{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [16.625007736, 0.026585638, 0.074504396, 0.026346352, 17.132346279, -0.416010234, 0.074395117, -0.416700777, 15.798521356]]},
 "ctime": 20.60262123313364,
 "energy": -621.51360897,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.117259, -0.024119, -0.153181, -0.065815, 0.174073, 0.111069, -0.002362, 0.115163, 0.058307, 0.087694, 0.063856, 0.018254, 0.229121, -0.066064, -0.168987, 0.167221, -0.01414, -0.14264, -0.032989, -0.365819, -0.189138, -0.147169, 0.084164, 0.063218, 0.286153, 0.158546, -0.271651, -0.180937, 0.009735, 0.182071, -0.099353, -0.198218, 0.068187, -0.053167, -0.077005, 0.001228, 0.095572, -0.036166, -0.028403, 0.01892, 0.171363, -0.417198, 0.292516, -0.235184, -0.066869, 0.017936, -0.117745, -0.172249, 0.137771, 0.057441, -0.023514, -0.048707, 0.036314, -0.100479, -0.080534, 0.04522, 0.01486, 0.146259, 0.253865, -0.182628, -0.05471, -0.122383, -0.403411, 0.032429, 0.041351, 0.26259, -0.071378, 0.035107, -0.04411, -0.070935, 0.057345, -0.376229, -0.026319, 0.134062, -0.025685, 0.00102, 0.038765, 0.009257, -0.187375, 0.021101, -0.080616, -0.098465, 0.009356, -0.115283, -0.143017, -0.002777, -0.017471, -0.217515, 0.240105, 0.074395, -0.079006, 0.164212, 0.100954, 0.062223, 0.110299, 0.021962, 0.091951, 0.048342, 0.337846, 0.109636, -0.287113, 0.003352, -0.097779, 0.240446, 0.186428, 0.352107, -0.153413, -0.291296, -0.241584, -0.167581, 0.1525, -0.151594, -0.136172, -0.24965, -0.170478, -0.196882, -0.069121, 0.223766, 0.024739, 0.409163, -0.029198, -0.155537, -0.257021, 0.011133, 0.001268, -0.020807, -0.01576, 0.094397, 0.097019, 0.07227, 0.135838, 0.210475, -0.065028, -0.35636, -0.137657, -0.143201, -0.076232, 0.066515, -0.020574, 0.431926, -0.001682, -0.091136, -0.057343, 0.219608, -0.035815, 0.16375, 0.19969, 0.172429, 0.315745, 0.231313, 0.186655, 0.411078, -0.142395, 0.087208, -0.178629, -0.270463, -0.177606, -0.028077, 0.155855, 0.28089, -0.087437, 0.383797, 0.127826, -0.098854, -0.248596, 0.135834, -0.289057, -0.020125, 0.090836, 0.057925, -0.090989, 0.122556, 0.037418, -0.041862, 0.243436, 0.231725, -0.027798, -0.123828, -0.552063, -0.093997, -0.147667, 0.016611, 0.485664, -0.040182, -0.021513, -0.066779, -0.156029, 0.068681, -0.193526, 0.116306, -0.011962, 0.192069, -0.341062, 0.061642, -0.253983, -0.273849, 0.021623, -0.175177, 0.247141, 0.128182, -0.030844, 0.413598, 0.131344, -0.300748, -0.315674, -0.110304, 0.210519, -0.313064, -0.254971, -0.01462, 0.158926, 0.33573, -0.014826, -0.080609, -0.226443, 0.107605, -0.02502, 0.295413, 0.750739, -0.012196, -0.173659, -0.081437, -0.249949, -0.148495, 0.251748, 0.221501, -0.023924, -0.297428, -0.156998, -0.192204, 0.19318, -0.063144, 0.008494, -0.134711, -0.127158, 0.051257, 0.22294, -0.01982, -0.44901, 0.450793, -0.119377, -0.202781, 0.279959, 0.055975, -0.000176, 0.09746, 0.292482, 0.242506, -0.210736, 0.193096, 0.318291, -0.164574]]},
