{"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": 20.63554508159397,
 "energy": -667.20007156,
 "forces": {"__ndarray__": [[96, 3], "float64", [-0.008921, -0.008725, 0.00078, -0.00555, -0.000538, 0.008046, -0.006373, -0.00307, -0.006062, -0.002185, 0.005018, -0.002316, 0.002668, 0.000442, 0.009455, -0.002079, 0.006407, -0.001744, -0.007953, -0.001709, 0.008084, -0.006821, 0.000852, -0.004205, -0.005291, 0.006082, 0.010596, -0.006582, 0.004474, -0.000338, -0.004076, 0.011046, 0.003659, -0.011311, -0.002907, -8.8e-05, -0.00197, 0.002417, 0.004687, -0.004245, 0.003461, 0.004135, -0.005275, 0.002764, 0.001379, -0.00301, 0.001302, -0.003299, -0.004075, 0.00011, -0.003456, -0.003062, 0.001022, -0.000984, 0.00301, -0.001302, 0.003299, 0.004075, -0.00011, 0.003456, 0.00197, -0.002417, -0.004687, 0.003062, -0.001022, 0.000984, 0.005275, -0.002764, -0.001379, 0.004245, -0.003461, -0.004135, 0.005291, -0.006082, -0.010596, 0.011311, 0.002907, 8.8e-05, 0.007953, 0.001709, -0.008084, 0.004076, -0.011046, -0.003659, 0.006821, -0.000852, 0.004205, 0.006582, -0.004474, 0.000338, 0.006373, 0.00307, 0.006062, 0.002079, -0.006407, 0.001744, -0.002668, -0.000442, -0.009455, 0.00555, 0.000538, -0.008046, 0.002185, -0.005018, 0.002316, 0.008921, 0.008725, -0.00078, 0.016537, 0.008677, 0.0077, -0.002539, -0.005296, -0.003983, -0.004685, -0.016587, 0.00282, 0.004981, 0.000155, -0.012907, -0.001742, -0.003774, 0.007941, -0.002423, -0.006841, 0.010231, 0.002138, 0.005788, -0.006398, 0.004727, 0.001734, 0.003995, -0.005546, -0.008006, 0.00103, 0.005282, -0.001659, 0.000279, -0.005899, -0.008911, -0.002611, 0.004353, -0.00208, -0.005708, -0.006611, 0.000141, 0.000373, -0.000231, 0.000586, 0.001688, 3.3e-05, 0.006329, 0.001557, 0.000882, -0.003773, 0.006533, -0.00342, -0.003973, -0.00517, 0.001868, -0.001009, 0.006318, 0.004129, 0.005957, -0.003354, 0.002519, 7.8e-05, -0.002571, -0.003905, -0.003495, -0.00318, -0.000537, -0.00252, -0.00142, -0.005998, -0.003733, 0.001244, 0.001591, -0.002535, 0.001344, -0.006113, -0.000221, -0.002667, -0.002901, 0.001645, 0.005091, 0.002521, 0.000306, 0.005105, 7.5e-05, 0.001658, -0.001488, 0.002748, 0.005936, 0.003755, 0.001061, 0.001783, -0.001696, -7.5e-05, -0.001658, 0.001488, -0.002748, -0.005936, -0.003755, 0.006113, 0.000221, 0.002667, -0.001061, -0.001783, 0.001696, -0.002521, -0.000306, -0.005105, 0.002901, -0.001645, -0.005091, 0.000537, 0.00252, 0.00142, -0.001591, 0.002535, -0.001344, 0.005998, 0.003733, -0.001244, -0.001868, 0.001009, -0.006318, 0.003905, 0.003495, 0.00318, -0.000882, 0.003773, -0.006533, -0.002519, -7.8e-05, 0.002571, 0.00342, 0.003973, 0.00517, -0.004129, -0.005957, 0.003354, 0.000231, -0.000586, -0.001688, -3.3e-05, -0.006329, -0.001557, 0.006611, -0.000141, -0.000373, 0.005546, 0.008006, -0.00103, -0.004353, 0.00208, 0.005708, 0.005899, 0.008911, 0.002611, -0.004727, -0.001734, -0.003995, -0.005282, 0.001659, -0.000279, -0.002138, -0.005788, 0.006398, 0.004685, 0.016587, -0.00282, 0.002423, 0.006841, -0.010231, 0.001742, 0.003774, -0.007941, -0.004981, -0.000155, 0.012907, -0.016537, -0.008677, -0.0077, 0.002539, 0.005296, 0.003983]]},
