{"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": 20.63616059419094,
 "energy": -619.96371181,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.002383, 0.001418, 0.000737, -0.004096, -0.002201, -0.003223, 0.001612, 0.003519, -0.003902, 0.001118, -0.005444, -0.005702, 0.002651, -0.000924, -0.002621, -0.001161, -0.001056, 0.003511, -0.002636, -0.000196, -0.001867, -0.001465, 0.001932, -0.004297, 0.000244, -0.005556, 0.003398, -0.000374, 0.001987, 0.004482, -0.004826, 0.001437, -0.001599, 0.004934, 0.001929, 0.00035, -0.004934, -0.001929, -0.00035, 0.004826, -0.001437, 0.001599, 0.000374, -0.001987, -0.004482, -0.000244, 0.005556, -0.003398, 0.001465, -0.001932, 0.004297, 0.002636, 0.000196, 0.001867, 0.001161, 0.001056, -0.003511, -0.002651, 0.000924, 0.002621, -0.001612, -0.003519, 0.003902, -0.001118, 0.005444, 0.005702, -0.002383, -0.001418, -0.000737, 0.004096, 0.002201, 0.003223, 0.003795, 0.003323, 0.004596, 0.000813, -0.004385, 0.000958, -0.007931, 0.002959, -0.005494, 0.0067, 0.007027, 0.009961, -0.005116, -0.004794, -0.014289, -0.006233, 0.002581, 0.004129, 0.011055, 0.005171, 0.004243, 0.015762, -0.00534, 0.017331, -0.001677, 0.008123, -0.012044, 0.022578, 0.004874, 0.014782, 0.00696, -0.016271, 0.005397, 0.002126, 0.008792, 0.002439, -0.000515, -0.002798, -0.003062, 0.001182, -0.003901, -0.007484, -0.009208, -0.004411, -0.00247, -0.013867, 0.001393, -0.008228, -0.007135, 0.006597, -0.002692, -0.004474, -0.007474, -0.0074, 0.001796, -0.009032, 0.000986, -0.000489, 0.002231, -0.005326, 0.009281, -0.002068, 0.010602, -0.001873, 0.002448, 0.013735, 0.000146, 0.005942, -0.00513, -0.000686, 0.002927, 0.007526, 0.005981, -5.5e-05, 0.001583, 0.006042, -0.004171, -0.001667, -0.000311, -0.00016, 0.000593, -0.004542, 0.000353, 0.000534, 0.013832, 0.004532, 0.000865, -0.001632, -0.006212, -0.000418, 0.004542, -0.000353, -0.000534, -0.013832, -0.004532, -0.000865, -0.005981, 5.5e-05, -0.001583, 0.001632, 0.006212, 0.000418, 0.000311, 0.00016, -0.000593, -0.006042, 0.004171, 0.001667, 0.001873, -0.002448, -0.013735, 0.000686, -0.002927, -0.007526, -0.000146, -0.005942, 0.00513, 0.004474, 0.007474, 0.0074, -0.009281, 0.002068, -0.010602, 0.013867, -0.001393, 0.008228, 0.000489, -0.002231, 0.005326, 0.007135, -0.006597, 0.002692, -0.001796, 0.009032, -0.000986, -0.001182, 0.003901, 0.007484, 0.009208, 0.004411, 0.00247, 0.000515, 0.002798, 0.003062, 0.001677, -0.008123, 0.012044, -0.002126, -0.008792, -0.002439, -0.00696, 0.016271, -0.005397, -0.015762, 0.00534, -0.017331, -0.022578, -0.004874, -0.014782, -0.011055, -0.005171, -0.004243, 0.007931, -0.002959, 0.005494, 0.006233, -0.002581, -0.004129, 0.005116, 0.004794, 0.014289, -0.0067, -0.007027, -0.009961, -0.003795, -0.003323, -0.004596, -0.000813, 0.004385, -0.000958]]},
