{"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": 20.63555015293217,
 "energy": -650.51866254,
 "forces": {"__ndarray__": [[96, 3], "float64", [0.003004, -0.00285, -0.013685, 3.7e-05, 0.004686, -0.01518, 0.010806, -0.00917, 0.003658, 0.005647, 0.009038, 0.008282, 0.009462, -0.011264, 0.007587, -0.010187, 0.004396, -0.008024, 0.001279, 0.000721, 0.01243, -0.0153, 0.00425, 0.003693, -0.015829, -0.004779, -0.001779, 0.014243, -0.00533, -0.009657, 0.005488, -0.009695, -0.007758, -0.001397, 0.006118, -0.006593, -0.001279, 0.000721, -0.01243, -0.005647, 0.009038, -0.008282, 0.002231, -0.001035, 0.008051, -3.7e-05, 0.004686, 0.01518, -0.001103, 0.01504, -0.006876, 0.001397, 0.006118, 0.006593, 0.0153, 0.00425, -0.003693, 0.00072, 0.002819, -0.008834, -0.003004, -0.00285, 0.013685, 0.009783, -0.003196, -0.002202, -0.017406, -0.001411, -0.004763, -0.00072, 0.002819, 0.008834, 0.012836, 0.001547, 0.000422, -0.010806, -0.00917, -0.003658, -0.014243, -0.00533, 0.009657, -0.009783, -0.003196, 0.002202, -0.005488, -0.009695, 0.007758, -0.012836, 0.001547, -0.000422, -0.009462, -0.011264, -0.007587, 0.015829, -0.004779, 0.001779, 0.017406, -0.001411, 0.004763, 0.001103, 0.01504, 0.006876, -0.002231, -0.001035, -0.008051, 0.010187, 0.004396, 0.008024, -0.013487, -0.025817, 0.00522, -0.004365, 0.008668, -0.004003, 0.005648, 0.021395, -0.012583, 0.016022, -0.01583, 0.003455, -0.001062, 0.022763, -0.002323, -0.006103, 0.021459, -0.005338, -0.002472, 0.001946, 0.00798, -0.00334, -0.003343, 0.005757, 0.012845, -0.009649, 0.007911, -0.00785, -0.016111, 0.014439, 0.006379, -0.000806, -0.014149, 0.014024, 0.00064, 0.00111, 0.001206, -0.00656, -0.012108, 0.005319, 0.013065, 0.005572, -0.002298, 0.003776, -0.007596, 0.011653, -0.002949, -0.01084, -0.000518, -0.003741, 0.021331, -0.008083, -0.023299, 0.012478, -0.001206, -0.00656, 0.012108, 0.002472, 0.001946, -0.00798, 0.005497, 0.000658, 0.004471, -0.005667, -0.000468, -0.001149, 0.00334, -0.003343, -0.005757, 0.000416, -0.007859, 0.009062, 0.005667, -0.000468, 0.001149, 0.001062, 0.022763, 0.002323, -0.012845, -0.009649, -0.007911, -0.007494, 0.005854, -0.010458, -0.004084, 0.007859, -0.00023, 0.004487, 0.012656, 0.001857, 0.008083, -0.023299, -0.012478, -0.005319, 0.013065, -0.005572, 0.020191, -0.000575, 0.001361, -0.016022, -0.01583, -0.003455, -0.010048, 0.00735, -0.004177, -0.015475, 0.003484, 0.013571, -0.020191, -0.000575, -0.001361, 0.013487, -0.025817, -0.00522, -0.016551, -0.004526, 0.002829, 0.007494, 0.005854, 0.010458, 0.006103, 0.021459, 0.005338, -0.011653, -0.002949, 0.01084, 0.021327, -0.001154, -0.000843, -0.006379, -0.000806, 0.014149, 0.015011, -0.00877, 0.002374, 0.004084, 0.007859, 0.00023, -0.005648, 0.021395, 0.012583, -0.015011, -0.00877, -0.002374, 0.010048, 0.00735, 0.004177, 0.004365, 0.008668, 0.004003, 0.000518, -0.003741, -0.021331, 0.016551, -0.004526, -0.002829, 0.00785, -0.016111, -0.014439, -0.021327, -0.001154, 0.000843, 0.002298, 0.003776, 0.007596, -0.005497, 0.000658, -0.004471, 0.015475, 0.003484, -0.013571, -0.004487, 0.012656, -0.001857, -0.000416, -0.007859, -0.009062, -0.014024, 0.00064, -0.00111]]},
