{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [19.264154178, -0.108394163, 0.005664066, -0.108371174, 19.599057785, -0.097311131, 0.005805391, -0.097345069, 19.620493906]]},
 "ctime": 20.602625016818592,
 "energy": -616.16864199,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.025449, -0.011679, 0.025145, 0.020047, -0.01201, 0.00927, -0.017088, -0.006571, 0.0389, -0.014959, -0.043389, -0.00387, -0.019764, 0.022997, -0.027118, -0.002132, 0.026602, -0.020897, -0.007472, 0.056228, 0.038351, -0.017499, -0.010276, 0.023556, -0.000221, 0.02262, -0.002548, -0.019544, 0.056338, -0.043137, -0.03527, -0.003049, -0.002473, 0.012515, 0.012347, 0.020933, -0.019513, -0.01438, 0.006366, 0.025851, -0.006475, 0.015982, -0.028056, 0.008575, 0.000623, -0.000417, 0.018189, -0.023434, -0.038072, -0.04054, -0.052971, -0.01855, -0.001413, 0.012504, 0.03968, 0.028721, -0.063886, 0.004993, -0.023057, -0.031957, 0.013486, -0.007885, 0.021409, 0.014627, 0.051017, 0.070674, -0.001081, -0.039388, 0.00736, 0.025046, -0.018427, 0.004408, 0.044618, -0.044009, 0.067324, -0.008658, -0.036531, -0.010496, -0.037934, -0.038505, 0.02127, 0.098176, 0.030055, 0.069459, 0.032782, -0.063095, -0.097228, -0.000378, -0.019355, 0.083488, 0.014655, 0.036168, 0.008739, 0.036143, 0.015644, 0.005697, -0.025449, 0.035294, -0.075208, -0.02881, 0.068291, -0.029588, 0.022482, -0.023534, -0.05239, -0.009303, 0.06848, -0.017111, 0.016947, 0.068941, -0.086259, -0.047176, -0.104506, 0.03136, -0.00374, -0.005199, 0.02332, 0.069807, -0.090936, -0.013594, -0.00786, 0.009499, -0.046967, -0.028951, -0.028067, 0.031393, 0.007254, -0.020543, -0.023115, 0.020972, 0.002136, 0.074683, -0.051832, 0.021956, -0.000563, -0.00018, 0.01676, 0.014878, -0.045372, 0.010425, 0.12817, 0.078344, -0.023056, 0.018964, 0.033185, -0.000876, 0.020135, -0.091214, 0.04959, 0.025975, -0.024613, 0.02486, -0.069805, -0.044902, -0.012125, 0.029022, -0.040256, 0.033239, -0.05268, -0.029119, -0.039585, 0.081416, -0.094794, 0.037599, 0.021985, -0.009275, 0.031282, 0.044003, 0.00791, 0.059831, -0.02144, 0.019674, 0.065869, -0.148865, -0.057673, 0.069268, 0.005661, 0.074566, -0.040074, -0.096729, -0.051415, -0.021012, 0.007399, 0.004223, 0.104921, 0.077579, -0.011714, -0.056542, -0.019022, -0.058872, -0.03643, -0.002698, 0.015564, 0.006128, 0.024174, 0.011887, -0.020711, 0.016981, -0.032062, 0.026428, 0.040752, 0.019098, 0.011931, -0.020249, 0.026792, -0.000909, 0.038356, -0.022903, 0.052905, 0.078918, 0.107989, -0.114747, -0.029967, 0.033917, 0.012475, 0.018246, 0.062542, -0.008751, -0.038532, 0.071061, -0.060624, 0.025235, 0.047228, 0.00306, -0.039761, -0.03517, -0.072307, -0.039185, -0.002258, 0.010457, -0.021439, -0.007796, 0.023769, -0.072058, -0.025382, -0.055653, 0.055219, -0.025706, -0.073995, -0.040024, 0.053219, 0.013687, -0.009496, 0.031135, -0.036332, 0.042853, 0.008479, -0.010349, -0.011363, -0.001038, 0.072314, -0.070009]]},
