{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [19.770641526, 0.0, -0.10668759, 0.0, 19.702678904, 0.0, -0.106563877, 0.0, 19.441324701]]},
 "ctime": 20.602625394996643,
 "energy": -619.87388483,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.000197, 0.015034, 0.012376, 0.009817, -0.002047, -0.011521, -0.006217, 0.004318, 0.004238, -0.004504, 0.009971, -0.006544, 0.008362, 0.002355, -0.006025, 0.006493, -0.006949, -0.002696, 0.003701, -0.007465, 0.015957, -0.003999, -0.010613, -0.003328, -0.008362, 0.002355, 0.006025, -0.011898, 0.005029, 0.004866, 0.004504, 0.009971, 0.006544, -0.006493, -0.006949, 0.002696, -0.018145, 0.003388, -0.012852, 0.000197, 0.015034, -0.012376, -0.004663, -0.005522, 0.008947, 0.00888, 0.007512, 0.015638, 0.006217, 0.004318, -0.004238, -0.00888, 0.007512, -0.015638, -0.009817, -0.002047, 0.011521, -0.003701, -0.007465, -0.015957, 0.004663, -0.005522, -0.008947, 0.003999, -0.010613, 0.003328, 0.018145, 0.003388, 0.012852, 0.011898, 0.005029, -0.004866, -0.016031, 0.017625, 0.013683, -0.029772, -0.006865, -0.016875, 0.000601, -0.007303, -0.007803, -0.013168, 0.005967, -0.019441, 0.001664, 0.001868, -0.012578, -0.017173, 0.002344, 0.004878, 0.010751, 0.007329, 0.002182, 0.005174, 0.014611, -0.002888, -0.00086, 0.02622, -0.004276, -0.018536, 0.006212, 0.007379, -0.02572, -0.015036, 0.016465, -0.021156, 0.03819, 0.017752, 0.006774, -0.000297, 0.023262, 0.011235, 0.006347, -0.033108, -0.001512, -0.014366, 0.000753, 0.016873, 0.017083, 0.004385, 0.002185, 0.016671, -0.003562, -0.028596, -0.022248, 0.001892, -0.006774, -0.000297, -0.023262, -0.010751, 0.007329, -0.002182, -0.001554, -0.001881, -0.02254, 0.00425, -0.008872, 0.010288, -0.005174, 0.014611, 0.002888, 0.002126, 0.002164, 0.012393, -0.00425, -0.008872, -0.010288, -0.001664, 0.001868, 0.012578, 0.00086, 0.02622, 0.004276, -0.003445, -0.011052, 0.013297, 0.010184, -0.001981, -0.01083, -0.019648, -0.023314, -0.034327, 0.028596, -0.022248, -0.001892, -0.011235, 0.006347, 0.033108, -0.013658, -0.011243, 0.00384, 0.013168, 0.005967, 0.019441, 0.01181, 0.001011, 0.012045, 0.004165, -0.02759, 0.007141, 0.013658, -0.011243, -0.00384, 0.016031, 0.017625, -0.013683, -0.012494, -0.008377, 0.016021, 0.003445, -0.011052, -0.013297, 0.017173, 0.002344, -0.004878, -0.016873, 0.017083, -0.004385, -0.007701, -0.011578, -0.007782, 0.02572, -0.015036, -0.016465, 0.019197, -0.006653, 0.003126, -0.010184, -0.001981, 0.01083, -0.000601, -0.007303, 0.007803, -0.019197, -0.006653, -0.003126, -0.01181, 0.001011, -0.012045, 0.029772, -0.006865, 0.016875, -0.002185, 0.016671, 0.003562, 0.012494, -0.008377, -0.016021, 0.018536, 0.006212, -0.007379, 0.007701, -0.011578, 0.007782, 0.001512, -0.014366, -0.000753, 0.001554, -0.001881, 0.02254, -0.004165, -0.02759, -0.007141, 0.019648, -0.023314, 0.034327, -0.002126, 0.002164, -0.012393, 0.021156, 0.03819, -0.017752]]},
