{"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": 20.63555347003076,
 "energy": -651.02304646,
 "forces": {"__ndarray__": [[96, 3], "float64", [-0.001295, -0.019299, -0.005809, 0.015437, -0.003269, 0.013191, 0.013283, 0.002756, -0.014035, -0.008822, 0.006487, -0.007715, -0.002653, 0.010087, 0.005948, -0.011336, 0.000652, 0.004638, -0.005346, 0.004975, -0.005216, -0.006817, -0.002502, 0.003291, -0.000486, 0.009067, 0.003789, -0.014787, 0.000862, 0.00473, -0.010768, 0.0052, -0.005952, -0.000574, -0.001191, -0.000124, 0.001458, -0.001267, -0.002439, -0.004254, 0.012461, 0.004698, -0.003447, -0.003205, -0.000812, -0.003738, -0.001067, -0.005867, 0.001937, 0.007657, 0.002323, -0.003385, -0.000979, 0.005898, -0.000254, -0.005235, 0.002995, 0.006756, 0.005685, -0.003129, -0.001396, -0.004776, -0.008266, 0.004287, -0.013187, -0.01038, 0.01091, 0.001132, -0.00367, -0.002477, 0.00175, 0.005321, -0.005011, 0.000673, -0.000497, -0.003806, -0.000295, 0.000392, 0.007401, -0.010291, 0.007785, -0.00113, -0.006226, -0.005158, 0.000772, -0.004047, 0.005457, 0.005915, 0.0024, -0.003041, 0.00716, -0.005132, 0.008713, 0.011534, -5.9e-05, -0.007079, 0.001958, -0.012324, -0.004643, -0.000354, 0.011466, 0.015914, -0.016382, -0.005397, 0.004212, -0.004516, 0.010927, -0.01446, 0.009776, 0.013332, 0.004521, -0.00967, -0.01398, 0.011338, -0.019988, -0.00442, 0.017762, -0.00599, 0.002637, -0.023359, -0.001144, 0.02528, 0.016941, -0.013935, 0.007108, -0.022828, 0.010818, -0.014205, -0.00522, 0.004364, -0.002797, 0.005885, 0.003989, -0.006042, 0.000177, 0.018113, -0.005203, -0.009439, 0.008979, -0.001453, 0.004149, 0.002313, 9.3e-05, -0.00461, -0.009122, 0.008622, -0.002625, -0.013284, -0.001292, 0.009259, -0.003931, 0.011531, 0.007194, 0.009448, -0.009387, -0.010828, 0.010286, -0.005657, -0.000512, -0.006229, 0.012962, 0.007953, -0.007138, 0.008852, -0.004172, 0.005329, -0.012553, 0.00051, -0.012665, 0.003875, -0.000315, 0.007896, 0.00484, 0.001271, 0.006108, -0.008359, 0.003526, -0.001598, -0.004953, -0.010016, -0.009209, -0.007572, 0.000186, 0.00693, -0.015961, 0.011643, 0.003625, 0.010995, 0.012336, 0.004544, 0.008489, -0.008894, -0.000347, 0.001722, 0.008564, 0.002352, 0.006647, -0.0003, -0.008707, -0.016834, -0.002282, 0.00313, 0.00344, -0.009541, 0.005911, 0.003892, 0.003988, -0.011995, -0.003092, -0.00926, 0.002002, 0.00564, -0.004473, 0.005769, 0.002196, 0.002024, -0.003361, 0.008568, 0.002505, -0.012399, 0.000115, -0.001743, -0.0033, -0.003457, 0.004486, -0.00907, 0.004851, 0.015551, -0.013822, -0.000703, -0.001398, 0.010825, -0.004804, -0.01446, 0.006466, -0.00774, -0.000767, 0.014846, -0.001137, 0.003422, -0.003871, 0.012796, -0.001029, 0.001085, -0.014511, -0.005842, 0.019006, -0.004784, 0.006233, 0.016182, 0.001996, -0.00775, -0.01923, 0.016888, 0.003626, -0.020582, 0.001414, 0.008951, 0.000725, 0.004221, 0.000184, -0.0099, 0.009784, -0.008508, -0.001136, -0.002935, 0.005965, 0.002688, 0.006012, 0.001428, 0.013013, 0.014522, -0.006915, 0.005369, -0.007149, 0.014835, -0.018402, -0.015771, -0.009953, 0.014799, -0.00778, 0.022427, 0.009327, -0.024729, -0.010108, 0.02824, 0.011451, -0.012697]]},
