{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [17.024266203, -0.080573288, 0.12088523, -0.080446241, 17.501086406, 0.227252414, 0.12102318, 0.226860707, 15.955735669]]},
 "ctime": 20.602625104078086,
 "energy": -622.03788707,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.104069, 0.144496, -0.030087, -0.076499, 0.144845, -0.190457, -0.100518, 0.082812, 0.021036, 0.109419, -0.065491, -0.034266, -0.008364, 0.281962, 0.036754, 0.045145, 0.135239, -0.068512, 0.102047, -0.044551, -0.264652, -0.180338, 0.161319, 0.141671, 0.095945, 0.020139, -0.027601, 0.11556, 0.111311, -0.190435, 0.121696, -0.000861, 0.298001, -0.096607, -0.240353, -0.010771, 0.089748, -0.208667, 0.157673, -0.019265, 0.068192, 0.031736, -0.039775, -0.048018, -0.186984, 0.208355, 0.103713, 0.016717, 0.06737, -0.466629, -0.177196, -0.073557, 0.019763, 0.033515, 0.066037, -0.052243, -0.07233, -0.104498, -0.040922, -0.04229, 0.06522, -0.064497, -0.016182, 0.08961, -0.197126, -0.191173, 0.10317, -0.034181, 0.077364, 0.201073, -0.297545, -0.221573, 0.136259, -0.468412, 0.485779, -0.12537, -0.75019, 0.005553, 0.227476, 0.294239, 0.051771, -0.078728, -0.162453, -0.220802, -0.018347, 0.04326, -0.097618, -0.072646, 0.095617, 0.295514, -0.481707, 0.080078, -0.622505, -0.240204, 0.333564, 0.102113, -0.345375, -0.338415, 0.685965, -0.193241, -0.676483, -0.226902, -0.220022, -0.09856, -0.11399, -0.185923, -0.196323, -0.041237, 0.683862, -0.189948, 0.735263, 0.240532, 0.128605, -0.243351, -0.138173, 0.894512, 0.234275, 0.044685, -0.261295, 0.257841, -0.475567, 0.327761, 0.106973, 0.145874, 0.327776, -0.296453, -0.327722, 0.556429, -0.432592, 0.307536, 0.250032, 0.135077, -0.085921, -0.068597, 0.325524, -0.177213, -0.213797, 0.328691, -0.431576, 0.313208, 0.601506, -0.474517, -0.109888, -0.428998, -0.190644, 0.328358, 0.134376, -0.520788, 0.348586, -0.767778, 0.203181, 0.239089, -0.258389, 0.304518, 0.508127, 0.339804, 0.141726, -0.20499, -0.245119, -0.425155, 0.212526, 0.208986, 0.280252, -0.405558, -0.108143, 0.019973, -0.426753, -0.160064, 0.086141, 0.207829, -0.768199, 0.875043, -0.261099, 0.317935, 0.399583, -0.186772, 0.326002, -0.394682, 0.009725, 0.164003, 0.095479, 0.238116, 0.121331, -0.005321, -0.525903, -0.236036, 0.161512, 0.316576, -0.102108, 0.108566, -0.055674, -0.399448, -0.131764, 0.034182, 0.251073, 0.014266, 0.192065, -0.087686, 0.090888, -0.213754, 0.495759, -0.026204, 0.177046, 0.181629, 0.103923, 0.128417, -0.009201, -0.146408, -0.031216, -0.049037, -0.366813, 0.61571, -0.344222, -0.086984, -0.326372, -0.157529, -0.143685, -0.405323, -0.025739, 0.599352, 0.318234, -0.156146, 0.017148, -0.007228, -0.13096, -0.256979, -0.219355, 0.510804, 0.160345, 0.045079, 0.268034, -0.26583, 0.131601, 0.121509, -0.483076, -0.187959, -0.442239, -0.254727, -0.45458, 0.115922, -0.258029, -0.699748, -0.046349, 0.598546, 0.178981, 0.41432, 0.745415, 0.683348, -0.660918, 0.560355, 0.075262, 0.466466]]},
