{"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": 20.636166342876294,
 "energy": -611.44624083,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.001852, 0.004892, -0.003322, -0.001188, -0.001947, -0.002532, 0.002553, 0.002498, -0.000757, -0.004669, -0.001787, 0.002658, -0.001404, -0.001331, 0.001575, 0.00114, 0.001295, -0.002771, 0.004394, -0.00137, -0.001372, -0.002635, -0.002883, 0.002884, -0.001754, 0.002359, -0.00093, 0.006626, 0.000229, -0.002263, -0.004665, 0.004175, -0.0015, 0.003765, -0.003257, 0.0004, -0.00179, 0.00154, 0.000902, -0.004994, -0.001131, 0.001737, -0.001888, -0.000185, -0.003027, -0.003825, 0.002973, -0.000583, 0.000902, 0.004553, -0.004476, -0.002273, 0.000619, 0.00413, 0.001663, -0.001207, 0.00261, 0.000323, 0.000743, -0.000836, 0.002025, -0.002651, -0.000375, 0.004993, -0.000119, -0.000143, -0.00045, -0.001679, 0.000816, -0.003079, -0.004451, 0.004956, 0.002976, 0.000688, -0.004238, -0.000955, 0.00682, 0.000993, 0.001515, 0.001303, 0.001236, 0.007533, -0.00851, -0.002296, -0.000979, -0.003588, -0.002507, -0.002895, -0.004435, -0.005623, -0.000859, 0.000682, -0.002401, 0.002323, -0.006031, -0.003699, -0.00572, -0.011954, 0.007247, -0.003134, 0.00129, -0.001448, 0.001159, -0.001239, -0.0025, 0.011335, -0.002503, -0.005925, -0.003893, 0.005772, 0.000134, -0.005168, 0.000262, 0.00159, 0.011212, -9.7e-05, 0.00383, -0.003874, -0.004305, 0.001868, 0.001343, 0.002376, -0.000664, 0.009139, 0.001689, 0.004093, 0.001758, 0.002284, 0.004584, 0.003334, 0.001923, -0.003109, 0.001112, 0.007958, 0.007233, 0.001448, 0.006933, 0.001348, -0.004406, 9.6e-05, -0.001106, -0.005522, 0.006378, -0.003363, -0.007634, -0.006213, 0.002839, 0.00136, 0.002852, -0.001745, -0.004538, 0.004456, 0.01279, 0.003248, 0.009015, 0.000341, -0.000169, 0.004852, -0.001754, -0.001803, -0.001146, 0.000397, -0.002788, -0.009218, -0.002031, 0.00921, 0.011402, -0.008339, 0.003307, 0.002369, -0.002577, 0.002326, -0.00446, 0.005158, -0.005535, 0.002818, -0.008896, 0.004431, -0.007436, 0.004611, -0.000132, 0.001933, 0.000761, 0.003472, -0.0005, 0.00158, -0.011711, -2e-05, -0.00606, 0.007104, 0.001652, 0.000449, -0.0006, -0.003247, -0.000202, 0.000604, 0.000595, 0.001803, 0.001512, -0.003653, 0.000991, 0.002771, -0.004702, -0.000428, -0.000909, -0.00402, -0.004955, -4.5e-05, 5e-06, 0.001822, -0.001172, -0.002787, -0.005855, 0.00508, 0.002078, -0.002376, -0.003501, -0.010162, 0.003227, -0.006872, -0.007087, 0.005134, 0.003606, -0.003371, 0.000896, -0.000236, 0.001213, 0.002593, 0.002026, -0.002553, -0.003081, -0.007419, 0.000262, 0.009197, 0.000915, 0.004474, -0.001838, 0.002654, 0.014611, -0.004767, 0.00029, 0.004154, -0.001477, -0.010075, 0.004084, -0.001969, 0.003291, -0.000427, 0.001821, -0.006471, -0.007497, 0.008881]]},
