{"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": 20.6361733186092,
 "energy": -596.4722363,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.001397, 0.003357, 0.004635, -0.001226, 0.00323, -0.002752, -0.007534, 0.000218, -0.00255, -0.002922, -0.004565, 0.002052, -0.001654, -0.001845, 0.001656, -0.000633, 0.004959, -0.00139, 0.002922, -0.004565, -0.002052, 0.001654, -0.001845, -0.001656, 0.00205, -0.004256, -0.001979, -0.001397, 0.003357, -0.004635, 0.001154, -0.002138, 0.005542, 0.002832, -0.000338, -0.00014, 0.007534, 0.000218, 0.00255, -0.002832, -0.000338, 0.00014, 0.001226, 0.00323, 0.002752, 0.000633, 0.004959, 0.00139, -0.001154, -0.002138, -0.005542, -0.00205, -0.004256, 0.001979, -0.00205, 0.001249, 0.000227, 0.001662, 0.003306, -0.00416, 0.000141, 0.001778, 0.003998, 0.002001, -0.003077, 0.001194, 0.003228, 0.001498, 0.000435, 0.005531, -0.000386, -0.001911, -0.002407, -0.000217, -0.000712, 0.001, 0.000588, 0.00524, 0.002848, -0.004266, 0.002735, -0.00251, -0.001557, -0.002558, 0.000633, -0.002544, 0.000776, 0.001083, -0.001892, -0.002324, -0.00282, -0.001355, -0.003245, 0.000169, 0.003399, 0.005485, 5.7e-05, 0.001499, 0.00701, -0.001476, -0.002105, -0.001311, 0.000565, -0.002674, 0.002772, 0.000895, -0.002939, -0.005456, 0.00282, -0.001355, 0.003245, 0.002407, -0.000217, 0.000712, 0.000738, -0.003658, 0.004331, 0.000172, 0.00193, 0.004337, -0.001, 0.000588, -0.00524, -0.000696, 0.000347, -0.003868, -0.000172, 0.00193, -0.004337, -0.003228, 0.001498, -0.000435, -0.002848, -0.004266, -0.002735, -0.0061, 0.005256, -0.002099, 0.006537, 0.003124, -0.003222, 0.003548, 0.003565, 0.003077, -0.000895, -0.002939, 0.005456, -0.000169, 0.003399, -0.005485, 0.006055, -0.002342, 0.00285, -0.002001, -0.003077, -0.001194, -0.004602, -0.001557, -0.000751, 0.001579, 0.002458, 0.001786, -0.006055, -0.002342, -0.00285, 0.00205, 0.001249, -0.000227, 0.001383, 0.003206, -0.000193, 0.0061, 0.005256, 0.002099, -0.005531, -0.000386, 0.001911, 0.001476, -0.002105, 0.001311, 0.001822, -0.004001, -0.000106, -0.000633, -0.002544, -0.000776, 0.003479, 0.002748, -0.000145, -0.006537, 0.003124, 0.003222, -0.000141, 0.001778, -0.003998, -0.003479, 0.002748, 0.000145, 0.004602, -0.001557, 0.000751, -0.001662, 0.003306, 0.00416, -0.000565, -0.002674, -0.002772, -0.001383, 0.003206, 0.000193, 0.00251, -0.001557, 0.002558, -0.001822, -0.004001, 0.000106, -5.7e-05, 0.001499, -0.00701, -0.000738, -0.003658, -0.004331, -0.001579, 0.002458, -0.001786, -0.003548, 0.003565, -0.003077, 0.000696, 0.000347, 0.003868, -0.001083, -0.001892, 0.002324]]},
 "free_energy": -596.47639949,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.336416298220826,
 "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", [7.20694, 13.32951, 12.58873, 5.18099, 10.90752, 10.66705, 5.98176, 11.61546, 12.60982, 7.68775, 14.272, 10.63915, 9.14322, 13.21558, 13.66616, 6.71927, 9.79056, 13.62927, 12.31225, 14.272, 9.36085, 10.85678, 13.21558, 6.33384, 7.40141, 5.93653, 10.85674, 12.79306, 13.32951, 7.41127, 9.43538, 5.05312, 10.88925, 10.39372, 5.87713, 12.71215, 14.01824, 11.61546, 7.39018, 9.60628, 5.87713, 7.28785, 14.81901, 10.90752, 9.33295, 13.28073, 9.79056, 6.37073, 10.56462, 5.05312, 9.11075, 12.59859, 5.93653, 9.14326, 7.79646, 12.58413, 12.0416, 6.27951, 10.77742, 10.64496, 6.86054, 11.29684, 12.03651, 7.67893, 12.51981, 9.43106, 8.13385, 13.25692, 10.6476, 6.8463, 11.43213, 9.41789, 9.64509, 13.39854, 10.59325, 8.44514, 12.55508, 8.18832, 9.19123, 12.51299, 12.81279, 7.3888, 9.99631, 12.7696, 7.04883, 10.70775, 8.15915, 6.61606, 9.28739, 10.58513, 10.24274, 12.9941, 11.81261, 8.02946, 11.41717, 7.38794, 7.25135, 8.85677, 11.77552, 8.7984, 10.0397, 13.25786, 7.032, 9.307, 8.14917, 9.59901, 11.15039, 13.29602, 9.75726, 12.9941, 8.18739, 10.35491, 13.39854, 9.40675, 6.84989, 8.60335, 9.40548, 9.00211, 10.71126, 6.6686, 11.55486, 12.55508, 11.81168, 8.07166, 7.74433, 11.79372, 10.99789, 10.71126, 13.3314, 11.86615, 13.25692, 9.3524, 10.80877, 12.51299, 7.18721, 9.63254, 8.84179, 13.27928, 8.02779, 8.5821, 7.41253, 7.73357, 7.44068, 9.38877, 10.40099, 11.15039, 6.70398, 11.97054, 11.41717, 12.61206, 8.98379, 9.27612, 6.65989, 12.32107, 12.51981, 10.56894, 9.26224, 7.71872, 12.56068, 8.12987, 6.74641, 10.65013, 11.01621, 9.27612, 13.34011, 12.20354, 12.58413, 7.9584, 8.42931, 7.41865, 8.20931, 10.36746, 8.84179, 6.72072, 13.1537, 11.43213, 10.58211, 11.2016, 10.0397, 6.74214, 9.58338, 6.11908, 10.67822, 12.95117, 10.70775, 11.84085, 10.26254, 6.71009, 11.99578, 11.97221, 8.5821, 12.58747, 13.13946, 11.29684, 7.96349, 9.73746, 6.71009, 8.00422, 10.73776, 7.71872, 7.43932, 13.72049, 10.77742, 9.35504, 12.968, 9.307, 11.85083, 11.57069, 7.41865, 11.79069, 12.6112, 9.99631, 7.2304, 10.41662, 6.11908, 9.32178, 12.74865, 8.85677, 8.22448, 13.15011, 8.60335, 10.59452, 11.87013, 6.74641, 9.34987, 12.26643, 7.44068, 10.61123, 11.92834, 7.74433, 8.20628, 13.38394, 9.28739, 9.41487]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00010873957199113815, 0.00012147849211706585, 0.0001350288084293584, -0.0, 7.964165644627038e-06, -0.0]]},
 "unique_id": "a67191c0e5a8c2cae40ccd2a0ed36bad",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}