{"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": 20.636157748976895,
 "energy": -619.31824271,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.000236, 0.001216, -0.001795, -0.002788, 0.001173, 0.000949, -0.000466, -0.000585, 0.003404, -0.002027, -0.000371, -0.002321, 0.00336, 0.003737, -0.002211, -0.00417, -0.001876, -0.004173, 0.00607, 0.003167, -0.003922, 0.003687, -0.000832, 0.004294, 0.000657, -0.005078, -0.003063, 0.001569, -0.001028, -0.002879, 0.002031, -0.004301, -0.000598, 0.002018, -0.002578, -0.000724, -0.001569, 0.001028, 0.002879, -0.002018, 0.002578, 0.000724, -0.002031, 0.004301, 0.000598, -0.000657, 0.005078, 0.003063, -0.003687, 0.000832, -0.004294, -0.00607, -0.003167, 0.003922, 0.000466, 0.000585, -0.003404, 0.00417, 0.001876, 0.004173, -0.00336, -0.003737, 0.002211, 0.002027, 0.000371, 0.002321, 0.000236, -0.001216, 0.001795, 0.002788, -0.001173, -0.000949, -0.007957, -0.001937, -0.002329, -0.000917, 0.003811, 0.000826, 0.001467, -0.002041, -0.003963, -0.001209, 0.004734, 0.004236, -0.000616, -0.001288, 0.000621, 0.000933, 0.004241, -0.002202, -0.002885, -0.002101, -0.000416, 0.000799, 0.001224, -0.001966, 0.004313, -0.002725, 0.000854, 0.000683, 0.003259, -0.002639, -0.003466, -0.002142, 0.002149, 0.001284, -0.003357, -0.001267, -0.006568, 0.005667, -0.001716, 0.000385, 0.004186, 0.000869, -0.002491, 0.000398, -0.001463, 0.006945, -0.004606, -0.002941, 0.004058, -0.004375, -0.001906, -0.000296, 0.003277, -0.002494, 2.3e-05, 0.000182, -0.000157, 0.004366, -0.003478, -0.004836, -0.000916, -0.002955, -0.000858, 0.006447, 0.004034, 0.001574, 0.002043, -0.007719, 0.005194, -0.001341, -0.000183, -0.009768, -0.000916, 0.000848, -0.00124, -0.00767, 0.003795, -0.004681, -0.000558, -4.9e-05, 9.8e-05, -0.002339, 0.008132, 0.001156, -0.005347, -0.003163, 0.006161, 0.001096, -0.001022, 0.001241, 0.002339, -0.008132, -0.001156, 0.005347, 0.003163, -0.006161, 0.000916, -0.000848, 0.00124, -0.001096, 0.001022, -0.001241, 0.000558, 4.9e-05, -9.8e-05, 0.00767, -0.003795, 0.004681, -0.006447, -0.004034, -0.001574, 0.001341, 0.000183, 0.009768, -0.002043, 0.007719, -0.005194, 0.000296, -0.003277, 0.002494, 0.000916, 0.002955, 0.000858, -0.006945, 0.004606, 0.002941, -0.004366, 0.003478, 0.004836, -0.004058, 0.004375, 0.001906, -2.3e-05, -0.000182, 0.000157, -0.000385, -0.004186, -0.000869, 0.002491, -0.000398, 0.001463, 0.006568, -0.005667, 0.001716, -0.004313, 0.002725, -0.000854, -0.001284, 0.003357, 0.001267, 0.003466, 0.002142, -0.002149, -0.000799, -0.001224, 0.001966, -0.000683, -0.003259, 0.002639, 0.002885, 0.002101, 0.000416, -0.001467, 0.002041, 0.003963, -0.000933, -0.004241, 0.002202, 0.000616, 0.001288, -0.000621, 0.001209, -0.004734, -0.004236, 0.007957, 0.001937, 0.002329, 0.000917, -0.003811, -0.000826]]},
