{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [18.825419107, -0.062181538, 0.146969917, -0.062482645, 19.273036135, 0.015666025, 0.146426354, 0.015478344, 19.194003951]]},
 "ctime": 20.602648146903352,
 "energy": -591.3565355,
 "forces": {"__ndarray__": [[78, 3], "float64", [-0.005745, 0.01679, 0.02216, 0.00943, 0.005586, -0.040408, -0.042451, -0.03796, -0.000509, 0.171155, -0.12479, -0.020789, -0.016872, -0.002775, -0.054306, -0.025252, 0.009168, -0.011838, 0.013907, 0.004936, 0.006269, 0.005196, -0.021867, 0.022941, -0.052987, -0.027745, -0.056929, 0.033565, 0.032133, -0.067081, -0.005919, 0.01344, 0.010938, 0.144577, -0.065419, -0.018081, -0.046051, -0.010199, 0.14285, 0.031815, 0.075112, -0.016218, 0.01478, 0.054566, -0.045727, -0.003372, -0.048524, 0.055677, -0.015522, 0.009343, 0.015083, -0.003681, 0.040334, 0.009582, 0.044534, -0.021757, -0.048632, 0.029218, -0.141658, 0.131271, -0.11247, -0.007352, -0.053804, 0.034893, 0.071192, 0.00681, -0.08934, -0.041172, 0.029239, -0.116249, 0.017939, -0.105735, 0.072232, 0.041291, -0.062727, -0.005223, -0.027006, -0.086608, 0.132652, -0.089533, 0.083255, 0.034156, -0.047374, 0.015145, 0.013844, 0.003949, -0.000775, -0.007433, 0.146408, -0.037477, 0.025135, -0.01087, 0.037272, -0.143956, -0.01996, 0.067667, -0.040612, 0.070173, 0.046549, 0.029819, 0.048223, -0.011984, -0.027167, 0.087754, 0.035524, 0.048089, -0.009793, -0.006414, -0.019235, 0.013835, 0.018186, -0.022706, 0.007062, -0.058535, -0.023924, -0.011959, -0.053731, -0.019456, -0.089858, -0.009195, 0.02948, 0.033088, 0.002782, -0.019364, -0.074299, 0.000463, -0.032378, 0.124096, -0.113933, 0.026385, -0.09328, 0.015938, -0.032722, -0.008379, -0.020325, -0.071645, -0.153655, -0.148261, 0.035849, -0.027363, 0.094412, -0.043632, -0.055543, -0.050515, 0.077465, 0.014621, 0.022328, -0.072693, -0.005428, 0.001817, 0.029241, 0.051534, 0.0792, 0.000648, 0.048084, 0.026454, 1.8e-05, 0.142673, 0.087421, -0.013203, 0.009614, 0.032146, -0.034303, -0.050555, 0.029127, -0.061666, 0.086213, 0.027714, -0.028903, 0.010851, -0.024122, -0.005962, 0.048378, -0.030528, 0.052202, -0.043595, 0.02347, -0.015827, -0.001801, -0.052042, -0.026099, -0.010295, -0.010561, 0.002757, 0.084539, -0.047188, 0.058436, 0.005832, -0.006877, 0.011543, 0.01267, -0.036337, 0.024905, -0.02292, 0.017417, 0.099165, 0.037473, -0.034482, -0.009878, -0.03423, 0.043008, -0.014098, -0.026232, 0.016069, -0.063249, -0.05484, 0.043844, 0.035337, 0.007719, 0.069755, -0.015241, 0.056672, 0.049996, -0.004123, 0.068813, -0.014546, -0.035145, -0.027429, -0.076391, -0.003002, 0.049102, 0.090713, 0.015443, 0.00425, 0.076891, 0.01055, -0.045483, -0.07563, -0.025175, -0.045, 0.023564, 0.075505, -0.027557, -0.021702]]},
