, 9.42938, 8.32451, 14.73093, 7.313, 7.76724, 6.4854, 6.92033, 6.34019, 8.94887, 12.83294, 11.97625, 13.72819, 8.51266, 9.00261, 5.24491, 13.44196, 13.39448, 10.77518, 8.96616, 6.68036, 13.39378, 7.68297, 5.83461, 10.95757, 11.48734, 9.00261, 14.75509, 10.57062, 8.32451, 5.26907, 11.59357, 10.26328, 5.3797, 14.22175, 11.11805, 12.34345, 12.687, 7.76724, 13.5146, 11.03384, 6.68036, 6.60622, 14.20605, 9.02172, 12.67875, 13.43609, 9.9862, 6.56169, 14.54877, 7.95676, 10.82292, 12.31703, 5.83461, 9.04243, 13.07967, 6.34019, 11.05113, 14.68846, 9.1646, 9.02481, 8.06661, 12.23856, 11.79079, 6.72353, 10.68365, 10.50908, 7.26548, 11.15304, 11.77352, 7.45124, 12.75185, 9.31623, 8.16414, 13.22229, 10.64059, 6.95325, 11.33922, 9.36326, 9.66453, 13.39431, 10.57049, 8.20984, 12.86882, 7.94335, 9.33285, 12.18136, 12.50207, 7.41632, 9.98924, 12.73466, 6.77283, 10.77047, 7.99948, 6.35812, 9.22809, 10.61457, 10.27832, 13.21494, 11.95385, 7.78184, 11.57689, 7.08948, 7.26908, 8.83396, 11.77096, 8.73567, 10.01867, 13.59503, 6.69233, 9.21396, 7.92284, 9.69957, 11.09294, 13.19231, 9.72168, 13.21494, 8.04615, 10.33547, 13.39431, 9.42951, 6.44246, 8.41406, 9.29279, 8.913, 10.78453, 6.36553, 11.79016, 12.86882, 12.05665, 8.06084, 7.77325, 11.79568, 11.087, 10.78453, 13.63447, 11.83586, 13.22229, 9.35941, 10.66715, 12.18136, 7.49793, 9.60895, 8.71707, 13.7215, 7.85243, 8.44484, 7.17638, 7.47602, 7.2284, 9.29738, 10.30043, 11.09294, 6.80769, 12.21816, 11.57689, 12.91052, 8.86219, 9.20884, 6.26539, 12.54876, 12.75185, 10.68377, 9.21721, 7.55789, 12.76396, 8.14956, 6.78873, 10.65234, 11.13781, 9.20884, 13.73461, 11.93339, 12.23856, 8.20921, 8.45611, 7.56683, 8.21553, 10.39105, 8.71707, 6.2785, 13.04675, 11.33922, 10.63674, 11.26433, 10.01867, 6.40497, 9.65389, 6.60724, 10.57872, 13.22717, 10.77047, 12.00052, 10.27552, 7.13376, 11.78237, 12.14757, 8.44484, 12.82362, 12.73452, 11.15304, 8.22648, 9.72448, 7.13376, 8.21763, 10.78279, 7.55789, 7.23604, 13.27647, 10.68365, 9.49092, 13.30767, 9.21396, 12.07716, 11.54389, 7.56683, 11.78447, 12.58368, 9.98924, 7.26534, 10.34611, 6.60724, 9.42128, 12.73092, 8.83396, 8.22904, 13.55754, 8.41406, 10.70721, 11.85044, 6.78873, 9.34766, 12.52398, 7.2284, 10.70262, 11.93916, 7.77325, 8.20432, 13.64188, 9.22809, 9.38543]]},
 "stress": {"__ndarray__": [[6], "float64", [9.048939930705547e-05, 8.304952042900264e-05, 7.640231320993697e-05, -0.0, 1.0579357968372123e-05, -0.0]]},
 "unique_id": "b283e91d807c279e8c1b50245c593a33",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}