{"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": 20.636156556953008,
 "energy": -619.46004653,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.004143, -0.001984, 0.005834, -0.00436, -0.001679, -0.000164, 0.000595, -0.000819, 0.007118, -0.002161, -0.003341, -0.002435, 0.007651, -0.001581, 0.000885, 0.001949, -0.002318, -0.007362, -0.000627, 0.003849, 0.00012, 0.002881, 0.000912, -0.005412, 0.007731, 0.000789, 0.001695, 0.001624, 0.006404, 0.002347, 0.002776, -0.003027, 0.001466, 0.001631, -0.001632, 0.002712, -0.002776, 0.003027, -0.001466, -0.001631, 0.001632, -0.002712, -0.001624, -0.006404, -0.002347, 0.000627, -0.003849, -0.00012, -0.007731, -0.000789, -0.001695, -0.002881, -0.000912, 0.005412, -0.001949, 0.002318, 0.007362, -0.007651, 0.001581, -0.000885, -0.000595, 0.000819, -0.007118, 0.002161, 0.003341, 0.002435, -0.004143, 0.001984, -0.005834, 0.00436, 0.001679, 0.000164, 0.000612, 0.008318, -0.000544, 0.000428, -0.0002, 0.011348, 0.001058, 0.000212, -0.003781, 0.011528, 0.005443, 0.017441, -0.002104, -0.007035, -0.017266, 0.00058, 0.0049, -0.004547, -0.00151, 0.003103, 0.003192, -0.002127, 0.004977, -0.000285, -0.001923, -0.005595, -0.001986, -0.002139, -0.006525, -8.5e-05, 0.004343, -0.003172, 0.00278, 0.004105, -0.008626, 0.005574, 0.007445, -0.004727, -0.004345, 0.00404, -0.001109, 0.002951, -0.006017, 0.004007, 0.000495, 0.001448, 0.002229, -6e-05, 0.008021, 0.007103, 8.4e-05, 0.008105, -8.8e-05, -0.009326, 0.009359, -0.000649, 0.004786, 0.004412, -0.001992, -0.009427, 0.001149, 0.000241, 0.001068, -0.002323, -0.00412, 0.007252, -0.00526, -0.00784, 0.002378, 0.007003, -0.005842, 0.000698, 0.003299, 0.002202, -0.013862, 0.010185, -0.004921, -0.0047, 0.00909, -0.005066, -0.003303, 0.00457, -0.000655, -0.004823, 0.014871, 0.004102, 0.002806, 0.002545, 0.003245, 0.001756, -0.00457, 0.000655, 0.004823, -0.014871, -0.004102, -0.002806, -0.003299, -0.002202, 0.013862, -0.002545, -0.003245, -0.001756, -0.00909, 0.005066, 0.003303, -0.010185, 0.004921, 0.0047, 0.002323, 0.00412, -0.007252, -0.007003, 0.005842, -0.000698, 0.00526, 0.00784, -0.002378, -0.008105, 8.8e-05, 0.009326, -0.001149, -0.000241, -0.001068, -0.001448, -0.002229, 6e-05, -0.004412, 0.001992, 0.009427, -0.008021, -0.007103, -8.4e-05, -0.009359, 0.000649, -0.004786, -0.00404, 0.001109, -0.002951, 0.006017, -0.004007, -0.000495, -0.007445, 0.004727, 0.004345, 0.001923, 0.005595, 0.001986, -0.004105, 0.008626, -0.005574, -0.004343, 0.003172, -0.00278, 0.002127, -0.004977, 0.000285, 0.002139, 0.006525, 8.5e-05, 0.00151, -0.003103, -0.003192, -0.001058, -0.000212, 0.003781, -0.00058, -0.0049, 0.004547, 0.002104, 0.007035, 0.017266, -0.011528, -0.005443, -0.017441, -0.000612, -0.008318, 0.000544, -0.000428, 0.0002, -0.011348]]},
 "free_energy": -619.52386223,