 "free_energy": -591.51125968,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.58627529526258,
 "numbers": {"__ndarray__": [[78], "int32", [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__": [[78, 3], "float64", [11.56401, 13.25694, 12.37461, 12.83396, 9.61876, 6.07814, 12.92091, 13.14563, 10.54971, 11.28125, 5.40008, 9.01038, 9.69781, 5.4039, 12.45023, 11.81886, 6.04743, 12.22619, 5.385, 10.55495, 7.00207, 9.10266, 13.8411, 7.18166, 9.21782, 5.34226, 7.37515, 12.17156, 6.36959, 7.19293, 12.23352, 12.83984, 6.98714, 4.99494, 11.72381, 8.98836, 6.89833, 6.34245, 11.68993, 11.78396, 14.0089, 8.85794, 6.31321, 6.02167, 9.04565, 8.82816, 4.62863, 10.32819, 7.84996, 9.54333, 14.31765, 5.99213, 9.59937, 13.11147, 7.46935, 11.95313, 11.48573, 6.05588, 10.3763, 10.28477, 6.63389, 10.81318, 11.46888, 7.1166, 12.24021, 9.0664, 7.72745, 12.63025, 10.25862, 5.98022, 11.21384, 9.03884, 9.154, 12.97844, 10.24929, 7.87152, 12.19536, 7.87648, 8.72475, 11.89578, 12.23872, 6.84205, 9.62461, 12.40161, 6.23613, 10.411, 7.69062, 6.11459, 8.92197, 10.26741, 9.71627, 12.60473, 11.49985, 7.49979, 11.07637, 7.12606, 6.67969, 8.47287, 11.43761, 8.14714, 9.60227, 13.25491, 6.49456, 8.92843, 7.8747, 9.0728, 10.79488, 13.03733, 9.21924, 12.8794, 7.73387, 9.88202, 13.07897, 9.09255, 6.29987, 8.22678, 9.031, 8.47271, 10.34565, 6.42415, 11.18914, 12.45773, 11.71108, 7.50083, 7.24732, 11.44524, 10.43984, 10.34327, 12.99367, 11.38635, 12.99429, 9.02804, 10.24808, 11.96426, 7.10144, 9.07989, 8.42404, 12.95841, 7.47795, 8.19437, 7.06448, 7.01831, 6.87747, 8.96299, 9.87398, 10.78722, 6.48394, 11.43463, 11.06607, 12.30976, 8.46416, 8.94073, 6.35506, 12.06366, 12.47553, 10.35927, 8.75178, 7.31572, 12.245, 8.07118, 6.79624, 10.06289, 10.45809, 8.89559, 13.00131, 11.65308, 12.18237, 7.66611, 7.76996, 6.98411, 7.66231, 9.8514, 8.46971, 6.43086, 12.56651, 11.05995, 10.28022, 10.69374, 9.63542, 6.39809, 9.05206, 5.7064, 10.36167, 12.31994, 10.33574, 11.48006, 9.70848, 6.24778, 11.74094, 11.43634, 8.17765, 12.32368, 12.32355, 10.84937, 7.82847, 9.1431, 6.39767, 7.71554, 10.19307, 7.28309, 7.03918, 12.7125, 10.37177, 9.06437, 12.32401, 8.91153, 11.50501, 11.1949, 6.79266, 11.69572, 12.0948, 9.64009, 6.90662, 9.57936, 6.47771, 9.21772, 12.26127, 8.44757, 7.84394, 12.49612, 8.17864, 10.2723, 11.13342, 6.49218, 9.10137, 11.76834, 7.02458, 10.31435, 11.54795, 7.12249, 7.71098, 12.68801, 8.90336, 9.04504]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00012918675588753168, 0.0001263843182900101, 0.0001719473349089579, 1.1166059826205148e-05, 2.4909862921400085e-05, 2.9366300437280732e-05]]},
 "unique_id": "bc1ac59a833825d9ff64d442cd60ad06",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}