 "free_energy": -622.03788994,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.584579807461118,
 "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", [5.66852, 12.1726, 10.67479, 3.72302, 9.98004, 8.76646, 4.74674, 10.17674, 10.80724, 5.11039, 12.37162, 7.23406, 6.30648, 13.2475, 8.82682, 6.46115, 12.3791, 5.37003, 7.68344, 12.24431, 11.65907, 3.95691, 7.66808, 9.1421, 7.79566, 10.20853, 12.71595, 4.05614, 6.92924, 7.03361, 10.14742, 9.9739, 12.66779, 5.269, 5.07643, 7.17475, 6.08869, 4.80246, 9.14235, 9.62355, 7.70396, 12.70128, 6.35426, 5.35326, 5.2821, 12.97148, 10.96623, 8.73648, 8.16186, 3.92845, 8.72945, 12.63736, 9.96094, 10.76331, 8.70728, 4.78798, 10.80232, 11.44463, 6.86543, 11.8117, 8.33409, 4.51148, 5.64005, 9.79797, 5.79673, 4.43007, 12.8631, 7.80996, 10.39715, 10.94043, 5.18218, 10.47147, 6.29993, 11.50209, 10.08555, 4.78457, 9.69754, 8.68513, 5.51091, 10.13506, 10.01496, 5.96741, 11.69124, 7.41339, 6.6479, 12.21159, 8.72957, 5.43306, 10.27837, 7.48873, 8.14987, 12.19875, 8.68473, 6.86563, 11.65148, 6.09201, 7.73241, 11.44312, 10.89072, 6.38807, 8.97362, 10.28712, 5.80039, 9.51704, 6.41628, 4.87193, 8.06707, 8.68044, 8.70426, 11.7461, 9.82114, 6.68265, 10.2515, 5.56944, 6.02337, 7.82455, 9.56919, 7.54577, 8.96058, 11.01027, 5.75796, 8.08625, 6.35163, 8.15921, 10.12218, 11.67655, 8.34151, 11.83426, 6.28728, 8.89744, 12.18236, 7.48474, 5.06789, 7.24445, 7.3502, 7.61776, 9.6035, 4.8172, 10.04531, 11.22835, 9.80056, 6.83177, 6.7245, 9.56451, 9.70836, 9.65342, 11.71565, 10.31101, 11.80982, 7.49305, 9.35513, 11.16807, 5.49415, 8.35257, 7.8247, 11.00819, 6.69217, 7.42483, 5.63642, 5.98537, 5.88347, 7.33248, 8.98908, 10.07401, 4.70152, 10.51434, 10.23986, 10.61556, 7.66266, 8.15006, 4.92271, 10.8474, 11.35994, 8.6397, 7.99267, 6.7208, 10.29723, 6.72889, 5.55386, 8.65669, 9.66983, 8.06611, 11.65913, 10.60562, 11.19807, 6.20648, 6.8442, 5.98718, 6.03184, 8.95653, 7.7223, 4.78981, 12.02833, 10.40595, 8.70548, 9.81829, 8.89169, 4.71778, 8.20681, 5.01705, 8.65497, 11.81311, 9.65277, 10.09351, 8.86157, 5.55862, 10.0269, 10.84091, 7.27847, 10.99046, 11.40707, 10.02562, 6.21582, 8.34354, 5.52607, 6.07567, 9.40739, 6.38666, 5.26832, 11.95236, 9.565, 7.47272, 11.84936, 8.08759, 10.07337, 10.36831, 6.02493, 10.0664, 11.0376, 8.88676, 5.41351, 8.94048, 5.43931, 7.45138, 11.3225, 7.71789, 6.24913, 11.63217, 7.515, 8.7079, 10.16362, 6.04075, 7.52481, 10.81017, 6.42686, 8.71643, 10.48085, 6.63791, 6.28664, 11.8518, 8.19892, 7.49487]]},
 "stress": {"__ndarray__": [[6], "float64", [-0.002105304718724304, -0.00201860391545666, -0.0036112622821265422, 0.0002297624339420145, -0.00010769723996711563, -0.0001595579392940796]]},
 "unique_id": "ee210e2a9bd60c0939b54a8eff8e3fef",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}