{"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": 20.6355476532681,
 "energy": -663.08165295,
 "forces": {"__ndarray__": [[96, 3], "float64", [0.002982, -0.001172, 0.001897, -0.004719, -0.001103, 0.006615, 0.006937, 0.002281, -0.002699, -0.001139, 0.001944, 0.00248, -0.014822, 0.00196, -0.003163, 0.000114, 0.005852, 0.012225, -0.000161, 0.003735, 0.00729, -0.003248, -0.002059, -0.001591, -0.004459, 0.005294, -0.000896, 0.007943, -0.005587, 0.00187, 0.002274, -0.003987, 0.001064, -0.007783, -0.008545, 0.003142, -0.003214, 0.007868, 0.002654, 0.003233, 0.012704, -0.001596, 0.001312, 0.000552, -0.004561, -0.005747, -8e-06, -0.003319, 0.007474, 0.002092, 0.004912, -0.003653, -0.00405, -0.003638, 0.001407, -0.007387, -0.003924, -0.00376, -0.005173, -0.001714, -0.002597, 0.000311, 0.000818, 0.000392, -0.001774, -0.008554, -0.005528, -0.002179, -0.007616, -0.007295, 0.002891, -0.001977, -0.00029, -0.004375, 0.001644, 0.001415, -0.008062, -0.001737, 0.000278, -0.002063, -0.000456, 0.00202, 0.003468, -0.001802, 0.006167, 0.004237, 0.002777, -0.006175, 0.000156, 0.004186, -0.001404, 0.002982, 0.000196, 0.004114, 0.006543, -0.001317, 0.011083, -0.007599, 0.000204, 0.007526, 0.003443, -0.005397, 0.002245, 0.002613, -0.000289, 0.004118, -0.003996, -0.011222, 0.019952, 0.005167, 0.010795, 0.003895, -0.007241, -0.003688, -0.000122, -0.000622, -1.6e-05, 0.003502, -0.005483, -0.005134, -0.006189, -0.005752, -0.003378, -0.007069, 0.012401, 0.000524, 0.007102, 0.002856, 0.005087, -0.004394, 0.003215, 0.004426, -0.011302, -0.000661, -0.022595, 0.007544, -0.003576, 0.007341, 0.003248, 0.008556, 0.000128, -0.006383, 0.00127, -0.004469, 0.002201, 0.001802, 0.006169, 0.004922, 0.003625, -0.003105, -0.005752, -0.003708, -0.004515, 0.007592, -0.00121, -0.010454, -0.029265, 0.018394, 0.019981, -0.00647, -0.002427, 0.013246, -0.004131, -0.003182, -0.006646, 0.008186, 0.005144, -0.007779, -0.002276, -0.005966, -0.002049, 0.002248, -0.00658, -0.006024, 0.001934, 0.003252, 0.002256, 0.00165, -0.014618, 0.000382, -0.001983, -0.005179, 0.006171, 0.011415, 0.00074, -0.004153, 0.004442, 0.001064, 0.002483, -0.00429, 0.002458, 0.002272, 0.030148, -0.008795, -0.022523, 0.007003, 0.007989, -0.008898, -0.002945, 0.003711, 0.003025, -0.016696, 0.019567, 0.015734, 0.00236, 0.005322, 0.00651, -0.007157, -0.006474, 0.001883, 0.00383, 0.000447, 0.000229, 0.008791, -0.014232, 0.006025, -0.004188, -0.009602, -0.000915, -0.006473, -0.000368, 0.005046, -0.011627, -0.000869, 0.011683, -0.00731, -0.005996, -0.007255, -0.000296, 0.0005, -0.006031, -0.010409, 0.002557, -0.005609, -0.013406, 0.007475, 0.0082, 0.012664, -0.021612, -0.011448, 0.006392, -0.004885, -0.001849, 0.007822, 0.003994, -0.000236, -0.007692, -0.000597, -0.003148, 0.006734, 0.003206, -0.000693, 0.002258, 0.003491, 0.009888, -0.003861, 0.012653, 0.009949, -0.008766, -0.01098, -0.006198, -0.008362, -0.000605, 0.003021, 0.003951, -0.00092, 0.001566, 0.029664, 0.011436, 0.000905, 0.002954, 0.00065, -0.000616, 0.009803, 0.008397, 0.010093, -0.030448, -0.007711, -0.009102, 0.010529, 0.007817, 0.014391, 0.004437, -0.002318, -0.003673, -0.006952, -0.008796, -0.00372]]},
 "free_energy": -663.08165295,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.582784345501597,