 "free_energy": -651.0231391,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.083155651338576,
 "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", [6.20633, 11.73566, 12.58959, 7.54155, 14.19926, 10.67362, 5.51579, 11.86342, 9.26788, 7.68158, 13.72562, 7.58012, 8.75349, 13.24324, 13.60952, 5.12435, 9.16051, 10.80042, 10.31016, 14.36926, 12.32302, 7.06561, 11.8114, 6.43875, 6.16177, 8.51418, 12.76271, 8.09548, 9.90516, 14.38374, 6.0267, 9.31528, 7.4297, 9.65388, 11.51465, 14.64441, 9.84122, 14.13383, 7.37593, 10.44308, 14.73069, 9.4667, 5.68611, 7.85253, 9.11335, 8.81749, 10.92923, 5.36922, 12.33238, 13.44256, 12.53441, 7.3992, 6.68379, 12.43757, 11.25044, 9.16259, 14.63155, 12.55291, 13.28069, 7.46619, 7.64966, 6.50125, 7.56072, 10.49852, 8.1588, 5.6175, 14.36195, 11.88288, 10.53346, 11.5485, 10.13786, 5.35546, 9.2896, 5.23524, 10.88609, 13.98102, 11.12682, 12.62438, 10.57504, 6.01057, 12.56861, 12.6289, 7.76832, 13.55948, 14.05886, 11.64527, 7.67908, 9.77421, 5.89033, 7.23688, 14.25909, 8.94695, 12.42218, 13.47091, 9.81819, 6.39048, 10.70903, 5.10432, 9.20093, 13.15632, 6.31214, 10.73263, 12.82294, 6.92586, 7.41116, 14.75707, 8.96177, 9.32481, 8.1272, 12.29819, 11.77089, 6.67146, 10.66014, 10.64335, 7.03397, 11.28332, 11.94941, 7.6971, 12.49271, 9.35321, 8.11991, 13.22007, 10.59787, 6.58707, 11.49638, 9.39859, 9.59725, 13.24213, 10.63008, 8.22319, 12.84412, 8.00003, 9.15616, 12.5625, 12.82126, 7.65993, 10.01024, 12.36216, 7.23848, 10.74739, 8.30417, 6.23239, 9.23293, 10.68359, 10.23239, 13.31029, 11.97734, 7.83646, 11.55922, 7.20644, 6.93301, 8.76221, 11.99389, 8.68322, 10.0031, 13.43831, 6.92127, 9.3117, 8.09934, 9.61428, 11.26322, 13.56972, 9.73992, 13.24045, 8.01713, 10.35939, 13.61773, 9.41231, 6.57816, 8.45057, 9.3699, 8.95877, 10.77303, 6.45742, 11.6901, 12.74998, 11.95453, 7.89616, 7.53534, 11.93081, 10.95978, 10.70795, 13.18756, 11.72938, 12.96477, 9.42846, 10.70866, 12.20662, 7.50756, 9.62735, 8.82853, 13.25728, 8.09347, 8.60361, 7.44405, 7.74887, 7.50639, 9.44073, 10.37746, 11.1315, 6.81239, 11.88026, 11.35629, 12.49347, 9.00166, 9.28402, 6.74403, 12.28461, 12.5611, 10.5719, 9.26038, 7.75593, 12.55525, 8.32356, 7.0904, 10.55744, 11.05729, 9.24805, 13.54337, 12.09229, 12.45638, 8.04644, 8.3051, 7.23729, 8.06785, 10.41065, 8.74878, 6.5623, 13.32917, 11.45948, 10.588, 11.32166, 10.02342, 6.43039, 9.5826, 6.26856, 10.62913, 13.16217, 10.75465, 11.98347, 10.29503, 6.86052, 11.89917, 12.15066, 8.42477, 12.79254, 13.07533, 11.24327, 8.02356, 9.77073, 6.7006, 8.00542, 10.73399, 7.77765, 7.63783, 13.20839, 10.61809, 9.3705, 13.25395, 9.18958, 12.00056, 11.56233, 7.60557, 11.69528, 12.69872, 9.98932, 7.17842, 10.4349, 6.1804, 9.31667, 12.76667, 8.92819, 8.22874, 13.08534, 8.58067, 10.64694, 11.65689, 7.03933, 9.35664, 12.47716, 7.21848, 10.60154, 12.13798, 7.57491, 8.05047, 13.64699, 9.20647, 9.40126]]},
 "stress": {"__ndarray__": [[6], "float64", [9.33168029410806e-05, 8.758085605439389e-05, 9.10386521101332e-05, -1.0298490057707376e-05, 1.7863199118277884e-05, 5.19293559273487e-06]]},
 "unique_id": "a7d97d7182e4f62c13cd973a98e08a98",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}