 "free_energy": -619.87388483,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.584676172115344,
 "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", [7.02321, 13.18561, 12.3149, 5.03417, 10.74327, 10.31887, 5.75721, 11.50606, 12.25293, 7.27433, 14.10804, 10.31739, 9.40425, 14.72636, 10.69825, 8.98424, 13.05644, 13.30974, 6.55405, 9.82539, 13.45366, 5.74781, 8.24991, 12.06764, 10.25983, 14.72636, 8.63638, 7.19499, 6.57899, 12.37874, 12.38975, 14.10804, 9.01725, 10.67984, 13.05644, 6.0249, 7.24027, 5.61946, 10.34527, 12.64086, 13.18561, 7.01973, 9.30697, 4.85982, 10.57793, 10.21129, 5.7551, 12.37305, 13.90687, 11.50606, 7.08171, 9.45279, 5.7551, 6.96159, 14.62991, 10.74327, 9.01577, 13.11002, 9.82539, 5.88097, 10.35711, 4.85982, 8.75671, 13.91627, 8.24991, 7.267, 12.42381, 5.61946, 8.98937, 12.46908, 6.57899, 6.95589, 7.60025, 12.46111, 11.72726, 6.13718, 10.62793, 10.33415, 6.6541, 11.16392, 11.72188, 7.57503, 12.37372, 9.16576, 7.90045, 13.19984, 10.34618, 6.74254, 11.292, 9.13785, 9.42198, 13.67713, 10.34918, 8.36961, 12.38477, 7.94113, 8.99837, 12.36086, 12.44617, 7.12967, 9.86346, 12.51302, 6.95674, 10.56371, 7.88725, 6.47553, 9.14119, 10.30255, 10.02768, 12.85335, 11.43458, 7.93015, 11.25928, 7.12101, 6.72222, 8.57848, 11.66133, 8.56766, 9.88414, 12.8485, 6.92751, 9.17043, 7.88412, 9.37559, 10.98509, 12.8965, 9.63639, 12.85335, 7.90005, 10.2421, 13.67713, 8.98546, 6.76602, 8.48057, 9.16064, 8.89386, 10.54496, 6.41179, 11.29447, 12.38477, 11.3935, 7.66614, 7.29878, 11.68412, 10.77022, 10.54496, 12.92285, 11.76363, 13.19984, 8.98846, 10.6657, 12.36086, 6.88847, 9.40464, 8.68877, 12.83013, 7.91288, 8.4452, 7.16065, 7.61971, 7.29703, 9.13169, 10.28849, 10.98509, 6.43814, 11.73393, 11.25928, 12.21363, 8.86924, 9.12355, 6.40763, 12.08905, 12.37372, 10.16888, 9.04851, 7.5591, 12.17923, 7.91713, 6.49101, 10.33273, 10.79484, 9.12355, 12.92701, 12.06383, 12.46111, 7.60737, 8.305, 7.27813, 7.95031, 10.25944, 8.68877, 6.50451, 12.92154, 11.292, 10.19679, 11.09642, 9.88414, 6.48614, 9.40958, 5.92818, 10.35038, 12.70734, 10.56371, 11.44738, 10.06662, 6.56608, 11.63122, 11.7512, 8.4452, 12.17398, 13.00998, 11.16392, 7.61276, 9.59746, 6.56608, 7.70341, 10.61557, 7.5591, 7.15541, 13.5269, 10.62793, 9.00049, 12.73657, 9.17043, 11.45052, 11.35908, 7.27813, 11.38433, 12.53441, 9.86346, 6.82161, 10.25449, 5.92818, 8.98425, 12.94185, 8.57848, 7.67331, 12.89806, 8.48057, 10.174, 11.74694, 6.49101, 9.00191, 12.04437, 7.29703, 10.20295, 11.99794, 7.29878, 7.65052, 13.18854, 9.14119, 9.03209]]},
 "stress": {"__ndarray__": [[6], "float64", [-3.713697929900539e-06, 1.9248814144223967e-05, 1.8031719864676732e-05, -0.0, -9.42467878008372e-06, -0.0]]},
 "unique_id": "9d1d0fa375085cc73ab018b4fcb42167",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}