 "free_energy": -616.30279121,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.58477300986785,
 "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", [6.84721, 13.07505, 12.37112, 4.84727, 10.57178, 10.29959, 5.58299, 11.36768, 12.36329, 6.21772, 12.71294, 9.02968, 7.3911, 14.00773, 10.45376, 7.54221, 13.38184, 7.33264, 8.78787, 13.06903, 13.37926, 6.34823, 9.60203, 13.46418, 5.5531, 10.62801, 7.6485, 6.806, 11.65538, 6.19236, 5.69353, 8.31781, 11.68795, 9.12696, 11.18684, 14.46221, 5.293, 8.10549, 9.14532, 8.26733, 10.72808, 5.01666, 6.97001, 6.6605, 12.46891, 10.70899, 13.00697, 6.31767, 6.83861, 7.7078, 6.11766, 6.25444, 6.16242, 8.90013, 10.40604, 11.19903, 5.09528, 8.54217, 8.55756, 5.05703, 7.15451, 5.42109, 10.65391, 7.6155, 5.90943, 7.19911, 9.26871, 4.85217, 10.80349, 10.22127, 4.9124, 8.82162, 7.43352, 12.31765, 11.83679, 5.94857, 10.51346, 10.42498, 6.48287, 11.04475, 11.82541, 7.23274, 12.28744, 9.18643, 7.78995, 12.9784, 10.44077, 6.86962, 10.82628, 9.32561, 9.27849, 13.03039, 10.40326, 7.96047, 12.47548, 7.81038, 8.83801, 12.27534, 12.61973, 7.00915, 9.74544, 12.58938, 6.62, 10.36968, 7.8789, 6.7049, 9.24464, 10.22638, 9.87071, 12.66092, 11.58629, 7.50673, 11.24493, 6.92774, 6.76713, 8.58517, 11.57742, 8.42214, 9.7611, 13.04233, 6.79152, 8.92112, 7.84805, 9.24465, 10.97539, 13.38089, 9.41921, 12.63474, 7.97439, 9.99371, 12.97906, 9.17889, 6.40083, 8.27059, 9.10395, 8.57836, 10.49322, 6.04339, 11.23854, 12.27266, 11.60961, 7.53191, 7.25811, 11.72783, 10.67495, 10.46402, 13.14385, 11.40353, 12.63278, 9.18135, 10.48459, 12.17367, 7.01287, 9.24901, 8.65956, 12.94213, 7.53172, 8.09101, 6.90024, 7.08179, 6.85902, 9.09115, 10.11147, 10.9387, 6.12262, 11.64642, 11.14396, 12.40695, 8.63131, 8.89359, 6.10379, 12.00325, 12.25833, 10.39845, 8.9142, 7.47972, 12.22965, 7.71472, 6.34021, 10.44154, 10.64225, 9.05444, 13.04927, 11.68561, 11.9969, 7.94848, 7.94797, 6.80807, 7.76115, 10.02039, 8.60489, 6.5658, 12.8928, 11.12344, 10.41294, 10.85344, 9.69687, 6.54114, 9.24987, 5.90317, 10.47705, 12.65585, 10.40787, 11.65282, 9.86868, 6.75356, 11.56285, 11.6167, 8.30476, 12.36241, 12.5028, 10.87233, 7.97097, 9.40376, 6.70685, 8.00501, 10.34094, 7.47873, 7.36066, 13.12415, 10.43151, 9.21579, 12.6521, 9.00593, 11.64401, 11.23449, 7.1432, 11.61377, 12.08665, 9.69543, 7.24832, 10.06361, 5.96049, 9.14487, 12.46864, 8.54777, 8.01242, 12.89389, 8.27567, 10.41437, 11.42992, 6.65503, 9.22764, 12.02599, 7.10085, 10.4116, 11.61255, 7.43107, 8.06307, 13.12443, 8.98102, 9.22555]]},
 "stress": {"__ndarray__": [[6], "float64", [1.4499025699426809e-05, -6.627858540775433e-05, -9.60006518652104e-05, -5.5112525581549165e-06, 4.826559007045524e-05, -1.047949382235799e-05]]},
 "unique_id": "6e415360dea5a8a167847f8a84493dce",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}