{"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": 20.63617575509148,
 "energy": -595.61678306,
 "forces": {"__ndarray__": [[78, 3], "float64", [-0.002053, 0.002749, -0.003386, -0.000652, -0.001059, -0.000238, 0.003161, 0.000716, 0.004737, -0.004843, -0.00413, -0.004511, -0.003581, 0.000404, 0.005624, -0.002492, -0.00098, 0.000191, 0.001443, -0.004239, -0.003413, 0.006057, 0.000566, -0.004051, 0.003375, -0.003341, 1.5e-05, 0.001617, 0.001781, 0.000632, 0.002389, 0.000331, 0.003538, -0.002302, -0.00391, 0.003056, 0.000196, 0.000869, -0.002505, 0.000883, 0.005343, -0.002342, -0.005201, 0.003764, 5.7e-05, 0.001446, 0.005525, 0.00465, -0.002906, 0.002006, -0.000528, -0.005142, 0.002506, -0.00525, 0.002534, -0.000305, 0.000394, -0.004097, 0.003954, -0.000875, 0.004036, -0.006477, 0.003414, 0.001092, -0.001504, 0.003184, -0.00099, -0.001612, -0.001505, -0.002646, 0.000853, 0.002576, -0.003666, 0.000927, -0.000527, 0.005385, -0.001292, -0.000579, -0.003507, 0.002848, -0.002793, -0.000343, 0.006312, 0.000261, 0.004012, 0.002392, 0.000718, 0.002371, 3.8e-05, -0.004288, -0.004378, -0.002409, 0.001726, -0.005911, 0.002561, 0.00352, 0.001929, 0.002161, 0.000953, 0.003663, -0.003268, -0.000579, 0.001456, -0.000276, -0.00266, 0.006278, 0.003663, 0.00252, -0.012977, 0.004092, 0.007164, -0.00303, 0.005181, 0.000292, 0.003177, -0.00317, -0.000663, 0.002834, -0.004807, -0.002175, -0.00345, 0.002557, -0.001563, 0.004199, 0.002191, 0.000848, -0.000795, 0.001075, -0.004771, -0.001302, -0.002013, 0.001938, 0.003722, -0.005786, -0.009612, 0.001884, -0.000144, 0.001995, 0.00162, -0.000768, 0.000121, 0.004676, 0.000429, 0.001668, -0.00796, -0.005886, 0.000237, -0.001872, -0.00696, 0.001919, -0.002692, 0.000766, 0.004712, -0.00149, -0.000927, 0.002812, 0.003428, -0.000489, 0.005458, 0.002823, -0.004342, 0.003607, 0.003747, -0.002444, -0.005899, -0.005318, 0.002329, -0.001628, 0.004374, -0.003804, -0.003058, 0.00167, -0.002973, 0.002958, -0.001532, -0.002875, -0.002383, -0.000212, -0.001724, -0.002732, 0.002282, -0.001114, -0.000552, 0.003472, 0.000365, 0.00338, 0.003122, 0.004307, 0.001765, -0.002427, 0.003279, 0.000422, -0.002777, 0.001579, -0.001567, 0.001969, -0.000382, -2.6e-05, -0.001409, 0.005802, -0.00104, -0.000187, 0.000183, -0.002266, -0.001418, 0.000242, 0.000743, -0.001077, -0.000318, -0.002624, 0.000288, -0.001408, -0.005381, 0.008648, 0.003857, 0.000332, -0.004254, -0.002366, -0.002813, -0.005219, -0.000315, 0.001691, 0.00037, -0.001706, -0.005681, 0.000674, 0.000754, 0.00617, 0.002032, 0.003315, 0.002757, 0.001775, -0.003046, 0.001709]]},
 "free_energy": -595.61678353,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.584773004089843,
 "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", [7.26152, 13.22238, 12.53297, 5.22553, 10.91741, 10.9103, 5.61788, 12.03481, 9.02602, 9.41569, 14.79488, 10.97487, 7.77888, 13.59809, 7.46614, 10.59982, 14.82577, 9.09087, 11.3695, 10.98824, 14.63212, 9.50423, 8.52486, 14.67729, 8.63713, 9.00323, 5.36845, 8.89873, 6.71542, 13.53213, 7.69193, 6.41555, 7.49201, 11.55458, 10.01808, 5.32255, 14.12193, 11.08901, 12.50672, 9.81873, 5.76169, 7.49282, 14.08722, 8.86474, 12.50694, 12.22005, 6.40635, 12.54248, 13.46301, 10.03565, 6.46749, 12.73452, 6.78092, 7.45731, 7.8572, 12.48542, 11.95298, 6.29173, 10.7586, 10.65632, 7.16145, 11.15767, 11.83969, 7.65977, 12.62198, 9.43024, 8.22702, 13.03406, 10.56886, 6.56668, 11.55447, 9.33318, 9.58015, 13.74449, 10.66665, 8.29589, 12.80446, 8.04708, 9.2563, 12.29962, 12.54997, 7.60127, 10.05091, 12.51889, 7.1041, 10.72364, 8.17203, 6.57549, 9.26071, 10.58511, 10.20425, 12.97672, 11.82809, 8.04102, 11.41616, 7.45068, 7.21773, 8.83923, 11.78924, 8.81777, 10.03295, 13.29398, 7.13087, 9.28119, 8.16654, 9.62547, 11.13968, 13.30244, 9.77334, 13.05848, 8.16033, 10.4212, 13.76249, 9.34405, 6.85139, 8.571, 9.41795, 9.03108, 10.70843, 6.69841, 11.5681, 12.50674, 11.8342, 8.00392, 7.70177, 11.82988, 11.08583, 10.76667, 13.58082, 11.75816, 13.03031, 9.4159, 10.6911, 12.29986, 7.48164, 9.60497, 8.76234, 13.60074, 8.00854, 8.55142, 7.40681, 7.65938, 7.39324, 9.42002, 10.33297, 11.1363, 6.70709, 11.9926, 11.44736, 12.59381, 8.9358, 9.20459, 6.41957, 12.32965, 12.55419, 10.58266, 9.17074, 7.49187, 12.79065, 8.26523, 7.01544, 10.60508, 11.02852, 9.25482, 13.32724, 11.96206, 12.29121, 8.21133, 8.26822, 7.18991, 8.03534, 10.39134, 8.79254, 6.67305, 13.20067, 11.42265, 10.57982, 11.29813, 9.99554, 6.39922, 9.66929, 6.59606, 10.63826, 13.20701, 10.7801, 11.9643, 10.22658, 6.9422, 11.84189, 11.9466, 8.58447, 12.62314, 12.80078, 11.19156, 8.17011, 9.76712, 6.73033, 8.02628, 10.74627, 7.71216, 7.37662, 13.37383, 10.73096, 9.39445, 13.18198, 9.21299, 11.97314, 11.69816, 7.21288, 11.98401, 12.64034, 10.01699, 7.20883, 10.41106, 6.5775, 9.40091, 12.8383, 8.84333, 8.15773, 13.12977, 8.55372, 10.5983, 11.71616, 6.99504, 9.39305, 12.33052, 7.44077, 10.60597, 12.1281, 7.52599, 8.01579, 13.33997, 9.26626, 9.36119]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00010046333089021691, 0.00010860225879036868, 0.00010842749653484397, -1.6983146331528346e-05, -1.7850716100026118e-06, 5.891984614833796e-06]]},
 "unique_id": "60937311abedb6094c5d7ebfbcb922ac",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}