{"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": 20.63555644251015,
 "energy": -657.02140651,
 "forces": {"__ndarray__": [[96, 3], "float64", [-0.00782, 0.002989, 0.003316, -0.006076, 0.009628, -0.004572, 0.000481, -0.002963, -0.008105, 0.002351, 0.000836, -0.005963, -0.003372, -0.005458, 0.00459, -0.008757, 0.001184, -0.004429, -0.00966, -0.006281, 0.004103, -0.006606, 0.001265, -0.000249, 0.004695, -0.000812, 0.003939, 0.003155, -0.003633, 0.001544, -0.00459, 0.006094, -2.1e-05, -0.002828, -0.002268, 0.005705, -0.007456, 0.003695, -0.00441, -0.005723, -0.000624, -8e-05, 0.007564, 0.002749, -0.005805, 0.006883, 0.010567, -0.00322, -0.003883, 0.005377, -0.007247, -0.00481, -0.000923, 0.000739, 0.003609, 0.006531, -0.00219, -0.003562, 0.006708, -0.003692, 0.002769, 0.005365, -0.004696, 0.005203, 0.000637, -0.000184, -0.005545, -0.000549, 0.008022, -0.002135, 0.006264, 0.001359, 0.004431, -0.004023, 0.009354, 0.007649, -0.004446, -0.00052, 0.00017, -0.008685, 0.002712, 0.004008, -0.004241, 0.008674, -0.007275, -0.001983, 0.001272, 0.000818, -0.005204, 0.003611, 0.009776, 0.000742, 0.000821, 0.002866, 0.002941, -0.006105, 0.004959, 0.004494, -0.00084, 0.006483, 0.003453, 0.001843, 0.008453, -0.004683, -0.001584, 0.001408, -0.003872, 0.000533, -0.014619, -0.005183, -0.003888, -0.005854, -0.012184, 0.006927, -0.001566, -0.004554, 0.000882, -0.005887, -0.002614, 0.008322, -0.008463, 0.010791, -0.007758, -0.001786, 0.013699, -0.005906, 0.004665, 0.004043, 0.011627, -0.004636, -0.006581, -0.015325, 0.00393, 0.022047, -0.001817, 0.011935, -0.008275, 0.001472, 0.009061, 0.011091, 0.003555, -0.000178, 0.000395, -0.006468, 0.010024, -0.011787, -0.004247, -0.014727, 0.007384, 0.01172, -0.004032, 0.004946, 0.009565, 0.002475, 0.016682, -0.00014, -0.007791, 0.006258, 0.004566, -0.003809, -0.00425, -0.006245, 0.003083, 0.01078, 0.012933, -0.005775, -0.005586, -0.005577, -0.011646, -0.000197, 0.013537, 0.009394, -0.013119, -0.006948, 0.012284, 0.006733, 0.012897, -0.008167, -0.00659, -0.002552, -0.00433, 0.002609, 0.01209, -0.010526, -0.001725, -0.01105, 0.00675, -0.000404, -0.007815, -0.008779, -0.015429, 0.000422, -0.005271, -0.017562, -0.005766, 0.009604, -0.005829, 0.00313, 0.008517, 0.012597, 0.001917, -0.003964, -0.002513, 0.002725, -0.007199, -0.002006, 0.006973, 0.004061, 0.000109, -0.019457, 0.001849, -0.003062, 0.009661, -0.001955, 0.006484, -0.015122, 0.00416, -0.01332, -0.000201, -0.018058, 0.015541, -0.008267, 0.00507, -0.004256, 0.004931, -0.007623, 0.004997, -0.017421, 0.010394, 0.005069, -0.014505, 0.007137, -0.00443, 0.003494, -0.00957, 0.00286, 0.007052, -0.006055, -0.012781, 0.006329, 0.007223, 0.000621, 0.001529, 0.008591, 0.002268, -0.007801, 0.019114, -0.011981, -0.001603, 0.011783, -0.008655, -0.007874, -0.004229, 0.002039, -0.002702, 0.001016, 0.007971, 0.007375, 0.000678, 0.020612, -0.003245, -0.003502, -0.009069, -0.005912, 0.013868, -0.000282, 0.011519, 0.008228, -0.007457, 0.008171, -0.030107, -0.03218, 0.001616, 0.002413, 0.005217, 0.003913, 0.005793, -0.008375, 0.009656, -0.00163, -0.003941, 0.002618, 0.01556, 0.02806, -0.000537, 0.005441, -0.006596, -0.005202]]},
