{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [18.056270388, 0.195445867, 0.849355235, 0.194658468, 17.276487047, 0.254587376, 0.848568342, 0.25440293, 17.353534075]]},
 "ctime": 20.602647209169632,
 "energy": -598.71608392,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.019173, -0.012215, -0.125322, -0.34436, 0.51911, -0.090656, -0.210639, 0.062458, 0.034616, 0.059736, -0.087681, 0.046064, 0.308891, 0.058868, 0.118468, -0.082155, 0.07331, 0.064508, 0.034302, -0.122505, -0.021017, 0.113247, -0.23901, 0.442888, 0.137464, 0.306345, 0.190867, -0.113247, 0.23901, -0.442888, -0.137464, -0.306345, -0.190867, -0.034302, 0.122505, 0.021017, 0.082155, -0.07331, -0.064508, -0.059736, 0.087681, -0.046064, -0.308891, -0.058868, -0.118468, 0.210639, -0.062458, -0.034616, 0.34436, -0.51911, 0.090656, -0.019173, 0.012215, 0.125322, 0.212853, -0.405373, 0.151761, -0.027332, -0.035126, 0.22668, -0.414837, -0.137885, -0.002703, -0.116359, -0.190926, 0.020964, 0.227588, 0.309853, 0.438388, -0.472719, -0.022113, -0.086054, 0.433082, 0.183802, -0.171615, 0.189124, -0.321342, -0.380064, 0.009442, 0.271557, 0.164017, -0.142413, 0.226683, 0.150777, -0.140275, 0.151565, 0.018233, 0.033377, -0.367885, 0.280897, 0.125609, 0.286351, -0.415, 0.123478, 0.04458, 0.014747, -0.142976, 0.294133, -0.135856, -0.291719, 0.426465, -0.441188, -0.145876, -0.117693, -0.109688, -0.485341, -0.219272, 0.558011, -0.011635, 0.002683, 0.080026, 0.046909, 0.042799, 0.059705, -0.080152, -0.404814, -0.349578, -0.372424, 0.120242, -0.127875, 0.225737, 0.207131, -0.055588, -0.096992, -0.337407, -0.15724, 0.605067, -0.268555, -0.089193, 0.243852, 0.180247, -0.1831, 0.417994, 0.158052, 0.583706, -0.21311, -0.022645, 0.434182, -0.196066, 0.357265, -0.263289, 0.338244, -0.403226, 0.249811, 0.21311, 0.022645, -0.434182, 0.196066, -0.357265, 0.263289, -0.605067, 0.268555, 0.089193, -0.338244, 0.403226, -0.249811, -0.417994, -0.158052, -0.583706, -0.243852, -0.180247, 0.1831, 0.372424, -0.120242, 0.127875, 0.096992, 0.337407, 0.15724, -0.225737, -0.207131, 0.055588, 0.485341, 0.219272, -0.558011, 0.080152, 0.404814, 0.349578, 0.291719, -0.426465, 0.441188, -0.046909, -0.042799, -0.059705, 0.145876, 0.117693, 0.109688, 0.011635, -0.002683, -0.080026, -0.123478, -0.04458, -0.014747, 0.142976, -0.294133, 0.135856, -0.125609, -0.286351, 0.415, -0.009442, -0.271557, -0.164017, -0.033377, 0.367885, -0.280897, 0.140275, -0.151565, -0.018233, -0.189124, 0.321342, 0.380064, 0.142413, -0.226683, -0.150777, -0.433082, -0.183802, 0.171615, 0.414837, 0.137885, 0.002703, 0.472719, 0.022113, 0.086054, -0.227588, -0.309853, -0.438388, 0.116359, 0.190926, -0.020964, -0.212853, 0.405373, -0.151761, 0.027332, 0.035126, -0.22668]]},
 "free_energy": -598.7161075,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.336416644349086,
 "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", [6.82792, 12.09959, 11.84278, 7.07241, 13.14426, 9.83925, 9.29344, 13.73377, 9.94993, 7.7673, 9.2258, 13.83367, 5.4866, 7.8925, 6.53622, 5.00803, 6.92963, 8.53542, 8.02757, 9.63235, 4.56894, 8.93065, 7.29075, 13.91045, 6.40838, 5.12443, 8.4285, 10.16885, 10.43558, 4.54703, 12.69111, 12.6019, 10.02898, 11.07193, 8.09399, 13.88853, 14.09147, 10.79671, 9.92206, 11.3322, 8.50053, 4.6238, 13.6129, 9.83384, 11.92125, 9.80606, 3.99256, 8.50754, 12.02709, 4.58208, 8.61822, 12.27157, 5.62675, 6.6147, 7.4175, 11.47184, 11.14799, 6.25199, 9.60042, 9.76591, 6.83912, 10.09792, 11.01683, 7.26569, 11.46177, 8.56226, 7.65269, 12.23136, 9.77552, 6.50065, 10.28082, 8.58469, 9.17643, 12.64846, 9.78473, 7.99987, 11.38453, 7.36411, 8.81773, 11.21453, 11.67565, 7.18443, 9.00741, 11.76933, 6.6802, 9.51115, 7.34893, 6.19475, 8.19598, 9.78895, 9.78458, 11.86934, 10.93628, 7.60815, 10.17399, 6.60258, 6.81923, 7.81456, 11.0093, 8.22966, 9.01216, 12.85438, 6.35074, 8.05262, 7.2227, 9.19058, 10.11385, 12.43906, 9.33747, 11.75769, 7.32021, 9.95716, 12.25379, 8.55975, 6.03632, 7.31743, 8.59717, 8.48038, 9.50285, 5.56918, 11.10837, 11.42818, 10.94933, 7.65383, 6.71422, 11.09111, 10.50152, 9.68434, 12.48339, 11.24656, 11.80638, 8.58855, 10.27612, 11.02105, 6.56243, 9.13229, 7.72299, 12.9317, 7.62632, 7.38166, 6.73123, 6.99591, 6.05301, 8.62609, 9.96721, 10.00335, 5.52578, 11.47318, 10.34467, 11.72625, 8.59798, 8.042, 5.97409, 12.10359, 11.67333, 9.83138, 8.82337, 6.70529, 11.89505, 7.85294, 5.91996, 9.86892, 10.61911, 8.22349, 12.88829, 11.44566, 11.01212, 7.36637, 7.99113, 6.29815, 7.50815, 9.90891, 7.61249, 6.01841, 13.06318, 10.40891, 9.86031, 10.86984, 8.71418, 5.6031, 9.14234, 5.47254, 9.89773, 12.74876, 9.67372, 11.23477, 9.76202, 5.96865, 11.13727, 11.49135, 7.55235, 11.8549, 12.28027, 9.91178, 7.44817, 9.31492, 5.85699, 7.5212, 10.28176, 6.51181, 6.78182, 12.90475, 9.53035, 8.66853, 12.4193, 8.21519, 11.10855, 11.09962, 6.3418, 11.09337, 11.91507, 8.71893, 6.68815, 9.92307, 5.07788, 8.67275, 12.26037, 7.62842, 7.44065, 12.59885, 7.44551, 9.87279, 11.44681, 5.49498, 8.68195, 11.83381, 6.26457, 9.89522, 11.682, 6.2545, 7.30949, 12.84751, 8.12591, 8.69157]]},
 "stress": {"__ndarray__": [[6], "float64", [-0.0015055955558729373, -0.001764162554430903, -0.001086016346394561, 0.000413381390916374, 0.0005660050135715974, -0.00045905675469958777]]},
 "unique_id": "63c0fdb88ab02a950ae2c0ed3476689c",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}