 "free_energy": -619.31844177,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.588048400657854,
 "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", [7.42977, 13.22512, 12.71749, 5.18819, 10.759, 10.81507, 6.00338, 11.66456, 12.58258, 6.86091, 13.66442, 8.94809, 7.51296, 14.29944, 10.86093, 5.47029, 12.04236, 9.15358, 9.66053, 14.8714, 10.83794, 6.67984, 9.85099, 13.67468, 5.93711, 10.89301, 7.30911, 11.33483, 11.02488, 14.57681, 10.99291, 13.19113, 6.44653, 6.74577, 6.45766, 9.19321, 8.66517, 8.97512, 5.42319, 13.25423, 13.54234, 10.80679, 9.00709, 6.80887, 13.55347, 14.06289, 9.10699, 12.69089, 13.32016, 10.14901, 6.32532, 10.33947, 5.1286, 9.16206, 13.99662, 8.33544, 7.41742, 14.52971, 7.95764, 10.84642, 12.48704, 5.70056, 9.13907, 13.13909, 6.33558, 11.05191, 12.57023, 6.77488, 7.28251, 14.81181, 9.241, 9.18493, 7.86373, 12.51057, 11.99617, 6.27981, 10.76812, 10.65035, 6.87089, 11.29543, 12.02128, 7.46274, 12.82235, 9.33245, 8.05955, 13.36567, 10.67844, 6.45826, 11.59922, 9.3307, 9.60635, 13.7823, 10.65931, 8.4551, 12.52088, 8.23897, 9.2567, 12.24204, 12.50398, 7.35695, 9.9897, 12.8124, 6.79, 10.76963, 8.0009, 6.67606, 9.31563, 10.58099, 10.24665, 12.99784, 11.79737, 8.05861, 11.39959, 7.44101, 7.23126, 8.84542, 11.815, 8.78819, 9.99794, 13.28416, 7.08333, 9.3037, 8.19355, 9.60001, 11.16616, 13.27099, 9.73591, 12.99241, 8.21175, 10.37052, 13.43138, 9.40767, 6.8408, 8.62003, 9.41798, 9.00322, 10.72006, 6.70218, 11.56091, 12.58236, 11.81078, 8.02784, 7.72041, 11.81958, 11.05627, 10.77528, 13.53312, 11.69583, 13.0047, 9.38776, 10.79209, 12.44951, 7.2457, 9.61855, 8.88055, 13.29883, 8.03297, 8.58978, 7.46796, 7.50749, 7.24308, 9.37135, 10.38145, 11.11945, 6.70117, 11.96703, 11.41022, 12.53204, 8.94373, 9.22472, 6.46688, 12.49251, 12.75692, 10.62865, 9.20791, 7.55049, 12.7543, 8.30417, 6.9953, 10.61224, 10.99678, 9.27994, 13.29782, 11.97216, 12.27959, 8.18042, 8.43909, 7.41764, 8.18922, 10.39999, 8.83384, 6.72901, 13.1592, 11.37997, 10.58202, 11.21181, 10.00206, 6.71584, 9.62948, 6.56862, 10.59233, 12.91667, 10.6963, 11.80645, 10.26409, 7.00759, 11.78825, 11.94139, 8.60041, 12.55899, 12.76874, 11.15458, 8.185, 9.75335, 7.00216, 8.20263, 10.7433, 7.75796, 7.49602, 13.32394, 10.68437, 9.41901, 13.21, 9.23037, 11.9991, 11.5449, 7.47912, 11.76103, 12.64305, 10.0103, 7.1876, 10.39365, 6.2177, 9.34069, 13.12911, 8.70457, 7.97872, 13.54174, 8.40078, 10.6693, 11.94045, 6.63433, 9.32156, 12.53726, 7.17765, 10.66755, 12.13627, 7.48943, 8.00383, 13.72019, 9.23188, 9.34965]]},
 "stress": {"__ndarray__": [[6], "float64", [9.630648581237867e-05, 8.865439562404581e-05, 9.535777642524441e-05, -1.497962190211982e-07, -2.1545689502549007e-05, -5.873260087456146e-06]]},
 "unique_id": "b39964d75e178316b65fd7293b8b21db",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}