 "numbers": {"__ndarray__": [[96], "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, 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__": [[96, 3], "float64", [6.86253, 13.72322, 9.39752, 5.48052, 12.0084, 9.27556, 7.71774, 13.70613, 7.41857, 5.78807, 10.8516, 7.41674, 5.34995, 9.03273, 10.99888, 10.18682, 14.20896, 12.40981, 7.18881, 12.04792, 6.30701, 8.03729, 9.98025, 14.49441, 9.37912, 11.72466, 14.6489, 9.66247, 14.33164, 7.38382, 10.46244, 14.93799, 9.28409, 5.67058, 8.04727, 9.00021, 8.58119, 10.99488, 5.2456, 12.29368, 13.43113, 12.55382, 7.09458, 6.83679, 12.58088, 11.50293, 11.11369, 14.6512, 12.55275, 14.22317, 9.2179, 11.10165, 13.29756, 6.32309, 9.4367, 8.36133, 14.75429, 10.53548, 11.66112, 5.23834, 8.40255, 8.86221, 5.50336, 8.92954, 6.69112, 13.69162, 7.5249, 5.7204, 10.72258, 11.41027, 8.96898, 14.76221, 12.92507, 12.98402, 7.43062, 10.51273, 8.23996, 5.35137, 11.87231, 9.98221, 5.35264, 9.65087, 5.14363, 10.60205, 10.33214, 5.66029, 12.58072, 12.82982, 7.97904, 13.67712, 14.12213, 9.30341, 12.57152, 12.27327, 6.2969, 12.61679, 13.87326, 8.57431, 7.44577, 14.54927, 8.08273, 10.78441, 13.27716, 6.27638, 10.71548, 12.62689, 6.70487, 7.59208, 8.19746, 12.18094, 11.7352, 6.6227, 10.7245, 10.56389, 7.33818, 11.06247, 11.67134, 7.4958, 12.82105, 9.32804, 8.43116, 12.87766, 10.48055, 6.5011, 11.59155, 9.33165, 9.67706, 13.3838, 10.50359, 8.23223, 12.89043, 7.94287, 9.26924, 12.25876, 12.5713, 7.75559, 9.89457, 12.42972, 6.74124, 10.8136, 7.97466, 6.38725, 9.22775, 10.66045, 10.24228, 13.21993, 11.91235, 7.80513, 11.61862, 7.10712, 7.32418, 8.79529, 11.78562, 8.67634, 9.95932, 13.59392, 7.12536, 9.40181, 8.21134, 9.57135, 11.26032, 13.66595, 9.73946, 13.38623, 7.93593, 10.4196, 13.83367, 9.30279, 6.62383, 8.50156, 9.33775, 8.89953, 10.82001, 6.28157, 11.6872, 12.72512, 11.95155, 7.84354, 7.42824, 12.02319, 11.07651, 10.77057, 13.69089, 11.91765, 13.32556, 9.31444, 10.82179, 12.58429, 7.10924, 9.5922, 8.69027, 13.71845, 8.1203, 8.76693, 7.56707, 7.69553, 7.4303, 9.4337, 10.40333, 11.30602, 6.26819, 11.85829, 11.3377, 12.56668, 8.90551, 9.25494, 6.40475, 12.29875, 12.5739, 10.57017, 9.1766, 7.40127, 12.89211, 8.10628, 6.65712, 10.66621, 11.09494, 9.18008, 13.7324, 12.11694, 12.48224, 7.99187, 8.47224, 7.5778, 8.32544, 10.39488, 8.7285, 6.33421, 12.95947, 11.38401, 10.58188, 11.32351, 10.00903, 6.31159, 9.63294, 6.24587, 10.6714, 12.71065, 10.6325, 11.80163, 10.26905, 6.6229, 12.05653, 12.18471, 8.3922, 12.89076, 12.56194, 11.08097, 8.20231, 9.82488, 7.17809, 8.26371, 10.73845, 7.74375, 7.42871, 13.20779, 10.61919, 9.42083, 13.17359, 9.2364, 12.00986, 11.78045, 7.10723, 12.06458, 12.28703, 10.0092, 7.43727, 10.4221, 6.75048, 9.51897, 12.96857, 8.78776, 8.04975, 13.50841, 8.43693, 10.68676, 11.7284, 7.074, 9.49721, 12.59408, 7.14509, 10.69735, 12.0905, 7.53844, 8.08846, 13.37571, 9.269, 9.43143]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00010048205541759456, 9.366008594300417e-05, 0.00014200057412297, -2.6944594896438027e-05, 2.2950029055872738e-05, -1.3737561586069049e-05]]},
 "unique_id": "921c5ca0c189ad2f462854264161d2b8",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}