{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [18.205620514, 0.319561046, 0.043861913, 0.319486095, 18.419271769, -0.12687935, 0.044042108, -0.127004474, 18.254605388]]},
 "ctime": 20.602645930259747,
 "energy": -595.72036793,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.049407, 0.023504, -0.015618, -0.082626, -0.000919, 0.028044, 0.164161, -0.117341, 0.049442, 0.030151, 0.081837, -0.036402, 0.139613, -0.048403, 0.189467, -0.048001, -0.035748, -0.048943, 0.028257, 0.039185, 0.075392, 0.002473, 0.051203, 0.04277, -0.080257, 0.027586, 0.029918, 0.083392, 0.054093, -0.259448, 0.154987, 0.044128, 0.096886, 0.092061, 0.045483, -0.044128, 0.017492, 0.157302, 0.207404, -0.07614, -0.086872, 0.039846, -0.012223, -0.163101, -0.005576, -0.008076, 0.049256, 0.00905, -0.110764, 0.06003, 0.029543, -0.054097, 0.02078, -0.000861, 0.237899, 0.034108, 0.157306, 0.205244, -0.037064, -0.029177, -0.231923, -0.058544, -0.127608, -0.104936, 0.213227, -0.331701, -0.159457, -0.056175, 0.324053, -0.141357, -0.070367, 0.154179, 0.276474, 0.102826, 0.012941, 0.029557, 0.093962, 0.098481, -0.214455, -0.081754, 0.055222, 0.06703, -0.145055, 0.082965, 0.242138, 0.059722, -0.227736, -0.172651, 0.096371, -0.22101, -0.135583, 0.191928, -0.397751, -0.343551, -0.223393, 0.201744, 0.118468, 0.200538, 0.125165, -0.054476, -0.084198, 0.082654, -0.134503, 0.020504, -0.166412, 0.036313, 0.012163, -0.122373, 0.26154, 0.03573, 0.040539, 0.02239, -0.046515, 0.133653, 0.086522, -0.138445, -0.022147, 0.106711, -0.065107, 0.152127, 0.129439, -0.201551, -0.089295, 0.313568, 0.199235, 0.243764, -0.111731, -0.14505, 0.031992, -0.05046, 0.043797, -0.050911, -0.021283, 0.009195, 0.008343, -0.166911, -0.17606, -0.05838, -0.221908, -0.169616, 0.066022, -0.073952, -0.026214, -0.253624, 0.014141, -0.374969, 0.165401, -0.029994, 0.068965, -0.118362, 0.060499, 0.089341, -0.163195, 0.094737, 0.003684, 0.03267, -0.114985, -0.02949, 0.021188, -0.097664, -0.196082, -0.036077, 0.003211, 0.140329, -0.09389, -0.199828, 0.059604, 0.030573, 0.196704, 0.208976, 0.101833, -0.042497, -0.136119, -0.247493, 0.0169, 0.171596, 0.032123, -0.091787, 0.166954, 0.002506, 0.001724, 0.060181, 0.377715, -0.093494, 0.035551, 0.010787, 0.165186, 0.260127, -0.173505, 0.136317, -0.066179, -0.095171, 0.290875, -0.080685, 0.543757, 0.08403, 0.187622, -0.289392, -0.15122, -0.058802, -0.098406, -0.126038, 0.190755, -0.24128, -0.076454, 0.068663, 0.027496, -0.307831, -0.288229, 0.090626, -0.157325, -0.30905, -0.283657, 0.022631, -0.083248, 0.135662, 0.06006, 0.287312, 0.040238, 0.068233, -0.051736, -0.00865, -0.112907, -0.191999, -0.095167, 0.161654, 0.20447, 0.177668, 0.09319, 0.014252, 0.107633, 0.047969, -0.141993, -0.213445]]},
 "free_energy": -595.72037929,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 24.99304992460046,
 "numbers": {"__ndarray__": [[78], "int32", [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__": [[78, 3], "float64", [6.47014, 12.45379, 11.54039, 4.55673, 10.29472, 9.79743, 6.05251, 12.86873, 8.20504, 7.43999, 9.20574, 13.62334, 5.29246, 8.38144, 6.39424, 9.8309, 14.12134, 8.3631, 10.51976, 10.26608, 13.81227, 10.42221, 12.60632, 5.52622, 6.01963, 5.68009, 8.10249, 9.82118, 10.82396, 4.38037, 12.01619, 11.41723, 12.66585, 6.88608, 5.04138, 10.03109, 9.81711, 7.55666, 4.5413, 13.6694, 11.36336, 9.84694, 9.66813, 5.22088, 11.74788, 13.18162, 7.66714, 6.63664, 13.69851, 7.38139, 9.96037, 11.7417, 5.14446, 8.35341, 7.13475, 11.74306, 11.00574, 5.61977, 10.0371, 9.63145, 6.4779, 10.4114, 10.84466, 6.81317, 12.07022, 8.38527, 7.57397, 12.30189, 9.6477, 6.154, 10.69519, 8.39089, 8.87054, 12.67876, 9.67388, 7.78319, 11.92755, 7.19875, 8.49712, 11.57254, 11.71295, 6.85189, 9.31132, 11.53671, 6.43133, 10.00549, 7.26223, 5.85264, 8.51951, 9.56979, 9.50576, 12.27178, 10.93067, 7.43489, 10.71885, 6.46157, 6.48219, 8.09534, 10.81211, 7.90492, 9.30832, 12.62021, 6.16402, 8.53268, 7.07511, 8.82963, 10.51352, 12.48243, 9.04751, 12.39582, 7.19674, 9.67568, 13.02552, 8.43959, 6.03916, 7.83092, 8.42482, 8.34799, 10.01431, 5.72178, 10.82888, 11.91864, 10.93955, 7.27775, 6.98049, 10.88402, 10.28682, 10.11106, 12.74791, 11.0138, 12.2931, 8.50517, 10.14155, 11.84457, 6.27275, 8.87472, 8.16297, 12.36314, 7.41701, 7.87076, 6.51104, 6.73846, 6.46514, 8.39024, 9.74522, 10.54678, 5.43619, 11.3965, 10.90178, 11.92085, 8.34941, 8.5754, 5.80247, 11.55654, 11.89025, 9.69736, 8.50509, 7.05546, 11.64068, 7.40205, 5.98055, 9.75471, 10.23286, 8.61939, 12.44473, 11.28132, 11.62302, 7.25882, 7.72879, 6.67517, 7.25429, 9.74811, 8.02786, 5.55245, 12.68254, 10.8585, 9.75886, 10.59332, 9.28793, 5.70778, 8.9169, 5.75185, 9.7146, 12.28185, 10.05622, 10.99507, 9.53503, 6.08655, 11.07643, 11.19399, 7.98471, 11.70067, 12.03909, 10.4815, 7.26452, 9.04186, 6.28122, 7.3434, 10.07784, 7.02357, 6.6285, 12.62452, 9.9968, 8.52328, 12.2441, 8.70655, 10.98122, 10.84936, 6.82557, 10.89319, 11.7012, 9.30689, 6.48071, 9.64237, 5.80288, 8.58004, 12.28884, 8.05905, 7.16796, 12.69702, 7.84088, 9.79765, 11.15521, 6.07278, 8.52634, 11.59966, 6.77072, 9.76825, 11.2396, 7.0038, 7.31807, 12.67185, 8.64555, 8.53537]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00044799680052852263, 0.0003473150168188998, 0.00028186655212488794, -7.337518128388358e-05, 1.8955463215307454e-05, -0.00014824832475797916]]},
 "unique_id": "27cb9dfc77d36046524eefaf2a00931d",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}