{"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": 20.635552602644538,
 "energy": -649.78346437,
 "forces": {"__ndarray__": [[96, 3], "float64", [-0.001071, 0.016659, -0.014384, 0.05903, 0.020336, -0.04627, -0.01664, 0.049282, -0.065473, -0.006457, 0.045596, 0.07383, 0.016966, -0.022548, -0.054369, 0.041023, 0.03588, 0.042656, -0.07125, 0.055145, 0.027241, 0.0736, -0.046536, -0.057519, 0.063768, 0.003943, -0.023262, 0.052345, 0.081916, -0.002915, -0.0403, 0.023504, -0.087508, -0.070622, -0.006913, -0.031408, 0.049589, 0.02684, -0.022225, 0.002705, 0.022099, 0.022357, -0.043573, -0.013228, -0.040771, 0.028132, 0.079568, 0.021836, -0.010301, 0.004214, 0.071377, 0.019626, -0.012714, 0.000641, 0.010301, -0.004214, -0.071377, 0.043573, 0.013228, 0.040771, -0.019626, 0.012714, -0.000641, -0.028132, -0.079568, -0.021836, -0.002705, -0.022099, -0.022357, 0.0403, -0.023504, 0.087508, -0.049589, -0.02684, 0.022225, -0.063768, -0.003943, 0.023262, 0.070622, 0.006913, 0.031408, -0.052345, -0.081916, 0.002915, -0.0736, 0.046536, 0.057519, 0.07125, -0.055145, -0.027241, -0.041023, -0.03588, -0.042656, 0.006457, -0.045596, -0.07383, -0.016966, 0.022548, 0.054369, 0.001071, -0.016659, 0.014384, 0.01664, -0.049282, 0.065473, -0.05903, -0.020336, 0.04627, 0.256526, -0.014356, 0.210926, 0.116886, 0.005369, 0.046214, -0.127638, -0.042921, -0.031279, 0.018596, 0.019531, -0.015656, 0.02341, -0.017374, -0.018615, -0.050848, -0.040579, -0.070703, -0.057456, 0.003791, 0.02041, -0.009145, -0.039761, 0.00813, -0.199751, 0.026294, -0.135705, 0.05974, -0.012641, 0.060381, -0.050832, -0.005784, 0.022767, 0.076665, 0.00872, -0.001393, -0.005976, -0.004166, 0.067805, 0.005101, -0.037532, 0.012981, -0.002887, 0.011953, 0.002449, 0.023519, 0.026418, -0.048124, 0.034294, 0.000993, 0.017058, 0.011203, -0.01126, 0.008036, 0.031577, 0.025246, 0.01613, -0.0215, -0.034404, 0.004619, -0.017133, 0.033876, 0.060773, 0.051435, -0.002471, -0.094157, -0.020238, -0.056007, -0.110801, 0.027925, -0.083279, -0.137075, 0.037255, 0.035514, -0.025726, 0.07365, -0.140781, -0.252518, 0.061506, 0.02892, -0.008666, 0.097159, 0.046893, -0.093921, 0.000576, 0.012314, 0.061639, -0.052328, -0.011902, -0.146171, -0.097159, -0.046893, 0.093921, -0.000576, -0.012314, -0.061639, -0.037255, -0.035514, 0.025726, 0.052328, 0.011902, 0.146171, -0.061506, -0.02892, 0.008666, -0.07365, 0.140781, 0.252518, -0.051435, 0.002471, 0.094157, -0.027925, 0.083279, 0.137075, 0.020238, 0.056007, 0.110801, -0.011203, 0.01126, -0.008036, 0.017133, -0.033876, -0.060773, -0.023519, -0.026418, 0.048124, 0.0215, 0.034404, -0.004619, -0.034294, -0.000993, -0.017058, -0.031577, -0.025246, -0.01613, -0.005101, 0.037532, -0.012981, 0.002887, -0.011953, -0.002449, 0.005976, 0.004166, -0.067805, 0.199751, -0.026294, 0.135705, -0.076665, -0.00872, 0.001393, 0.050832, 0.005784, -0.022767, 0.009145, 0.039761, -0.00813, -0.05974, 0.012641, -0.060381, 0.057456, -0.003791, -0.02041, 0.127638, 0.042921, 0.031279, 0.050848, 0.040579, 0.070703, -0.02341, 0.017374, 0.018615, -0.018596, -0.019531, 0.015656, -0.256526, 0.014356, -0.210926, -0.116886, -0.005369, -0.046214]]},
