{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [19.863648574, 0.0, -0.080476824, 0.0, 19.862925628, 0.0, -0.080983695, 0.0, 19.695450014]]},
 "ctime": 20.602622279467074,
 "energy": -619.8457245,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.016269, -0.00113, 0.014739, -0.022433, -0.019836, 0.025594, -0.013445, -0.026156, 0.002466, -0.012928, 0.013487, 0.035467, -0.017769, -0.000424, 0.005999, -0.006005, 0.027295, -0.030797, -0.034545, 0.013529, 0.039095, 0.023596, 0.025697, 0.026895, 0.017769, -0.000424, -0.005999, 0.00347, -0.04354, -0.028749, 0.012928, 0.013487, -0.035467, 0.006005, 0.027295, 0.030797, -0.008674, -0.081057, -0.005702, -0.016269, -0.00113, -0.014739, -0.000457, -0.014396, 0.025023, -0.039815, -0.029655, 0.031232, 0.013445, -0.026156, -0.002466, 0.039815, -0.029655, -0.031232, 0.022433, -0.019836, -0.025594, 0.034545, 0.013529, -0.039095, 0.000457, -0.014396, -0.025023, -0.023596, 0.025697, -0.026895, 0.008674, -0.081057, 0.005702, -0.00347, -0.04354, 0.028749, -0.013353, 0.067544, -0.005881, -0.018064, -0.001618, 0.003326, 0.007538, -0.037418, -0.025956, 0.029408, -0.002936, -0.007392, -0.010106, 0.019876, 0.021241, 0.070927, -0.007619, -0.063639, 0.02703, -0.008201, 0.042728, -0.010891, -0.005405, -0.022303, 0.006087, -0.01876, 0.027124, -0.11442, 0.000373, 0.013702, 0.021246, -0.106332, -0.070473, -0.006226, -0.006405, 0.022061, -0.000937, 0.072458, -0.061477, -0.089034, 0.072037, 0.051414, 0.012508, -0.021372, -0.095999, 0.07769, 0.033935, -0.03494, -0.061713, 0.154239, -0.038251, 0.000623, -0.055079, -0.04293, 0.000937, 0.072458, 0.061477, -0.02703, -0.008201, -0.042728, -0.044819, 0.017489, 0.094398, 0.069413, -0.100579, -0.061914, 0.010891, -0.005405, 0.022303, 0.044123, 0.037875, 0.046611, -0.069413, -0.100579, 0.061914, 0.010106, 0.019876, -0.021241, -0.006087, -0.01876, -0.027124, -0.030612, -0.017186, 0.019779, 0.041491, -0.049038, -0.099245, 0.011806, 0.041069, 0.034427, -0.000623, -0.055079, 0.04293, 0.089034, 0.072037, -0.051414, -0.089737, 0.064316, -0.029844, -0.029408, -0.002936, 0.007392, -0.033758, -0.01868, 0.02046, -0.001744, 0.000378, 0.038185, 0.089737, 0.064316, 0.029844, 0.013353, 0.067544, 0.005881, -0.005198, -0.011793, 0.045548, 0.030612, -0.017186, -0.019779, -0.070927, -0.007619, 0.063639, -0.07769, 0.033935, 0.03494, -0.037743, 0.029392, 0.034069, -0.021246, -0.106332, 0.070473, -0.018416, -0.006374, -0.014397, -0.041491, -0.049038, 0.099245, -0.007538, -0.037418, 0.025956, 0.018416, -0.006374, 0.014397, 0.033758, -0.01868, -0.02046, 0.018064, -0.001618, -0.003326, 0.061713, 0.154239, 0.038251, 0.005198, -0.011793, -0.045548, 0.11442, 0.000373, -0.013702, 0.037743, 0.029392, -0.034069, -0.012508, -0.021372, 0.095999, 0.044819, 0.017489, -0.094398, 0.001744, 0.000378, -0.038185, -0.011806, 0.041069, -0.034427, -0.044123, 0.037875, -0.046611, 0.006226, -0.006405, -0.022061]]},
