{"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": 20.635545506399737,
 "energy": -662.17523048,
 "forces": {"__ndarray__": [[96, 3], "float64", [-0.006815, -0.001332, -0.008078, 0.005193, 0.00057, 0.006642, -0.001897, -0.005707, -0.002445, 0.009278, 0.005066, -0.006677, 0.002515, -0.006956, 0.008784, 0.005219, 0.00275, -0.00768, -8e-06, 0.001158, -0.003552, -0.000318, -0.000123, -0.000294, -0.00276, 0.000489, 0.000217, 0.010766, -0.006731, 0.036879, -0.02356, -0.03301, -0.021301, 0.023267, 0.034355, -0.024323, -0.030783, 0.008492, -0.016382, -0.032092, 0.001891, 0.009804, -0.027573, 0.005778, 0.028498, -0.019432, 0.022001, -0.014084, -0.011174, 0.023153, 0.026561, -0.008169, 0.03396, 0.00902, -0.000667, -0.000767, -0.014817, -0.00604, -0.016622, 0.011766, 0.019364, 0.014192, 0.012499, 0.009149, 0.000813, 0.019035, -0.01332, -0.016679, -0.006524, 0.001877, -0.006101, 0.023572, 0.014899, 0.016094, -0.007579, -0.008684, -0.008181, -0.012502, 0.008484, 0.014634, -0.015616, 0.009407, -0.00824, 0.012654, 0.013276, 0.006134, -0.006262, 0.001951, -0.015833, -0.011733, -0.009059, 0.010284, -0.011536, 0.004668, 0.016653, 0.01132, -0.00158, 0.019757, 0.008481, -0.019329, -0.004529, 0.008061, -0.008417, 0.0061, -0.013625, -0.013567, -0.007333, 0.010289, 0.010327, -0.016644, -0.022765, 0.025065, 0.022184, -0.015537, -0.011927, -0.004965, -0.018001, 0.0447, 0.019139, 0.016579, -0.008997, -0.018457, -0.009787, -0.01246, -0.057671, 0.022406, -0.030214, -0.00375, -0.004307, -0.020621, 0.002715, 0.030681, -0.041571, -0.019386, -0.005536, -0.001625, 0.039303, -0.009207, -0.009937, 0.008429, 0.026209, -0.010747, 0.032711, -0.00414, -0.018025, -0.002691, 0.009748, -0.015167, 0.007317, 0.009794, -0.008268, 0.017717, -0.008311, -0.018049, 0.010086, -0.037749, 0.022515, 0.03868, 0.015488, -0.006149, 0.006487, -0.040749, -0.022933, -0.019762, 0.026524, -0.021082, -0.030932, 0.014431, 0.019532, 0.02234, 0.025333, -0.020573, 0.01522, 0.007231, -0.018048, 0.02873, -0.000428, -0.028972, -0.000554, 0.008777, 0.00184, -0.007693, 0.011115, 0.003423, 0.002545, -0.007488, 0.009918, -0.008282, -0.00473, -0.001148, 0.001312, 0.004129, -0.001446, -0.005017, -0.00832, 0.000797, -0.002279, -0.006243, 0.021427, -0.012484, -0.029769, 0.033333, 0.001362, 0.004622, 0.012436, 0.000453, -0.023532, 0.019092, 0.003617, 0.010571, 0.008099, -0.029098, 0.018154, -0.001161, -0.030636, 0.006032, -0.01485, 0.019238, 0.016049, -0.007269, 0.019753, -0.001876, -0.022597, 0.009176, -0.003547, 0.029789, -0.017805, 0.013447, 0.023504, -0.022442, -0.016381, 0.023045, -0.013873, 0.004185, 0.021367, -0.00995, -0.009484, 0.006534, -0.02686, -0.006899, 0.025807, -0.007804, -0.01482, -0.004642, 0.007473, 0.009998, -0.006503, 0.019073, -0.012279, -0.022918, 0.000665, 0.004186, -0.020328, 0.043841, -0.042606, -0.007773, 0.030435, 0.047824, 0.003523, 0.041064, 0.001467, -0.039804, -0.016504, 0.007867, -0.047952, 0.01426, -0.034813, -0.028433, 0.002472, 0.041277, 0.046801, -0.034193, -0.028058, 0.065083, -0.021626, 0.006522, 0.041184, -0.043792, -0.003143, 0.033381, -0.045526, 0.002571, 0.046752, -0.038984, -0.022572, 0.058848, -0.024318, -0.009215]]},
