{"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": 20.635553097851936,
 "energy": -637.94995742,
 "forces": {"__ndarray__": [[96, 3], "float64", [0.04951, 0.232089, -0.005681, -0.150724, 0.000134, -0.121031, -0.062402, 0.006327, 0.184169, 0.079696, -0.034383, 0.167916, -0.067439, -0.156844, -0.101949, 0.016043, -0.015549, -0.106206, 0.082307, 0.058697, 0.096245, -0.01068, 0.021573, -0.084718, -0.091671, -0.132707, 0.106138, 0.010374, 0.064914, -0.079751, -0.037865, 0.040899, 0.061272, -0.06057, -0.008234, -0.049739, 0.015486, 0.072763, -0.015102, -0.12607, -0.00413, 0.020618, -0.017917, 0.027172, -0.072108, -0.068664, 0.093825, -0.05476, -0.024811, 0.110193, 0.133766, 0.007958, -0.032316, 0.055128, 0.068664, -0.093825, 0.05476, 0.024811, -0.110193, -0.133766, -0.015486, -0.072763, 0.015102, -0.007958, 0.032316, -0.055128, 0.017917, -0.027172, 0.072108, 0.12607, 0.00413, -0.020618, -0.010374, -0.064914, 0.079751, 0.06057, 0.008234, 0.049739, 0.037865, -0.040899, -0.061272, 0.01068, -0.021573, 0.084718, 0.091671, 0.132707, -0.106138, -0.082307, -0.058697, -0.096245, 0.067439, 0.156844, 0.101949, -0.016043, 0.015549, 0.106206, -0.079696, 0.034383, -0.167916, -0.04951, -0.232089, 0.005681, 0.062402, -0.006327, -0.184169, 0.150724, -0.000134, 0.121031, -0.106551, -0.156668, -0.209784, 0.045772, 0.164421, -0.098076, -0.050065, -0.044563, -0.104553, 0.133566, -0.140257, 0.262028, -0.030344, 0.107447, 0.045855, -0.04751, 0.071039, 0.10063, -0.20872, -0.013833, -0.109512, 0.089779, 0.026194, 0.242437, -0.099073, -0.150212, -0.007581, 0.062642, 0.224024, -0.128819, 0.005444, -0.010477, 0.208849, -0.021043, 0.030565, -0.190337, -0.170919, 0.086995, 0.078452, -0.071216, 0.188801, 0.113383, -0.165003, 0.174793, 0.017812, -0.000485, 0.019379, -0.067176, 0.08676, 0.017739, 0.126275, 0.087564, -0.0906, 0.216828, 0.192093, 0.12524, -0.141283, 0.011165, -0.052119, 0.056014, -0.095754, -0.178731, -0.132287, 0.036686, -0.053572, 0.214992, -0.047331, -0.080804, -0.207257, 0.117165, 0.126064, -0.103265, -0.097778, 0.005212, -0.021915, 0.045024, -0.055423, -0.006124, -0.077101, 0.018713, 0.032648, 0.058593, 0.004034, -0.12203, 0.085848, -0.003048, -0.005086, -0.047622, 0.008027, -0.015278, -0.058593, -0.004034, 0.12203, -0.085848, 0.003048, 0.005086, 0.097778, -0.005212, 0.021915, 0.047622, -0.008027, 0.015278, 0.077101, -0.018713, -0.032648, -0.045024, 0.055423, 0.006124, -0.036686, 0.053572, -0.214992, -0.117165, -0.126064, 0.103265, 0.047331, 0.080804, 0.207257, -0.087564, 0.0906, -0.216828, 0.095754, 0.178731, 0.132287, 0.000485, -0.019379, 0.067176, -0.011165, 0.052119, -0.056014, -0.08676, -0.017739, -0.126275, -0.192093, -0.12524, 0.141283, 0.071216, -0.188801, -0.113383, 0.165003, -0.174793, -0.017812, 0.170919, -0.086995, -0.078452, 0.099073, 0.150212, 0.007581, 0.021043, -0.030565, 0.190337, -0.005444, 0.010477, -0.208849, -0.089779, -0.026194, -0.242437, -0.062642, -0.224024, 0.128819, 0.20872, 0.013833, 0.109512, 0.050065, 0.044563, 0.104553, 0.04751, -0.071039, -0.10063, 0.030344, -0.107447, -0.045855, -0.133566, 0.140257, -0.262028, 0.106551, 0.156668, 0.209784, -0.045772, -0.164421, 0.098076]]},
