{"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": 20.60262196900739,
 "energy": -618.36670954,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.000414, -0.001195, -0.001078, 0.001588, -0.000518, -0.006801, -0.001291, 0.001215, -0.005252, 0.000287, 0.001314, -0.001147, 0.000146, 0.002899, -1.8e-05, -0.002293, 0.000865, 0.001335, 0.001588, 0.000518, -0.006801, -0.001291, -0.001215, -0.005252, -0.001887, 0.000641, 0.000153, -0.001811, 0.001407, 0.001377, -0.003272, -0.000451, 0.003664, 0.000414, 0.001195, -0.001078, -0.000722, -0.001438, 0.002948, -0.002881, 0.000195, 0.001905, -0.003272, 0.000451, 0.003664, -0.002293, -0.000865, 0.001335, 0.000287, -0.001314, -0.001147, -0.000946, 0.002566, 0.001107, -0.002881, -0.000195, 0.001905, 0.000146, -0.002899, -1.8e-05, -0.001887, -0.000641, 0.000153, -0.000722, 0.001438, 0.002948, -0.001811, -0.001407, 0.001377, -0.000946, -0.002566, 0.001107, -0.002063, -0.001378, 0.001263, -0.002494, -0.003557, -0.004145, -0.000413, 0.002925, 0.000101, 0.00211, 0.004377, 0.001501, 0.000772, 0.003004, 0.001578, -0.000587, -0.000695, 0.001477, 0.001088, 0.004185, -0.00053, 0.005565, 0.00244, 4e-06, -0.001306, -0.001176, 0.002575, -0.005013, 0.0, -0.000187, 0.004527, -0.004827, 0.00205, -0.002494, 0.003557, -0.004145, 0.003221, -0.006303, -0.004732, 0.002064, -0.0034, -0.004612, -0.000413, -0.002925, 0.000101, 0.002584, 0.0, -0.001473, 0.004527, 0.004827, 0.00205, 0.000332, -0.002973, 0.000945, 0.003485, 0.005358, 6.2e-05, -0.001353, 0.002701, 0.000664, -0.000587, 0.000695, 0.001477, 0.001044, -0.004543, -0.001778, -0.004512, -0.000686, -0.001995, -0.002063, 0.001378, 0.001263, -0.001735, 0.00285, -0.001748, -0.00522, -0.003407, 0.000645, 0.001603, 0.000397, 0.000822, 0.000332, 0.002973, 0.000945, 0.002064, 0.0034, -0.004612, 0.00211, -0.004377, 0.001501, 0.00126, 0.001723, 0.001564, -0.001429, 0.0021, 0.0009, 0.001044, 0.004543, -0.001778, -0.001408, -0.001408, 0.002124, -0.001306, 0.001176, 0.002575, 0.000772, -0.003004, 0.001578, -0.001735, -0.00285, -0.001748, 0.0032, -0.004332, -0.001277, 0.005565, -0.00244, 4e-06, 0.00126, -0.001723, 0.001564, 0.002523, 1e-05, -0.000278, 0.005829, 0.0, 0.000334, 0.001088, -0.004185, -0.00053, -0.001113, -0.001572, 0.002201, 0.003221, 0.006303, -0.004732, -0.001429, -0.0021, 0.0009, 0.002452, 0.000411, 0.00193, 0.003485, -0.005358, 6.2e-05, 0.001603, -0.000397, 0.000822, -0.001942, 0.002231, -0.000522, -0.001113, 0.001572, 0.002201, -0.004512, 0.000686, -0.001995, 0.002596, 0.0, 0.003356, -0.001353, -0.002701, 0.000664, 0.002452, -0.000411, 0.00193, 0.002523, -1e-05, -0.000278, -0.00522, 0.003407, 0.000645, -0.001408, 0.001408, 0.002124, 0.0032, 0.004332, -0.001277, -0.001942, -0.002231, -0.000522]]},
