{"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": 20.63616227742086,
 "energy": -618.28490542,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.006671, 0.001663, 0.005986, 0.003952, -0.004879, -0.002478, 0.002679, -0.001415, -0.001971, -0.000917, 0.011532, -0.001215, -0.001255, -0.00472, 0.002593, -0.008863, -0.009867, -0.001559, -0.005267, 0.002736, -0.005187, 0.000318, 0.000384, -0.002245, 0.000411, -0.006908, 0.008217, -0.000123, 0.009535, 0.005521, -0.006477, 0.004247, 0.005666, 0.000712, -5.7e-05, -0.003667, -0.000712, 5.7e-05, 0.003667, 0.006477, -0.004247, -0.005666, 0.000123, -0.009535, -0.005521, -0.000318, -0.000384, 0.002245, -0.000411, 0.006908, -0.008217, 0.005267, -0.002736, 0.005187, 0.008863, 0.009867, 0.001559, 0.001255, 0.00472, -0.002593, 0.000917, -0.011532, 0.001215, -0.002679, 0.001415, 0.001971, -0.006671, -0.001663, -0.005986, -0.003952, 0.004879, 0.002478, 0.001903, -0.015311, -0.013212, -0.008313, -0.015589, 0.007066, -0.005628, 0.002066, -0.002293, -0.006418, -0.009714, 0.005898, 0.000333, 0.002388, -0.009106, 0.002504, -0.002896, -0.00401, 0.001507, -0.012743, 0.023016, 0.019586, -0.015285, 0.000167, -0.021636, -0.022774, 0.018718, -0.002678, 0.002323, -0.007972, -0.001572, -0.002207, -0.005118, 0.013889, 0.002386, -0.010699, 0.012527, -0.002612, -0.016314, 0.004478, 0.010899, 0.00475, 0.004033, -0.006836, -0.007461, 0.005539, 0.003428, 0.009305, 0.012854, 0.006025, -0.00629, 0.001293, -0.001556, -0.025268, -0.018592, -0.011534, -0.012534, -0.008467, -0.005582, 0.000672, -0.005049, 0.006309, 0.005143, 0.001019, -0.001131, 3.1e-05, 0.001432, -0.019525, 0.004967, -0.010363, 0.006005, -0.012717, 0.001535, 0.016252, -0.004392, -0.013438, -0.003304, -0.001886, 0.002612, -0.005986, 0.011873, -0.002934, -0.007525, 0.004854, 0.014511, -0.011702, 0.00446, -0.001704, 0.009186, 0.020903, 0.002934, 0.007525, -0.004854, -0.014511, 0.011702, -0.00446, -0.001535, -0.016252, 0.004392, 0.001704, -0.009186, -0.020903, -0.002612, 0.005986, -0.011873, 0.013438, 0.003304, 0.001886, -0.001019, 0.001131, -3.1e-05, 0.010363, -0.006005, 0.012717, -0.001432, 0.019525, -0.004967, -0.001293, 0.001556, 0.025268, 0.005049, -0.006309, -0.005143, -0.005539, -0.003428, -0.009305, 0.008467, 0.005582, -0.000672, -0.012854, -0.006025, 0.00629, 0.018592, 0.011534, 0.012534, -0.004478, -0.010899, -0.00475, -0.004033, 0.006836, 0.007461, -0.012527, 0.002612, 0.016314, 0.021636, 0.022774, -0.018718, -0.013889, -0.002386, 0.010699, 0.001572, 0.002207, 0.005118, -0.019586, 0.015285, -0.000167, 0.002678, -0.002323, 0.007972, -0.001507, 0.012743, -0.023016, 0.005628, -0.002066, 0.002293, -0.002504, 0.002896, 0.00401, -0.000333, -0.002388, 0.009106, 0.006418, 0.009714, -0.005898, -0.001903, 0.015311, 0.013212, 0.008313, 0.015589, -0.007066]]},