 "free_energy": -619.96371181,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.336418395980775,
 "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", [7.32679, 13.3277, 12.51812, 5.14359, 10.88795, 10.81422, 6.11001, 11.49858, 12.71967, 5.67278, 12.10204, 9.0566, 9.26824, 14.85588, 10.81048, 10.27759, 14.21323, 12.68268, 6.02768, 8.50062, 12.5558, 10.61043, 14.82776, 9.05923, 12.35692, 13.53242, 12.44934, 7.20467, 6.64325, 12.38435, 10.94567, 13.32647, 6.38533, 9.46396, 8.56779, 14.65646, 10.53604, 11.43221, 5.34354, 9.05433, 6.67353, 13.61467, 12.79533, 13.35675, 7.61565, 7.64308, 6.46758, 7.55066, 9.38957, 5.17224, 10.94077, 13.97232, 11.49938, 7.4442, 9.72241, 5.78677, 7.31732, 10.73176, 5.14412, 9.18952, 13.88999, 8.50142, 7.28033, 14.32722, 7.89796, 10.9434, 12.67321, 6.6723, 7.48188, 14.85641, 9.11205, 9.18578, 7.85986, 12.51736, 11.98288, 6.23007, 10.76908, 10.67234, 6.92418, 11.24575, 12.02093, 7.73364, 12.54953, 9.47536, 8.27323, 12.99382, 10.61473, 6.58687, 11.56028, 9.35995, 9.5568, 13.8019, 10.66582, 8.51935, 12.56414, 8.22796, 9.24094, 12.33603, 12.58797, 7.58442, 9.98512, 12.54799, 7.08767, 10.71809, 8.19065, 6.55825, 9.28542, 10.6184, 10.24106, 13.33161, 12.02213, 8.09494, 11.39255, 7.46374, 6.94444, 8.74368, 11.98332, 8.74391, 9.99057, 13.21369, 7.10614, 9.32649, 8.21821, 9.59507, 11.19398, 13.21102, 9.77506, 13.0519, 8.16351, 10.41105, 13.77444, 9.33824, 6.87399, 8.63087, 9.48268, 9.03191, 10.69481, 6.70688, 11.71686, 12.79245, 11.93572, 7.84151, 7.44419, 11.97474, 10.97666, 10.71797, 13.24423, 11.70777, 13.0087, 9.40134, 10.81766, 12.56379, 7.17071, 9.56876, 8.76713, 13.57473, 8.04415, 8.58819, 7.46122, 7.74508, 7.44148, 9.46531, 10.43124, 11.23287, 6.42527, 11.95585, 11.41181, 12.53878, 9.02334, 9.28203, 6.75577, 12.25492, 12.55852, 10.53469, 9.18234, 7.43621, 12.82929, 8.29223, 6.9913, 10.59866, 10.96809, 9.30519, 13.29312, 12.15849, 12.55581, 8.02526, 8.28314, 7.20755, 8.06428, 10.40493, 8.80602, 6.78898, 13.12601, 11.36913, 10.51732, 11.25609, 10.00943, 6.78631, 9.58895, 6.22556, 10.66176, 12.89386, 10.67351, 11.78179, 10.22494, 6.9481, 11.83649, 11.90506, 8.60745, 12.53626, 13.05556, 11.25632, 8.01668, 9.75894, 6.66839, 7.97787, 10.75906, 7.66397, 7.41203, 13.44175, 10.71458, 9.3816, 12.91233, 9.28191, 11.80935, 11.48065, 7.43586, 11.77204, 12.41558, 10.01488, 7.45201, 10.4432, 6.1981, 9.33418, 13.07582, 8.75425, 7.97907, 13.41313, 8.43972, 10.64005, 11.72677, 7.00618, 9.38527, 12.26636, 7.45047, 10.52464, 12.14014, 7.48264, 8.01712, 13.76993, 9.23092, 9.32766]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00013638321590967508, 7.48981095105991e-05, 0.00010493849293347522, 1.3169584255613674e-06, 4.9326646621855386e-05, 5.586150667665515e-06]]},
 "unique_id": "d7143d214ab1a45f10ae1cdb2f5eccad",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}