 "free_energy": -662.17523048,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.586070119399523,
 "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", [9.41744, 14.85097, 10.62319, 7.90282, 13.7508, 7.59376, 8.83115, 13.04905, 13.68785, 6.738, 10.16827, 13.68617, 5.7861, 10.83589, 7.59294, 5.2079, 9.05558, 10.62036, 10.32152, 14.3296, 12.60741, 7.18198, 12.04852, 6.32527, 5.98101, 8.35576, 12.60487, 8.8017, 10.87227, 5.23873, 12.45044, 13.5229, 12.54005, 7.40612, 6.57924, 12.53862, 11.51914, 11.25275, 14.14427, 12.38185, 13.90441, 9.63414, 10.75898, 12.72493, 6.38815, 9.27627, 8.16648, 14.14271, 7.64357, 8.43607, 6.38662, 7.02255, 6.52824, 9.63173, 11.17642, 9.14364, 14.61335, 12.52969, 13.3055, 7.53496, 7.63879, 6.57177, 7.53292, 10.1671, 8.39014, 5.28371, 14.33221, 12.33813, 10.78557, 11.58279, 10.3406, 5.28512, 9.11413, 5.15731, 10.7844, 13.94175, 11.13294, 12.83581, 10.1383, 5.90197, 12.83492, 12.77531, 7.98254, 13.73817, 13.98943, 11.7198, 7.3811, 9.59883, 5.6739, 7.37876, 11.35871, 6.78825, 6.49115, 14.83391, 10.6908, 9.21221, 14.24917, 8.88828, 12.27727, 12.36835, 6.30141, 12.27695, 13.47441, 9.70279, 6.49169, 10.83686, 5.18816, 9.21151, 8.02816, 12.30215, 11.795, 6.61057, 10.73377, 10.60938, 7.20308, 11.16402, 11.79417, 7.65619, 12.56335, 9.41403, 8.25483, 12.99752, 10.61006, 6.83892, 11.43739, 9.41356, 9.57225, 13.75627, 10.64944, 8.27037, 12.81034, 8.04508, 9.16376, 12.5001, 12.78716, 7.3641, 10.0221, 12.78599, 6.79419, 10.77705, 8.04435, 6.29712, 9.24606, 10.64784, 10.25571, 13.39099, 12.0424, 7.79531, 11.60284, 7.11878, 6.85423, 8.70793, 12.04112, 8.81045, 10.0337, 13.16977, 7.15799, 9.34473, 8.28154, 9.59954, 11.12007, 13.17002, 9.74446, 12.90739, 8.28343, 10.31559, 13.32261, 9.42545, 6.93975, 8.67363, 9.42351, 8.9106, 10.79247, 6.33945, 11.74435, 12.85096, 12.01064, 7.82617, 7.45871, 12.00899, 11.03739, 10.76056, 13.26618, 11.7622, 12.99052, 9.47467, 10.71948, 12.23309, 7.38914, 9.59621, 8.77715, 13.26546, 8.10046, 8.62538, 7.38709, 7.70126, 7.39941, 9.47257, 10.26764, 10.86109, 6.96355, 11.8646, 11.3686, 12.1656, 9.26505, 9.47888, 6.96182, 12.14202, 12.22276, 10.71281, 9.27322, 7.80356, 12.16327, 8.54761, 7.27583, 10.71152, 11.05349, 9.23313, 13.5235, 12.09667, 12.44354, 8.06493, 8.32521, 7.24996, 8.06269, 10.40676, 8.72395, 6.3128, 13.51926, 11.59302, 10.67572, 11.33956, 10.00907, 6.31428, 9.57226, 6.16031, 10.67398, 13.26223, 10.79908, 12.02689, 10.24722, 6.65138, 12.02585, 12.20118, 8.39998, 12.90065, 13.14612, 11.30952, 7.95208, 9.72888, 6.60285, 7.94929, 10.82767, 7.47802, 7.1717, 13.74159, 10.78409, 9.3485, 13.23701, 9.22905, 11.99393, 11.73246, 7.15948, 11.99336, 12.65427, 9.99346, 7.17242, 10.41082, 6.1984, 9.34716, 12.53929, 9.00587, 8.27612, 12.90601, 8.74683, 10.62818, 11.50433, 7.19764, 9.45705, 12.08946, 7.6225, 10.62745, 11.73021, 7.89333, 8.27567, 13.12985, 9.43492, 9.45823]]},
 "stress": {"__ndarray__": [[6], "float64", [7.16213172195104e-05, 0.0001745188366688218, 0.0002571876250411455, -2.273781774559271e-05, 4.760399010311162e-05, 0.00011252816803054925]]},
 "unique_id": "29bb39f303b78e4f2744e770230ee492",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}