 "free_energy": -618.28546311,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.159207979117983,
 "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", [7.32807, 13.31732, 12.49923, 5.19879, 11.14074, 10.6487, 6.09773, 11.48654, 12.69413, 7.76077, 13.70496, 7.57737, 5.78682, 11.0896, 7.59823, 5.25963, 8.86223, 10.91942, 7.38248, 11.89755, 6.21545, 8.06134, 9.9966, 14.58381, 5.92472, 8.88499, 7.4408, 9.61654, 11.68263, 14.6518, 11.10766, 13.29592, 6.49281, 9.66322, 8.40573, 14.69497, 10.33678, 11.59427, 5.30503, 8.89234, 6.70408, 13.50719, 10.38346, 8.31737, 5.3482, 11.93866, 10.0034, 5.41619, 14.07528, 11.11501, 12.5592, 12.61752, 8.10245, 13.78455, 14.74037, 11.13777, 9.08058, 14.21318, 8.9104, 12.40177, 12.23923, 6.29504, 12.42263, 13.90227, 8.51346, 7.30587, 12.67193, 6.68268, 7.50077, 14.80121, 8.85926, 9.3513, 7.8542, 12.50003, 11.96501, 6.25269, 10.80793, 10.63025, 6.92636, 11.2529, 11.9979, 7.66617, 12.50229, 9.38595, 8.22886, 13.02185, 10.58879, 6.89632, 11.38272, 9.3955, 9.56249, 13.36427, 10.57406, 8.25818, 12.81176, 8.0057, 9.21926, 12.28645, 12.60045, 7.62717, 10.01284, 12.50524, 6.77035, 10.791, 8.0096, 6.27447, 9.22888, 10.66568, 10.17229, 12.87357, 11.8118, 7.86644, 11.54689, 7.14486, 7.24086, 8.90974, 11.81244, 8.62527, 9.9982, 13.63318, 6.80842, 9.23678, 8.01164, 9.58584, 11.25218, 13.63074, 9.74391, 13.01228, 8.13842, 10.31442, 13.32334, 9.34425, 6.79031, 8.60719, 9.39583, 9.05322, 10.70408, 6.75602, 11.55576, 12.46536, 11.82846, 8.00965, 7.70951, 11.8469, 10.9537, 10.65386, 13.28044, 11.7188, 12.90981, 9.35304, 10.82362, 12.49205, 7.20253, 9.59714, 8.74305, 13.64245, 8.03727, 8.59485, 7.39171, 7.68701, 7.57201, 9.4238, 10.40286, 11.25695, 6.35755, 11.96273, 11.40515, 12.60829, 9.0463, 9.34614, 6.71956, 12.31299, 12.42799, 10.5762, 9.17638, 7.50795, 12.79747, 8.2812, 7.09019, 10.64696, 10.94678, 9.29592, 13.24398, 11.99035, 12.29049, 8.1531, 8.44424, 7.53464, 8.17154, 10.41416, 8.74782, 6.36926, 13.20969, 11.39281, 10.60417, 11.37473, 10.0018, 6.36682, 9.68558, 6.67666, 10.65575, 13.19158, 10.76322, 11.98836, 10.25609, 6.98772, 11.86158, 12.13356, 8.45311, 12.85514, 12.75914, 11.09026, 8.18756, 9.82771, 7.12643, 8.1882, 10.78074, 7.71355, 7.39955, 13.72553, 10.77112, 9.33432, 13.22965, 9.209, 11.9904, 11.74182, 7.18824, 11.9943, 12.37283, 9.98716, 7.49476, 10.43751, 6.63573, 9.42594, 13.07364, 8.7471, 8.0021, 13.10368, 8.61728, 10.6045, 11.77114, 6.97815, 9.41121, 12.33383, 7.49771, 10.61405, 12.1458, 7.49997, 8.03499, 13.74731, 9.19207, 9.36975]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0001268649144927031, 0.00012263941281448013, 0.00014277452125457954, -8.912875031761292e-06, 1.806292741030615e-05, 7.464844914556376e-06]]},
 "unique_id": "bfb0c36844703a5d0e39dd19f1e374e5",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}