 "free_energy": -618.4429042,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.585035273877192,
 "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", [7.20481, 13.30922, 12.64826, 5.2252, 11.13407, 10.71887, 6.1263, 11.45228, 12.76519, 7.45823, 14.19492, 10.62153, 9.56769, 14.90094, 11.01555, 9.1523, 13.22788, 13.67837, 5.2252, 8.86593, 10.71887, 6.1263, 8.54772, 12.76519, 9.42253, 14.19689, 7.44829, 10.71664, 14.90081, 9.16179, 8.5129, 11.1343, 5.40456, 7.20481, 6.69078, 12.64826, 11.12385, 13.30969, 6.31611, 10.74703, 11.45274, 5.29943, 8.5129, 8.8657, 5.40456, 9.1523, 6.77212, 13.67837, 7.45823, 5.80508, 10.62153, 12.91347, 13.22754, 7.60133, 10.74703, 8.54726, 5.29943, 9.56769, 5.09906, 11.01555, 9.42253, 5.80311, 7.44829, 11.12385, 6.69031, 6.31611, 10.71664, 5.09919, 9.16179, 12.91347, 6.77246, 7.60133, 7.816, 12.59957, 12.07641, 6.27678, 10.80271, 10.71159, 6.9561, 11.25672, 12.05909, 7.85642, 12.43931, 9.53848, 8.125, 13.31722, 10.69313, 6.99208, 11.38441, 9.53977, 9.61319, 13.84187, 10.71097, 8.63158, 12.43947, 8.28664, 9.21217, 12.52774, 12.81879, 7.62749, 10.0, 12.54617, 7.25618, 10.67527, 8.3013, 6.27678, 9.19729, 10.71159, 10.23653, 13.05764, 11.8319, 8.24687, 11.38485, 7.51223, 6.9561, 8.74328, 12.05909, 8.79871, 10.0, 13.235, 7.25618, 9.32473, 8.3013, 9.63358, 11.17894, 13.31723, 9.78382, 13.31873, 8.01247, 10.46284, 13.84193, 9.33805, 6.99208, 8.61559, 9.53977, 8.97571, 10.80309, 6.34896, 11.50662, 12.5869, 11.79702, 7.816, 7.40043, 12.07641, 10.95395, 10.73554, 13.31181, 11.7432, 13.05681, 9.39537, 10.88405, 12.6008, 7.11879, 9.63358, 8.82106, 13.31723, 8.24687, 8.61515, 7.51223, 7.85642, 7.56069, 9.53848, 10.48438, 11.25712, 6.35691, 11.93929, 11.42889, 12.56803, 8.97571, 9.19691, 6.34896, 12.27936, 12.58657, 10.54742, 9.21217, 7.47226, 12.81879, 8.125, 6.68278, 10.69313, 10.95395, 9.26446, 13.31181, 12.16998, 12.52785, 8.03771, 8.63158, 7.56053, 8.28664, 10.48438, 8.74288, 6.35691, 13.16241, 11.42872, 10.59037, 11.21855, 10.0, 6.74085, 9.61319, 6.15813, 10.71097, 12.92311, 10.72392, 11.80959, 10.23653, 6.94236, 11.8319, 11.93929, 8.57111, 12.56803, 12.80364, 11.17907, 8.19223, 9.78382, 6.68127, 8.01247, 10.88405, 7.3992, 7.11879, 13.38764, 10.73563, 9.37638, 12.92311, 9.27608, 11.80959, 11.50662, 7.4131, 11.79702, 12.35709, 10.0, 7.48201, 10.46284, 6.15807, 9.33805, 12.80364, 8.82093, 8.19223, 13.16241, 8.57128, 10.59037, 11.7432, 6.94319, 9.39537, 12.27936, 7.41343, 10.54742, 12.16998, 7.47215, 8.03771, 13.38764, 9.26437, 9.37638]]},
 "stress": {"__ndarray__": [[6], "float64", [8.922237295450118e-05, 6.73271589409027e-05, 0.0001048760778422164, -0.0, 1.0985056061554536e-06, -0.0]]},
 "unique_id": "b33fcfb3b8b64726194734c45b653a2b",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}