 "free_energy": -667.20007156,
 "key_value_pairs": {"perms_num": 12},
 "mtime": 25.143461947487808,
 "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", [9.41004, 14.73311, 11.02464, 7.63873, 13.44839, 7.4793, 8.95478, 13.33203, 13.40714, 6.50616, 9.96205, 13.40772, 5.98833, 11.18035, 7.47761, 5.3115, 9.09579, 11.02083, 8.22859, 9.94858, 14.71998, 5.81541, 9.02413, 7.35404, 9.49932, 11.69895, 14.72089, 9.63492, 14.2778, 7.35854, 10.5536, 14.94601, 9.19843, 5.46477, 7.94151, 9.19453, 11.45175, 10.7212, 14.64004, 12.53978, 14.07247, 8.94216, 11.31715, 13.18268, 6.49676, 9.76316, 8.39571, 14.63768, 7.38008, 7.76184, 6.49471, 6.91347, 6.32572, 8.93815, 10.23684, 11.60429, 5.36232, 12.61992, 12.23816, 13.50529, 8.54825, 9.2788, 5.35996, 13.08653, 13.67428, 11.06185, 8.68285, 6.81732, 13.50324, 7.46022, 5.92753, 11.05784, 10.50068, 8.30105, 5.27911, 14.53523, 12.05849, 10.80547, 11.77141, 10.05142, 5.28002, 9.4464, 5.05399, 10.80157, 14.18459, 10.97587, 12.64596, 10.36508, 5.7222, 12.64146, 11.04522, 6.66797, 6.59286, 14.6885, 10.90421, 8.97917, 14.01167, 8.81965, 12.52239, 12.36127, 6.55161, 12.5207, 13.49384, 10.03795, 6.59228, 10.58996, 5.26689, 8.97536, 8.11096, 12.21566, 11.77536, 6.70311, 10.67091, 10.57019, 7.30606, 11.10781, 11.77488, 7.75732, 12.50197, 9.40613, 8.34081, 12.92412, 10.57115, 6.92439, 11.35652, 9.40504, 9.62426, 13.71109, 10.65175, 8.31245, 12.76009, 8.02819, 9.22094, 12.46876, 12.76428, 7.40833, 9.97445, 12.76368, 6.85049, 10.75037, 8.02631, 6.34966, 9.20704, 10.64861, 10.2795, 12.92344, 11.77321, 8.1242, 11.36092, 7.46515, 7.30105, 8.82734, 11.77213, 8.64946, 9.98831, 13.7072, 6.71546, 9.19852, 7.95741, 9.59228, 11.28632, 13.70826, 9.7468, 13.36725, 7.96128, 10.42902, 13.86311, 9.32624, 6.45548, 8.39616, 9.3219, 9.06624, 10.67695, 6.83085, 11.5204, 12.45771, 11.73608, 8.12963, 7.79312, 11.73434, 11.07659, 10.74884, 13.6001, 11.89267, 13.26207, 9.32662, 10.83862, 12.4958, 7.21965, 9.621, 8.74502, 13.5978, 7.8844, 8.43074, 7.21666, 7.4822, 7.19251, 9.32345, 10.379, 11.25498, 6.4022, 12.1156, 11.56926, 12.78334, 8.92341, 9.25116, 6.3999, 12.5178, 12.80749, 10.67655, 9.16138, 7.5042, 12.78035, 8.10733, 6.73793, 10.67338, 10.93376, 9.32305, 13.16915, 11.87037, 12.20688, 8.26566, 8.4796, 7.54229, 8.26392, 10.40772, 8.71368, 6.29174, 13.54452, 11.60384, 10.6781, 11.35054, 10.01169, 6.2928, 9.57098, 6.13689, 10.67376, 13.28454, 10.80148, 12.04259, 10.2532, 6.63275, 12.03872, 11.8758, 8.63908, 12.53485, 12.69895, 11.17266, 8.22787, 9.7205, 7.07656, 8.22679, 10.77906, 7.53124, 7.23572, 13.65034, 10.79296, 9.35139, 13.14951, 9.24963, 11.97369, 11.68755, 7.23991, 11.97181, 12.59167, 10.02555, 7.23632, 10.37574, 6.28891, 9.34825, 12.69394, 8.89219, 8.22512, 13.07561, 8.64348, 10.59496, 11.65919, 7.07588, 9.42885, 12.24268, 7.49803, 10.59387, 11.88904, 7.78434, 8.22464, 13.29689, 9.32909, 9.42981]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00014676284558601892, 8.142048654714711e-05, 0.00011584240937639326, 1.0379629676343857e-05, 3.0558428680324434e-05, 1.560377281470815e-05]]},
 "unique_id": "de596b1a676b995a6e2f6cb5c5a7ca4e",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}