 "free_energy": -649.78346437,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.595146596516212,
 "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", [6.06596, 11.69765, 12.22417, 7.83913, 14.04522, 10.76971, 5.47893, 11.91535, 9.30305, 7.84655, 13.43594, 7.72312, 6.6041, 10.10537, 13.70208, 5.32948, 9.51787, 10.6992, 10.50889, 14.20631, 12.57677, 5.94683, 8.32858, 12.50998, 8.53475, 9.52905, 14.48882, 5.84829, 8.97019, 7.31006, 9.36752, 11.60399, 14.74722, 10.40699, 14.54301, 9.0923, 5.48688, 7.91676, 9.25218, 8.81469, 11.24026, 5.48562, 11.51195, 10.96734, 14.69543, 11.01454, 13.10457, 6.2687, 7.55683, 7.64548, 6.67884, 7.03385, 6.31264, 9.04096, 12.44317, 12.35452, 13.32116, 8.48805, 9.03266, 5.30457, 12.96615, 13.68736, 10.95904, 8.98546, 6.89543, 13.7313, 11.18531, 8.75974, 14.51438, 10.63248, 8.39601, 5.25278, 14.51312, 12.08324, 10.74782, 11.46525, 10.47095, 5.51118, 9.59301, 5.45699, 10.9077, 14.15171, 11.02981, 12.68994, 14.05317, 11.67142, 7.49002, 9.49111, 5.79369, 7.42323, 14.67052, 10.48213, 9.3008, 12.15345, 6.56406, 12.27688, 13.3959, 9.89463, 6.29792, 13.93404, 8.30235, 7.77583, 14.52107, 8.08465, 10.69695, 12.16087, 5.95478, 9.23029, 8.12064, 12.25788, 11.96469, 6.94306, 10.70169, 10.51258, 7.0402, 11.24063, 11.92953, 7.75048, 12.27891, 9.52068, 8.28426, 13.01553, 10.68116, 6.50657, 11.47806, 9.34935, 9.78583, 13.166, 10.64489, 8.35498, 12.53412, 8.16192, 9.23859, 12.31232, 12.71642, 7.29292, 10.01606, 12.84857, 6.95149, 10.64592, 8.10299, 6.4206, 9.29141, 10.59767, 10.29244, 13.24822, 12.04408, 7.92752, 11.28867, 7.44098, 6.84717, 8.73278, 12.01106, 8.72274, 9.9454, 13.46702, 6.72536, 9.17243, 7.9515, 9.5713, 11.25179, 13.71893, 9.82089, 12.68699, 8.20399, 10.43687, 13.44928, 9.35267, 6.47563, 8.39462, 9.3228, 8.94448, 10.76958, 6.48928, 11.38065, 12.36476, 11.61565, 7.90403, 7.6797, 11.87819, 11.09313, 10.77136, 13.69686, 11.84303, 12.93172, 9.29534, 10.86723, 12.45659, 7.16766, 9.67814, 8.8966, 12.9631, 7.98313, 8.47028, 7.30426, 7.53002, 7.2553, 9.373, 10.32186, 11.1034, 7.0369, 12.01687, 11.52972, 12.69574, 8.90687, 9.22864, 6.30314, 12.46998, 12.7447, 10.627, 9.13277, 7.54341, 12.83234, 8.15697, 7.06828, 10.70466, 11.05552, 9.23042, 13.51072, 12.09597, 12.3203, 8.12181, 8.61935, 7.63524, 8.38435, 10.4287, 8.74821, 6.28107, 13.52437, 11.60538, 10.6772, 11.27726, 10.0546, 6.53298, 9.56313, 6.55072, 10.64733, 13.27464, 10.82757, 12.0485, 10.17911, 7.31301, 11.79601, 12.07248, 8.71133, 12.55902, 13.15283, 11.26722, 7.98894, 9.70756, 6.75178, 7.95592, 10.76141, 7.68768, 7.28358, 13.5794, 10.70859, 9.40233, 13.04851, 9.35408, 11.89701, 11.64502, 7.46588, 11.83808, 12.70708, 9.98394, 7.15143, 10.21417, 6.834, 9.35511, 12.9598, 8.75937, 8.07047, 13.49343, 8.52194, 10.65065, 11.71574, 6.98447, 9.31884, 12.24952, 7.72109, 10.47932, 11.87936, 7.74212, 8.03531, 13.05694, 9.29831, 9.48742]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0005635146514303699, 0.00011737782062136058, 0.0005973124233470278, 0.00012368174483850264, 1.9598338655273434e-06, 0.0001422315099606277]]},
 "unique_id": "23d08533111775cb9dc5c1b5945c7760",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}