{"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": 20.63617329077253,
 "energy": -595.78765511,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.000927, 0.000567, -0.002494, 0.000942, -3.3e-05, -7.8e-05, 0.000895, -0.00258, 0.003969, -0.001471, -0.000992, 0.002161, -4.3e-05, -0.003343, 0.003255, 0.001038, -0.000899, 0.00129, -0.001033, 0.000556, -0.001705, 0.001325, 0.001515, 7.1e-05, 0.001499, 0.001655, 0.00532, 0.000465, 0.001809, 0.003616, -0.00217, 0.004236, -0.007154, 0.001441, -0.004559, 0.00539, -0.001016, -0.002476, -0.004541, 0.00078, 0.001802, 0.001572, 2.2e-05, 0.002473, -0.003539, -0.004794, 0.002061, -0.002398, 0.001694, -0.003076, -0.001008, -0.00282, 0.000545, 0.000104, 0.009891, 0.000883, 0.000486, 0.003693, 0.001818, 0.006322, -0.002477, -0.007742, -0.00589, 0.013061, 0.002898, 0.005546, -0.00046, -0.001046, -0.005642, 0.002761, -0.008134, -0.008013, -0.012424, -0.002721, 0.024876, -0.011676, -0.001722, 0.008778, -0.007601, -0.000945, -0.000504, 0.000574, -0.010981, -0.01033, 0.00492, 0.010529, 0.006874, 0.002086, 0.005576, 0.006668, -0.001015, -0.002737, 0.004618, -0.012834, 0.000203, 0.007899, -0.010181, 0.018121, -0.00265, 0.00442, -0.005233, -0.001279, 0.004241, -0.018502, -0.001469, 0.00493, 0.002491, -0.000934, 0.017279, 0.013354, 0.000421, 0.003853, -0.005848, -0.007259, -0.000583, -0.008397, 0.002152, 0.002082, -0.003821, -0.003124, 0.003382, 0.003574, 0.000441, 0.009169, -0.002485, -0.004309, -0.016564, -0.010361, -3.9e-05, -0.002524, 0.000224, 0.013731, -0.002261, 0.010627, 0.002539, -0.010101, -0.007297, -0.001424, -0.005432, 0.002917, 0.002153, 0.010215, 0.001032, -0.004472, 0.002939, -0.003269, -0.00555, 0.010358, 0.007111, -0.009716, -0.005744, 0.009287, 0.004612, -0.000396, -0.00883, -0.005229, -0.007869, -0.007806, -0.006439, -0.008418, 0.005154, -0.01109, 0.005764, 0.014192, 0.007584, -0.005482, -0.009268, -0.002454, -0.005398, 0.00816, 0.005588, -0.004214, -0.010643, 0.000469, -0.010259, 0.00854, 0.007092, 0.006641, 0.008306, 0.006599, 0.010144, 0.002236, -0.004334, 2.2e-05, -0.002392, -0.002515, 0.005385, 0.002589, -0.000354, 0.008225, -0.005974, -0.008898, -1.2e-05, 0.00381, 0.003889, 0.010061, 0.003883, -0.007856, -0.00471, 0.0034, -0.000843, 0.000512, -0.015992, 0.003895, -0.006615, 0.003598, 0.003253, -0.001704, 0.000223, 0.00619, 0.011064, -0.002202, 0.00115, -0.016365, -0.007045, 0.001715, 0.004931, -0.003269, 0.007099, -0.002887, 0.005914, 0.00057, 0.018252, 0.006599, -0.005008, -0.007443, -0.001026, -0.013071, -0.003976, -0.000218, -0.013814, -0.00091, 0.009398, -0.002529]]},
 "free_energy": -595.78765511,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.336418981369548,
 "numbers": {"__ndarray__": [[78], "int32", [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__": [[78, 3], "float64", [7.2181, 13.34338, 12.41858, 5.18928, 10.94477, 10.70619, 6.09379, 11.50995, 12.69124, 6.76987, 13.62387, 9.21552, 9.09161, 13.20565, 13.66343, 8.24714, 9.99497, 14.59389, 6.66382, 6.40918, 9.29062, 8.5818, 8.97395, 5.40627, 13.1589, 13.72043, 10.84449, 12.7794, 13.16445, 7.46264, 7.73128, 6.4848, 7.30693, 14.48739, 11.90673, 10.9979, 9.51434, 5.17088, 10.78183, 9.71671, 5.6608, 7.58057, 11.15317, 6.87279, 6.33655, 14.7515, 11.09648, 9.00509, 14.10651, 9.0745, 12.53963, 14.74321, 8.84856, 9.15814, 7.83975, 12.54107, 11.98377, 6.28124, 10.78636, 10.63007, 6.92797, 11.25433, 12.01474, 7.50337, 12.79923, 9.34718, 8.29911, 12.99551, 10.60919, 6.80984, 11.44104, 9.38263, 9.61432, 13.36658, 10.59987, 8.4247, 12.64119, 8.13001, 9.19846, 12.49358, 12.82404, 7.58612, 9.9876, 12.53599, 7.096, 10.73934, 8.2449, 6.59369, 9.28527, 10.56788, 10.25897, 12.99769, 11.83692, 8.06395, 11.46294, 7.42011, 7.26957, 8.8927, 11.78126, 8.67892, 9.97068, 13.57008, 7.14163, 9.29228, 8.21687, 9.62414, 11.14634, 13.34143, 9.76664, 13.00484, 8.14181, 10.41549, 13.3928, 9.39416, 6.82424, 8.57736, 9.42921, 8.97744, 10.7667, 6.636, 11.55874, 12.59668, 11.80628, 8.08471, 7.69614, 11.7524, 10.91564, 10.7034, 13.27333, 11.73578, 13.03931, 9.38383, 10.73832, 12.32612, 7.35549, 9.62107, 8.77676, 13.36441, 8.04334, 8.59272, 7.46458, 7.45358, 7.17953, 9.36744, 10.33763, 11.17988, 6.67747, 11.92856, 11.38272, 12.49298, 8.91769, 9.2474, 6.42989, 12.53197, 12.83197, 10.64369, 9.29227, 7.67745, 12.5784, 8.26631, 6.96086, 10.6147, 10.96417, 9.24177, 13.32235, 12.11433, 12.46981, 8.01987, 8.25508, 7.18122, 7.98478, 10.37378, 8.8517, 6.65805, 13.49041, 11.55309, 10.68192, 11.15753, 9.96896, 6.72583, 9.62543, 6.26889, 10.6506, 12.90757, 10.71781, 11.80953, 10.27685, 6.93566, 11.86907, 11.963, 8.55028, 12.64577, 12.77595, 11.12944, 8.19245, 9.74915, 6.675, 8.01588, 10.82121, 7.51148, 7.17605, 13.73694, 10.7959, 9.32067, 13.15999, 9.24441, 11.98254, 11.57725, 7.42998, 11.85876, 12.37577, 10.0161, 7.50807, 10.38822, 6.57606, 9.39039, 12.78958, 8.81669, 8.19531, 13.19067, 8.56181, 10.61831, 11.67024, 7.0488, 9.39998, 12.33232, 7.49856, 10.60734, 11.97514, 7.72719, 8.16379, 13.71335, 9.1981, 9.35932]]},
 "stress": {"__ndarray__": [[6], "float64", [8.901016164422114e-05, 9.381612367115125e-05, 8.771192774603742e-05, -2.421705540842704e-05, 1.722656518743779e-06, -2.1239855555380726e-05]]},
 "unique_id": "536fcbe7318ab3b057386a685b232262",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}