 "free_energy": -657.30547348,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.0832124657835,
 "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", [6.1448, 11.52879, 12.49438, 6.58739, 13.47232, 9.20122, 7.7371, 14.24912, 10.92254, 7.72252, 13.47747, 7.31002, 8.84626, 13.25452, 13.5756, 5.98278, 11.02856, 7.50665, 5.19713, 9.19298, 10.79978, 10.26871, 14.32509, 12.34606, 6.11443, 8.52349, 12.69058, 9.30431, 11.46335, 14.65374, 9.73727, 14.32995, 7.61395, 5.67199, 7.89018, 9.07717, 12.29397, 13.64799, 12.4755, 7.2439, 6.65068, 12.38669, 11.39266, 10.90013, 14.6855, 12.33391, 14.14769, 9.12774, 11.24145, 13.20421, 6.45867, 9.44607, 8.56203, 14.65373, 7.15502, 8.04425, 6.42395, 10.39615, 11.48983, 5.3458, 12.90918, 11.85521, 13.51667, 8.57743, 9.22506, 5.34632, 9.12161, 6.67796, 13.54233, 7.67596, 6.3429, 7.65429, 10.59776, 8.45302, 5.31368, 14.37116, 11.97577, 11.01061, 9.4503, 5.27094, 10.8712, 12.72597, 8.03295, 13.48207, 9.7127, 5.70042, 7.52457, 11.26456, 6.78993, 6.48344, 14.70254, 11.11503, 9.00074, 13.36345, 9.98995, 6.51885, 14.46156, 8.10887, 11.02046, 12.37542, 5.83422, 8.98902, 13.15097, 6.33532, 10.99828, 14.72059, 8.90979, 8.97875, 8.04972, 12.32529, 11.8328, 6.67773, 10.7024, 10.56192, 7.06319, 11.23158, 11.92501, 7.44143, 12.79065, 9.35226, 8.15409, 13.24312, 10.65773, 6.90019, 11.38142, 9.43861, 9.65139, 13.36025, 10.56532, 8.27108, 12.80444, 7.99147, 9.16978, 12.52415, 12.79676, 7.65708, 9.9779, 12.52575, 6.9008, 10.72815, 8.07495, 6.28864, 9.24358, 10.64839, 10.25918, 13.29391, 11.94931, 8.11793, 11.39429, 7.47337, 6.95323, 8.74611, 12.00832, 8.79877, 10.00215, 13.20753, 7.05553, 9.26377, 8.16685, 9.56354, 11.24719, 13.60159, 9.73966, 13.30891, 8.03304, 10.32935, 13.38036, 9.42163, 6.60003, 8.45928, 9.34202, 9.02728, 10.70361, 6.79213, 11.74366, 12.81531, 11.9766, 7.84596, 7.4753, 11.96732, 11.06786, 10.76588, 13.62648, 11.82795, 13.18102, 9.38316, 10.83715, 12.50111, 7.20654, 9.59713, 8.77722, 13.56458, 7.84563, 8.44511, 7.20332, 7.74368, 7.48552, 9.4349, 10.39237, 11.22669, 6.4347, 12.14571, 11.52247, 12.79045, 8.91459, 9.24754, 6.3984, 12.34358, 12.58594, 10.63103, 9.20843, 7.48369, 12.7937, 8.28056, 7.07089, 10.57936, 10.97641, 9.3061, 13.33686, 11.92756, 12.22272, 8.21723, 8.27463, 7.18291, 8.05091, 10.41477, 8.75328, 6.3728, 13.40283, 11.53129, 10.66453, 11.19913, 9.98848, 6.66133, 9.60939, 6.35077, 10.6173, 12.85751, 10.66496, 11.76742, 10.25404, 7.06662, 11.78367, 12.05942, 8.5148, 12.72096, 12.71872, 11.1524, 8.23234, 9.75658, 6.69754, 8.02301, 10.84183, 7.50827, 7.20881, 13.69861, 10.79511, 9.3275, 12.88863, 9.33522, 11.75788, 11.52338, 7.46944, 11.76793, 12.53976, 9.9919, 7.2788, 10.37631, 6.53126, 9.36917, 12.72759, 8.84201, 8.2426, 13.47609, 8.4645, 10.67314, 11.85298, 6.76281, 9.33594, 12.52658, 7.18442, 10.67239, 11.92054, 7.78429, 8.23289, 13.71455, 9.20166, 9.3268]]},
 "stress": {"__ndarray__": [[6], "float64", [4.2136428108837874e-05, 4.2011597926320206e-05, 9.307338408517115e-05, 3.566398314529694e-05, 1.2557916361277114e-05, 1.1952489976066439e-05]]},
 "unique_id": "68669159de10135ba60f2754ca98e49d",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}