 "free_energy": -611.75859604,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.582865935114462,
 "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", [7.29928, 13.19113, 12.60882, 5.21689, 10.87037, 10.88898, 5.62181, 12.11124, 9.10787, 9.44935, 14.80457, 10.96674, 6.53227, 9.90242, 13.50385, 7.25577, 12.11771, 6.49388, 8.41959, 10.03756, 14.67329, 5.94045, 9.00862, 7.38857, 10.49954, 14.80313, 9.00682, 8.70272, 10.89681, 5.32658, 6.72694, 6.43976, 9.03186, 13.19999, 13.63946, 10.89028, 7.57693, 5.8215, 10.99175, 11.41862, 9.07436, 14.62722, 12.63374, 13.27166, 7.39353, 11.69434, 9.91346, 5.37416, 14.06501, 11.1119, 12.56034, 10.20301, 5.80626, 12.60695, 14.0005, 11.54379, 7.54212, 14.13683, 8.89285, 12.44259, 12.32504, 6.39777, 12.45781, 10.44754, 5.17459, 9.11049, 13.99826, 8.46201, 7.55921, 12.63568, 6.70883, 7.4416, 7.84705, 12.46266, 11.96297, 6.3015, 10.75791, 10.65817, 7.12788, 11.16216, 11.84726, 7.69159, 12.57995, 9.45092, 8.20127, 13.06305, 10.59932, 6.56472, 11.56393, 9.33975, 9.56731, 13.75071, 10.65812, 8.45619, 12.57347, 8.21215, 9.25516, 12.22241, 12.50133, 7.36105, 9.98397, 12.76417, 6.99598, 10.75007, 8.15146, 6.61373, 9.27329, 10.54708, 10.21331, 12.93336, 11.75356, 7.87773, 11.56489, 7.23437, 7.23547, 8.82836, 11.78602, 8.69743, 9.97627, 13.6061, 6.81131, 9.27558, 8.03525, 9.62966, 11.10224, 13.22159, 9.74596, 12.97245, 8.18169, 10.40298, 13.73804, 9.31824, 6.74331, 8.58245, 9.39907, 8.96286, 10.78314, 6.39392, 11.5326, 12.51863, 11.74858, 8.04341, 7.74615, 11.81732, 10.97301, 10.6808, 13.21529, 11.76228, 13.08086, 9.35838, 10.74526, 12.2452, 7.41191, 9.62824, 8.78384, 13.37143, 8.09135, 8.63963, 7.49809, 7.44236, 7.22214, 9.34145, 10.41666, 11.20041, 6.6297, 11.91467, 11.37833, 12.48107, 9.05382, 9.32423, 6.77819, 12.51431, 12.80178, 10.61431, 9.27888, 7.74705, 12.58781, 8.12511, 6.74016, 10.68124, 11.08891, 9.20029, 13.56738, 12.1172, 12.50478, 8.01599, 8.44702, 7.50161, 8.24704, 10.38837, 8.87491, 6.78488, 13.24438, 11.45643, 10.57695, 11.35283, 10.00518, 6.43398, 9.61151, 6.47227, 10.64196, 13.20158, 10.78716, 11.95299, 10.23649, 6.73036, 11.98479, 12.00991, 8.52725, 12.60808, 13.04928, 11.24569, 8.04094, 9.75799, 7.06143, 8.25256, 10.73921, 7.75721, 7.51986, 13.38009, 10.74795, 9.44037, 13.18767, 9.20827, 11.95197, 11.73178, 7.19936, 11.96016, 12.49219, 10.00818, 7.39405, 10.38563, 6.25533, 9.38648, 13.04512, 8.76468, 8.05002, 13.14469, 8.58788, 10.56604, 11.76715, 6.91424, 9.42446, 12.29223, 7.40795, 10.56145, 12.12774, 7.47944, 8.04831, 13.37485, 9.29198, 9.43662]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00012602855226983474, 0.00010603075703050478, 0.00011174173788068796, -2.50159685765401e-05, -1.6583689747471815e-05, 5.548701612910217e-06]]},
 "unique_id": "c3ca72020c9820586e2bccea0e4c417d",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}