 "free_energy": -650.51870249,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.58279512794824,
 "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", [6.86, 13.69554, 8.95439, 7.4576, 14.1085, 11.04964, 5.46769, 11.80605, 9.18686, 9.50696, 14.90149, 10.94442, 6.5446, 10.24784, 13.52893, 5.36773, 8.98548, 10.45685, 10.61022, 13.93488, 12.61282, 7.45987, 11.99188, 6.35981, 5.96774, 8.38412, 12.51117, 8.37628, 9.76474, 14.68258, 5.86483, 9.17092, 7.58119, 9.58257, 11.78893, 14.59271, 9.38978, 13.93488, 7.38718, 10.49304, 14.90149, 9.05558, 7.28234, 6.71153, 12.64287, 12.5424, 14.1085, 8.95036, 6.53446, 6.54064, 9.20395, 10.41743, 11.78893, 5.40729, 12.54013, 11.99188, 13.64019, 8.60325, 8.84, 5.49075, 13.14, 13.69554, 11.04561, 9.21475, 7.07674, 13.68145, 7.80015, 5.64348, 10.78944, 11.39675, 8.84, 14.50925, 7.92927, 6.40586, 7.30687, 14.53231, 11.80605, 10.81314, 11.62372, 9.76474, 5.31742, 10.78525, 7.07674, 6.31855, 14.13517, 9.17092, 12.41881, 12.07073, 6.40586, 12.69313, 13.4554, 10.24784, 6.47107, 14.03226, 8.38412, 7.48883, 12.19985, 5.64348, 9.21056, 13.46554, 6.54064, 10.79605, 12.71766, 6.71153, 7.35713, 14.63227, 8.98548, 9.54315, 8.12285, 12.24193, 11.76302, 6.66306, 10.72167, 10.61264, 7.27827, 11.0976, 11.74698, 7.44917, 12.82804, 9.33873, 8.09529, 13.28718, 10.6799, 6.54539, 11.55861, 9.3623, 9.58892, 13.84182, 10.67006, 8.46046, 12.38991, 8.3497, 9.23366, 12.2583, 12.51976, 7.34397, 10.0251, 12.80127, 7.14754, 10.76349, 8.24353, 6.45564, 9.22873, 10.60253, 10.27991, 13.14048, 11.88885, 7.97208, 11.508, 7.25536, 6.89106, 8.71308, 12.01732, 8.6648, 9.99434, 13.62773, 6.87334, 9.29368, 8.09859, 9.56928, 11.26362, 13.60452, 9.72009, 13.14048, 8.11115, 10.41108, 13.84182, 9.32994, 7.08105, 8.61229, 9.40465, 9.10433, 10.66055, 6.74739, 11.53954, 12.38991, 11.6503, 7.81832, 7.44235, 12.02323, 10.89567, 10.66055, 13.25261, 11.90471, 13.28718, 9.3201, 10.76634, 12.2583, 7.48024, 9.62746, 8.99676, 13.10904, 8.0558, 8.5782, 7.55203, 7.44117, 7.17778, 9.34575, 10.43072, 11.26362, 6.39548, 12.02792, 11.508, 12.74464, 8.94734, 9.20038, 6.51611, 12.55083, 12.82804, 10.66127, 9.21938, 7.62805, 12.70118, 8.12981, 6.6877, 10.65416, 11.05266, 9.20038, 13.48389, 11.87715, 12.24193, 8.23698, 8.2842, 7.17806, 8.03531, 10.37254, 8.99676, 6.89096, 13.45461, 11.55861, 10.6377, 11.3352, 9.99434, 6.37227, 9.63389, 6.66227, 10.60946, 12.85246, 10.76349, 11.75647, 10.22853, 7.02082, 11.7604, 11.9442, 8.5782, 12.44797, 12.72173, 11.0976, 8.25302, 9.77147, 7.02082, 8.2396, 10.78062, 7.62805, 7.29882, 13.33694, 10.72167, 9.38736, 13.12666, 9.29368, 11.90141, 11.7158, 7.17806, 11.96469, 12.65603, 10.0251, 7.19873, 10.36611, 6.66227, 9.39054, 13.10894, 8.71308, 7.98268, 12.91895, 8.61229, 10.59535, 11.87019, 6.6877, 9.34584, 12.55883, 7.17778, 10.65425, 12.18168, 7.44235, 7.97677, 13.54436, 9.22873, 9.39747]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00011900685450321609, 9.124462191128734e-05, 0.0001302540539480577, -0.0, 2.2400776252795013e-05, -0.0]]},
 "unique_id": "9330cb65d76d0122503798d4e061cdda",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}