{"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": 20.60264994523591,
 "energy": -595.20472886,
 "forces": {"__ndarray__": [[78, 3], "float64", [-5.9e-05, 0.001724, -0.001555, 0.001395, 0.000311, 0.0015, 0.000876, 0.002047, 0.000472, -0.003047, 6e-05, -0.000668, -5e-05, 0.000766, -0.001541, 0.000811, -0.000955, 0.000253, 0.00149, -0.000527, -0.001086, -0.000943, 0.00154, -0.002442, -0.000199, 0.000669, 0.00027, 0.001814, 0.001411, 0.001329, 0.001111, 0.000882, 0.001437, -0.000209, 0.000784, -0.001043, 0.000281, -0.002169, -0.000837, -0.001149, 0.002097, 0.000193, -0.001129, 0.002572, -0.000315, 0.000554, 0.000769, -0.000931, -0.000808, -0.000844, 0.000379, 0.002058, -1.5e-05, -0.000704, 0.000194, -5.1e-05, -0.000415, -0.001754, 0.001666, -0.001407, 0.001472, -0.000596, -0.000283, 0.003036, 0.002504, 0.000304, 0.004329, 0.000687, -4.9e-05, 0.001738, -0.000415, 0.000541, -0.00169, -0.000966, 0.002187, -0.007919, 0.003307, 0.003828, -0.000887, 0.002585, -0.001616, -0.002259, -0.001396, -0.001842, -0.000931, -0.000537, 0.0007, 0.000832, 0.000211, 0.003404, -0.000285, -0.001638, 0.001652, 0.001315, 0.000208, -0.000649, -7.5e-05, 0.001372, -0.000859, 0.001789, -0.000928, 0.000819, -0.000437, 0.000928, -0.001751, -0.00081, 0.000337, -0.001548, 0.00214, 0.000333, -0.003063, -1.2e-05, -0.002154, 0.003603, 0.002256, -0.000183, -2.3e-05, -0.001134, -0.001424, -0.00183, 0.001081, 0.000476, 0.000248, 0.001574, -0.002226, 0.000394, 0.001195, 0.002907, 0.000308, -0.000155, 0.000275, -0.001008, 0.000354, 0.000252, -0.002039, -0.001292, -0.00213, -0.000533, 0.001671, 0.002098, 0.00023, 0.001042, 0.001067, -0.003478, 0.000191, -0.002471, 0.003812, 0.001931, -0.001607, 0.00058, 0.002382, -0.000421, 0.000307, 0.001629, -0.001163, -0.000369, -0.001006, -0.002097, -0.002087, -0.000458, -4.7e-05, 0.002218, 0.002043, -0.003418, -0.003596, 0.000413, 0.001528, 0.003544, -0.001661, 0.002929, 0.004021, -0.001207, 0.001287, -0.001223, -0.002025, 0.001485, 0.000992, 0.004712, -0.000802, -0.001149, -0.004171, -2.6e-05, 0.002405, -0.001778, -0.002319, -0.000346, -0.003182, -0.001532, -0.002484, -0.000845, 0.000256, 0.001846, 0.000903, -0.002112, 0.00044, -0.002798, -0.000286, -0.001718, 0.003443, 0.00217, 0.001283, -0.000282, 0.00019, 0.001488, -0.00411, -0.004128, 0.003984, 0.001539, 0.001923, -0.002483, -0.001642, 0.000312, 0.000306, -0.000552, -0.001904, 0.000281, 5e-06, -0.000265, -0.001513, -0.001259, -0.00277, -0.001919, 0.000195, 0.00222, 0.001608, 0.000406, -0.000188, -0.000363, -0.002113, -0.002482, -0.002244, 0.000123, -0.001955, 0.001841]]},
 "free_energy": -595.31639732,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.336418709985228,
 "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", [10.37254, 8.31464, 5.35303, 11.93387, 10.00176, 5.40823, 10.28851, 11.60016, 5.32741, 13.22891, 6.4566, 10.77858, 7.68992, 6.33981, 7.59591, 14.0844, 10.90023, 12.57582, 9.48645, 11.60894, 14.70101, 9.45575, 5.16296, 10.88015, 6.7316, 13.62331, 9.13502, 11.10552, 13.31177, 6.48832, 7.20126, 13.21993, 12.55402, 14.70604, 8.85212, 9.16211, 9.82551, 5.78173, 7.50458, 5.84017, 9.10948, 7.6142, 7.39802, 8.13063, 6.27843, 14.75601, 11.15601, 9.1391, 9.47341, 8.35337, 14.6529, 6.17777, 8.42827, 12.53064, 7.86629, 12.5331, 11.98861, 6.63566, 10.75764, 10.61517, 7.21599, 11.18564, 11.82006, 7.48223, 12.8328, 9.34411, 8.24419, 13.10496, 10.61608, 6.79416, 11.4643, 9.38933, 9.57754, 13.38939, 10.59889, 8.43773, 12.64205, 8.1536, 9.22917, 12.37538, 12.66609, 7.64289, 10.04357, 12.58973, 7.08384, 10.7485, 8.22828, 6.63521, 9.30506, 10.58913, 10.18397, 12.93693, 11.85864, 8.09368, 11.43089, 7.4908, 7.05449, 8.78596, 11.95334, 8.73281, 10.02077, 13.39921, 6.83389, 9.26575, 8.07146, 9.58135, 11.27592, 13.6444, 9.75787, 13.06068, 8.1513, 10.36722, 13.42981, 9.38865, 6.8878, 8.61474, 9.44119, 9.09285, 10.66415, 6.81509, 11.55314, 12.52282, 11.8663, 8.0945, 7.71805, 11.8217, 10.9915, 10.72141, 13.37757, 11.71053, 12.99331, 9.40155, 10.83418, 12.51568, 7.20581, 9.57306, 8.75331, 13.6234, 7.89916, 8.47038, 7.20254, 7.72211, 7.44091, 9.43007, 10.40763, 11.25759, 6.36885, 11.95619, 11.43921, 12.65734, 9.07217, 9.30561, 6.78859, 12.30816, 12.50477, 10.61968, 9.24864, 7.69539, 12.58455, 8.28567, 6.9897, 10.59821, 10.97939, 9.30595, 13.36731, 11.99735, 12.31726, 8.17081, 8.26123, 7.17301, 8.03968, 10.41406, 8.73451, 6.37957, 13.21573, 11.46902, 10.62853, 11.37917, 10.01246, 6.36003, 9.61076, 6.24106, 10.67777, 13.15748, 10.77115, 11.98081, 10.25649, 6.94278, 11.88359, 11.89104, 8.60322, 12.57881, 12.80058, 11.20164, 8.18085, 9.76845, 6.74896, 8.04703, 10.76708, 7.69813, 7.40069, 13.72147, 10.83113, 9.35916, 12.8663, 9.3168, 11.76567, 11.5609, 7.38362, 11.88989, 12.40465, 10.03079, 7.46742, 10.38643, 6.52882, 9.42704, 12.76509, 8.91444, 8.18681, 13.13792, 8.63679, 10.62345, 11.63369, 7.05082, 9.44522, 12.47187, 7.25887, 10.67069, 11.87035, 7.79643, 8.20711, 13.68921, 9.24057, 9.36133]]},
 "stress": {"__ndarray__": [[6], "float64", [7.897381496980086e-05, 8.844842582289165e-05, 8.175128653081893e-05, 6.160369507246775e-06, -1.2433086178759452e-05, -1.878694246890861e-06]]},
 "unique_id": "c682dab58acf9fb765f76da9f9100bb4",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}