 "free_energy": -638.21928822,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.336419565734502,
 "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", [6.14112, 11.65999, 12.45195, 7.53244, 14.15126, 10.83906, 5.65505, 11.99379, 9.25867, 8.18905, 13.36491, 7.82267, 8.98734, 12.68112, 13.31569, 5.70422, 9.05853, 10.5142, 10.68478, 13.75946, 12.48288, 7.79507, 11.7506, 6.42141, 6.52758, 8.09504, 12.28694, 8.32677, 10.31194, 14.71999, 5.67274, 8.93348, 7.69406, 10.28949, 14.89621, 8.92149, 11.24257, 10.95358, 14.87229, 12.63229, 14.21394, 8.88209, 11.09631, 13.4929, 6.41486, 9.77269, 8.34747, 14.81064, 7.28898, 7.66273, 6.38294, 6.52803, 6.36902, 8.97175, 10.22731, 11.65253, 5.18936, 12.71102, 12.33727, 13.61706, 8.75743, 9.04642, 5.12771, 13.47197, 13.63098, 11.02825, 8.90369, 6.5071, 13.58514, 7.36771, 5.78606, 11.11791, 11.67323, 9.68806, 5.28001, 9.71051, 5.10379, 11.07851, 14.32726, 11.06652, 12.30594, 12.20493, 8.2494, 13.57859, 13.47242, 11.90496, 7.71306, 9.31522, 6.24054, 7.51712, 11.01266, 7.31888, 6.68431, 14.29578, 10.94147, 9.4858, 11.81095, 6.63509, 12.17733, 13.85888, 8.34001, 7.54805, 14.34495, 8.00621, 10.74133, 12.46756, 5.84874, 9.16094, 8.15068, 12.13096, 11.60184, 6.85704, 10.68132, 10.57924, 7.037, 11.19628, 11.97616, 7.84436, 12.35645, 9.52447, 8.19926, 13.28275, 10.64391, 6.63649, 11.46774, 9.32829, 9.70759, 13.60977, 10.59439, 8.61238, 12.41728, 8.27135, 9.36168, 12.09282, 12.42544, 7.55962, 9.935, 12.69289, 6.99296, 10.65338, 8.0773, 6.82078, 9.23249, 10.52573, 10.38961, 12.97146, 11.74554, 8.13646, 11.28364, 7.38189, 7.33609, 8.73722, 11.85375, 8.65241, 9.97163, 13.7116, 6.7235, 9.18913, 7.94834, 9.79983, 10.82612, 13.09139, 10.06694, 12.74501, 8.3173, 10.44557, 13.8728, 9.3236, 7.22516, 8.5264, 9.26841, 9.26876, 10.47817, 6.8315, 11.71252, 12.29441, 11.62002, 8.38591, 7.68579, 11.69731, 11.13965, 10.83798, 13.78269, 11.9629, 13.44721, 9.31462, 10.8501, 12.62317, 7.03954, 9.5643, 8.68806, 13.77961, 7.76237, 8.38168, 7.08015, 7.33151, 7.03016, 9.33119, 10.4357, 11.31194, 6.22039, 12.23763, 11.61832, 12.91985, 8.86035, 9.16202, 6.21731, 12.66849, 12.96984, 10.66881, 9.1499, 7.37683, 12.96046, 8.0371, 6.55279, 10.68538, 10.73124, 9.52183, 13.1685, 11.61409, 12.31421, 8.30269, 8.28748, 7.70559, 8.37998, 10.20017, 9.17388, 6.90861, 12.77484, 11.4736, 10.73159, 11.34759, 10.02837, 6.2884, 9.55443, 6.1272, 10.6764, 13.2765, 10.81087, 12.05166, 9.93306, 7.25499, 11.6827, 11.86354, 8.71636, 12.61811, 12.66391, 11.26278, 8.14625, 9.61039, 7.02854, 8.25446, 10.63832, 7.90718, 7.57456, 13.17922, 10.76751, 9.47427, 13.00704, 9.34662, 11.9227, 11.38762, 7.58272, 11.72865, 12.44038, 10.065, 7.30711, 10.29241, 6.39023, 9.40561, 12.963, 8.80372, 8.02384, 13.36351, 8.53226, 10.67171, 11.80074, 6.71725, 9.35609, 12.15564, 7.64355, 10.47553, 11.84932, 7.86904, 8.39816, 13.14296, 9.31868, 9.42076]]},
 "stress": {"__ndarray__": [[6], "float64", [-5.879501596582029e-06, 0.00021742921190926918, 0.00136216567616014, -0.00013027901998456125, 0.000367568713932391, 0.0005040455524789544]]},
 "unique_id": "978377ed3208228b5a2f679adabd49e9",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}