{"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": 20.636175703202188,
 "energy": -594.24644886,
 "forces": {"__ndarray__": [[78, 3], "float64", [-0.008813, 7.9e-05, 0.000301, 0.003708, -0.001557, -0.008741, -0.001493, -0.001188, -0.004172, 0.00725, -0.002219, -0.000371, -0.002319, 0.003333, -0.011821, -0.002554, 0.002494, -0.004767, -0.00018, 0.002989, -0.002882, 0.002072, -0.004225, -0.003649, 0.005412, 0.000665, 0.001448, -0.005412, -0.000665, -0.001448, -0.002072, 0.004225, 0.003649, 0.00018, -0.002989, 0.002882, 0.002319, -0.003333, 0.011821, 0.002554, -0.002494, 0.004767, -0.00725, 0.002219, 0.000371, 0.001493, 0.001188, 0.004172, 0.008813, -7.9e-05, -0.000301, -0.003708, 0.001557, 0.008741, 0.001948, -0.005818, -0.00621, -0.001762, 0.004981, -0.007402, 0.00443, -0.005365, -0.001638, 0.004254, -0.00125, -0.000727, 0.005918, 0.002586, -0.004517, -0.005664, -0.003033, -0.000639, -0.000909, 0.002965, -0.000863, 0.002274, 0.005417, -0.00137, -0.000652, 0.00047, 0.002405, -0.008731, 0.001374, -0.008584, 0.003481, 0.001424, -0.000154, 0.001536, -0.006906, 0.002179, 0.009084, -6.4e-05, -0.00306, 0.00609, 0.001725, -0.007775, -0.001145, 0.005833, -0.005915, -0.005524, 0.00174, 0.010908, 0.007582, -0.002888, 0.009589, 0.00063, 0.002777, -0.002826, -0.002503, -0.006107, -0.005946, -0.007633, 0.001829, 0.002272, -0.000192, 0.003736, -0.001347, 0.001772, 0.002522, -0.000147, -0.004678, 0.004104, 0.007538, -0.008386, 0.000799, -0.002829, 0.002595, 0.004096, 0.002251, 0.003635, 0.000634, -0.004841, -0.004144, -0.000631, 0.004949, 0.007651, -0.001217, 0.000126, 0.007652, -0.004644, -0.006403, -0.004839, -0.003302, 0.004494, -0.007651, 0.001217, -0.000126, -0.007652, 0.004644, 0.006403, -0.002595, -0.004096, -0.002251, 0.004839, 0.003302, -0.004494, 0.004144, 0.000631, -0.004949, -0.003635, -0.000634, 0.004841, -0.001772, -0.002522, 0.000147, 0.008386, -0.000799, 0.002829, 0.004678, -0.004104, -0.007538, -0.00063, -0.002777, 0.002826, 0.000192, -0.003736, 0.001347, 0.005524, -0.00174, -0.010908, 0.007633, -0.001829, -0.002272, -0.007582, 0.002888, -0.009589, 0.002503, 0.006107, 0.005946, -0.00609, -0.001725, 0.007775, 0.001145, -0.005833, 0.005915, -0.009084, 6.4e-05, 0.00306, 0.000652, -0.00047, -0.002405, -0.001536, 0.006906, -0.002179, -0.003481, -0.001424, 0.000154, -0.002274, -0.005417, 0.00137, 0.008731, -0.001374, 0.008584, 0.000909, -0.002965, 0.000863, -0.00443, 0.005365, 0.001638, 0.005664, 0.003033, 0.000639, -0.005918, -0.002586, 0.004517, -0.004254, 0.00125, 0.000727, -0.001948, 0.005818, 0.00621, 0.001762, -0.004981, 0.007402]]},
 "free_energy": -594.55272439,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.219641731919523,
 "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", [7.20338, 13.17219, 12.66036, 5.31125, 11.00455, 10.78798, 7.62409, 14.28415, 10.68975, 7.33687, 11.93945, 6.43076, 8.28238, 10.00525, 14.54598, 5.77443, 9.07558, 7.50132, 7.1246, 6.79396, 12.43363, 10.94825, 13.22935, 6.30908, 7.39645, 7.92896, 6.33919, 12.60355, 12.07104, 13.66081, 9.05175, 6.77065, 13.69092, 12.8754, 13.20604, 7.56637, 11.71762, 9.99475, 5.45402, 14.22557, 10.92442, 12.49868, 12.66313, 8.06055, 13.56924, 12.37591, 5.71585, 9.31025, 12.79662, 6.82781, 7.33964, 14.68875, 8.99545, 9.21202, 7.8413, 12.52731, 12.02674, 6.38018, 10.74923, 10.64212, 7.22192, 11.16692, 11.8341, 7.70995, 12.55102, 9.41123, 8.118, 13.2935, 10.65383, 6.92209, 11.35986, 9.39049, 9.63365, 13.44341, 10.6108, 8.44073, 12.61302, 8.19762, 9.23843, 12.34919, 12.63896, 7.64498, 10.02801, 12.48057, 7.04857, 10.68636, 8.19682, 6.59507, 9.24124, 10.58942, 10.23161, 12.97835, 11.7971, 7.92048, 11.51826, 7.27399, 7.2455, 8.84587, 11.78564, 8.71296, 10.0078, 13.52418, 6.74185, 9.2225, 8.01795, 9.63766, 11.19999, 13.30834, 9.7439, 13.08834, 8.1394, 10.36449, 13.41665, 9.40415, 6.74734, 8.54542, 9.3975, 9.07541, 10.70559, 6.78647, 11.58272, 12.57117, 11.80032, 7.8588, 7.48542, 11.97561, 10.97134, 10.7208, 13.26069, 11.7121, 13.01126, 9.39953, 10.79783, 12.54248, 7.16369, 9.63507, 8.82304, 13.30327, 7.8683, 8.44024, 7.20109, 7.69524, 7.45325, 9.40751, 10.36493, 11.17696, 6.69673, 12.1317, 11.55976, 12.79891, 9.02866, 9.2792, 6.73931, 12.30476, 12.54675, 10.59249, 9.20217, 7.45752, 12.83631, 8.2879, 6.98874, 10.60047, 10.92459, 9.29441, 13.21353, 12.1412, 12.51458, 8.02439, 8.41728, 7.42883, 8.19968, 10.36234, 8.80001, 6.69166, 13.25266, 11.45458, 10.6025, 11.28704, 9.9922, 6.47582, 9.63551, 6.58335, 10.59585, 13.25815, 10.7775, 11.98205, 10.2561, 6.91166, 11.8606, 12.07952, 8.48174, 12.72601, 12.7545, 11.15413, 8.21436, 9.76839, 7.02165, 8.2029, 10.76157, 7.65081, 7.36104, 13.40493, 10.75876, 9.41058, 12.95143, 9.31364, 11.80318, 11.55927, 7.38698, 11.80238, 12.35502, 9.97199, 7.51943, 10.36635, 6.55659, 9.3892, 12.77808, 8.83308, 8.1659, 13.07791, 8.64014, 10.60951, 11.882, 6.7065, 9.34617, 12.29005, 7.44898, 10.58877, 12.1587, 7.47269, 7.97326, 13.61982, 9.25077, 9.35788]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00011794579795181593, 0.00010009508185178983, 0.00011740278665786408, -3.189411163326345e-06, -1.745750102509547e-05, -4.056980931824117e-06]]},
 "unique_id": "ee32455831d29097bbe72c4fa0fd67bf",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}