 "key_value_pairs": {"perms_num": 8},
 "mtime": 25.58670166921813,
 "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", [7.37989, 13.3568, 12.5038, 5.12892, 10.86453, 10.79832, 6.08597, 11.56018, 12.71399, 5.63404, 12.08776, 9.01046, 9.36342, 14.7972, 10.9888, 7.61825, 13.52789, 7.49595, 8.21015, 10.13299, 14.63072, 9.72634, 14.20373, 7.28649, 10.68386, 14.89928, 9.20163, 5.47354, 8.14599, 9.15466, 9.57359, 8.25757, 14.63022, 6.83561, 6.27012, 9.15318, 10.42641, 11.74243, 5.36978, 13.16439, 13.72988, 10.84682, 14.52646, 11.85401, 10.84534, 11.78985, 9.86701, 5.36928, 9.31614, 5.10072, 10.79837, 10.27366, 5.79627, 12.71351, 12.38175, 6.47211, 12.50405, 10.63658, 5.2028, 9.0112, 13.91403, 8.43982, 7.28601, 14.36596, 7.91224, 10.98954, 12.62011, 6.6432, 7.4962, 14.87108, 9.13547, 9.20168, 7.85664, 12.52264, 11.95423, 6.22251, 10.78705, 10.66372, 6.90231, 11.28083, 12.02443, 7.67903, 12.60062, 9.43412, 8.24481, 13.01058, 10.56606, 6.55565, 11.57805, 9.35068, 9.56476, 13.76308, 10.64914, 8.26407, 12.81738, 8.04655, 9.24633, 12.25121, 12.51592, 7.60682, 10.04098, 12.54551, 7.10859, 10.69755, 8.23756, 6.62117, 9.32542, 10.57413, 10.23119, 12.96613, 11.76318, 8.09335, 11.4119, 7.48528, 7.39798, 8.99607, 11.66756, 8.64691, 10.00641, 13.62003, 7.07536, 9.31711, 8.22736, 9.59575, 11.14839, 13.27095, 9.74034, 13.3411, 7.97614, 10.4205, 13.83512, 9.33682, 6.51699, 8.45989, 9.35844, 9.03405, 10.73869, 6.73041, 11.55432, 12.56931, 11.77262, 8.23964, 7.8362, 11.66675, 10.93177, 10.67699, 13.20346, 11.68757, 13.00373, 9.427, 10.70212, 12.28825, 7.45505, 9.58715, 8.71187, 13.61951, 8.09929, 8.62001, 7.53774, 7.45675, 7.16503, 9.35751, 10.41285, 11.28813, 6.38049, 11.90071, 11.37999, 12.46226, 9.06823, 9.32301, 6.79654, 12.54325, 12.83497, 10.64249, 9.29788, 7.71175, 12.54495, 8.31243, 6.99627, 10.573, 10.96595, 9.26131, 13.26959, 11.76036, 12.1638, 8.33325, 8.44568, 7.43069, 8.22738, 10.40425, 8.85161, 6.72905, 13.48301, 11.54011, 10.64156, 11.35309, 9.99359, 6.37997, 9.5795, 6.16488, 10.66318, 12.92464, 10.68289, 11.77264, 10.25966, 6.6589, 12.02386, 11.90665, 8.5881, 12.51472, 12.60202, 11.00393, 8.33244, 9.76881, 7.03387, 8.23682, 10.75367, 7.74879, 7.48408, 13.37883, 10.67458, 9.42587, 12.89141, 9.30245, 11.76244, 11.73593, 7.18262, 11.95345, 12.39318, 9.95902, 7.45449, 10.43524, 6.23692, 9.35086, 13.09769, 8.71917, 7.97557, 13.44435, 8.42195, 10.64932, 11.75519, 6.98942, 9.43394, 12.32097, 7.39938, 10.56588, 12.14336, 7.47736, 8.04577, 13.77749, 9.21295, 9.33628]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00011619817539656862, 0.00010232330060973014, 0.0001304475407309601, 1.4411644571664442e-05, 7.240150586024579e-06, -3.386642851704256e-05]]},
 "unique_id": "25dc26470787d66d2ce5abcba3467c3a",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}