 "free_energy": -619.8457245,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.584867533239233,
 "numbers": {"__ndarray__": [[84], "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, 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__": [[84, 3], "float64", [7.08157, 13.27028, 12.4542, 5.09425, 10.82687, 10.45904, 5.81992, 11.59086, 12.40106, 7.33753, 14.19101, 10.45134, 9.47065, 14.8059, 10.83588, 9.04719, 13.13115, 13.45789, 6.62085, 9.90023, 13.59725, 5.80542, 8.32406, 12.20617, 10.31201, 14.8059, 8.7791, 7.25476, 6.66766, 12.52806, 12.44513, 14.19101, 9.16363, 10.73547, 13.13115, 6.15708, 7.29141, 5.70454, 10.48953, 12.70109, 13.27028, 7.16077, 9.36523, 4.93397, 10.71859, 10.28551, 5.83901, 12.51403, 13.96275, 11.59086, 7.21391, 9.49715, 5.83901, 7.10094, 14.68841, 10.82687, 9.15593, 13.16182, 9.90023, 6.01773, 10.41743, 4.93397, 8.89638, 13.97725, 8.32406, 7.40881, 12.49125, 5.70454, 9.12544, 12.52791, 6.66766, 7.08692, 7.65982, 12.54306, 11.87003, 6.19596, 10.70897, 10.4794, 6.71433, 11.24571, 11.86766, 7.63142, 12.4566, 9.30765, 7.96139, 13.28149, 10.48626, 6.79734, 11.3755, 9.2837, 9.48201, 13.75595, 10.4889, 8.42818, 12.46528, 8.08389, 9.05786, 12.44227, 12.58887, 7.19324, 9.94232, 12.65591, 7.01503, 10.64526, 8.03585, 6.53503, 9.22172, 10.44601, 10.08723, 12.93209, 11.57714, 7.99038, 11.33748, 7.267, 6.78121, 8.6583, 11.80607, 8.62859, 9.96283, 12.99321, 6.98934, 9.2503, 8.03222, 9.43476, 11.06582, 13.04022, 9.69543, 12.93209, 8.03784, 10.30065, 13.75595, 9.12607, 6.82519, 8.55847, 9.30418, 8.95241, 10.62647, 6.55778, 11.35449, 12.46528, 11.53108, 7.72617, 7.37838, 11.82451, 10.83025, 10.62647, 13.05719, 11.82128, 13.28149, 9.12871, 10.72481, 12.44227, 7.02611, 9.46648, 8.76846, 12.96765, 7.97331, 8.52779, 7.30936, 7.67453, 7.37115, 9.27237, 10.34791, 11.06582, 6.57475, 11.79228, 11.33748, 12.34797, 8.92875, 9.20419, 6.5547, 12.15124, 12.4566, 10.30733, 9.11107, 7.63895, 12.31651, 7.97585, 6.56779, 10.47391, 10.85391, 9.20419, 13.06028, 12.12284, 12.54306, 7.74494, 8.36171, 7.35697, 8.09297, 10.31619, 8.76846, 6.64733, 12.98532, 11.3755, 10.33127, 11.15408, 9.96283, 6.62176, 9.46989, 6.00161, 10.49043, 12.76764, 10.64526, 11.57912, 10.12977, 6.64469, 11.77021, 11.80936, 8.52779, 12.30562, 13.06834, 11.24571, 7.74732, 9.6529, 6.64469, 7.84476, 10.67159, 7.63895, 7.29846, 13.58671, 10.70897, 9.13558, 12.79333, 9.2503, 11.58275, 11.42096, 7.35697, 11.52201, 12.58943, 9.94232, 6.95906, 10.31277, 6.00161, 9.12455, 13.00146, 8.6583, 7.80891, 12.95747, 8.55847, 10.3108, 11.80681, 6.56779, 9.14106, 12.10814, 7.37115, 10.34261, 12.0565, 7.37838, 7.79046, 13.24764, 9.22172, 9.16896]]},
 "stress": {"__ndarray__": [[6], "float64", [-5.0169250353849624e-05, -2.1907697031850235e-06, -2.064691218842182e-05, -0.0, 3.098285130088449e-05, -0.0]]},
 "unique_id": "c34e0226ac44dd75abe779b5f9a5904e",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}