 "free_energy": -621.51360897,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.58262284741427,
 "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", [6.23503, 11.18625, 10.22112, 3.543, 8.98273, 8.17209, 4.39563, 9.98979, 9.94436, 5.18248, 11.90977, 6.37819, 5.74282, 12.49432, 8.43986, 3.91575, 10.13079, 6.44348, 7.92135, 13.24257, 8.49838, 4.99574, 8.20484, 11.15447, 8.20022, 11.83162, 10.29247, 4.31698, 6.62185, 9.77038, 6.986, 8.85552, 11.74743, 8.84322, 13.14155, 6.48776, 10.39178, 12.02313, 10.15023, 5.59894, 4.92141, 9.95571, 8.92941, 9.52751, 11.82498, 10.90997, 12.49451, 6.691, 7.57703, 6.72688, 12.28564, 10.96666, 10.22411, 11.36816, 11.80574, 11.77202, 8.46891, 7.41694, 4.85877, 11.10627, 9.7339, 7.47612, 12.36504, 12.55148, 9.42629, 10.03245, 11.07241, 6.11841, 11.22198, 12.58534, 7.28335, 10.19026, 6.32692, 10.58723, 9.2832, 4.64012, 8.98014, 8.07402, 5.22907, 9.51872, 9.40944, 5.83662, 11.11806, 6.77832, 6.39191, 11.65058, 8.13997, 4.92126, 9.79491, 6.74788, 7.94962, 12.17605, 8.18596, 6.89602, 10.81386, 5.75127, 7.72612, 10.12439, 9.38339, 5.6388, 8.23601, 10.26903, 5.53365, 8.95715, 5.63838, 5.01646, 7.53798, 8.04501, 8.56964, 11.34335, 9.35323, 6.58411, 9.64854, 4.98972, 5.28649, 6.99376, 9.41534, 7.0674, 8.25125, 10.81417, 5.56933, 7.58221, 5.65485, 8.06291, 9.06715, 10.09389, 8.19201, 11.23727, 5.79625, 8.78631, 12.10544, 6.86513, 5.29898, 6.87935, 6.90265, 7.5512, 8.96391, 4.22404, 10.08061, 11.13767, 9.57592, 6.22242, 5.71501, 9.49601, 9.29872, 9.00682, 10.90233, 10.31045, 11.60396, 6.93513, 9.20194, 10.50213, 5.10172, 7.86883, 6.97768, 11.25505, 6.58243, 6.84895, 4.92735, 6.15734, 5.69691, 6.91603, 8.90264, 9.4062, 4.28799, 10.48381, 9.8648, 10.44544, 7.55419, 7.52411, 4.17592, 10.9528, 11.09251, 8.29151, 7.54824, 5.70328, 10.396, 6.70981, 5.30011, 8.12472, 9.43262, 7.50805, 11.29506, 10.41497, 10.58471, 5.82497, 6.95148, 5.6928, 5.71281, 8.94049, 7.0767, 4.18459, 11.54735, 9.71153, 8.26131, 9.78225, 8.26489, 4.2541, 8.07333, 4.92185, 8.15172, 11.57637, 9.1066, 9.63385, 8.63911, 5.35917, 9.39952, 10.52197, 6.72739, 10.48387, 11.23497, 9.46987, 5.84389, 8.28159, 5.2447, 5.70282, 9.30128, 5.92629, 4.91389, 11.81821, 9.04324, 7.11605, 11.64329, 7.53462, 9.66749, 9.93044, 5.79931, 9.44757, 10.93642, 8.30204, 5.05434, 8.84811, 4.86265, 6.9732, 11.30009, 7.12837, 5.82352, 11.59795, 6.91225, 8.27215, 10.20228, 5.31932, 7.00838, 10.70729, 5.80868, 8.23325, 10.49163, 5.97335, 5.76513, 11.8398, 7.57542, 7.09186]]},
 "stress": {"__ndarray__": [[6], "float64", [-2.891067027109125e-05, -0.0007576567927909686, 0.0008100605034118846, 0.0007267238735630912, -0.00038905198834368116, -0.00031865400691284386]]},
 "unique_id": "ec2ede81964b68492c9c04082d4ea40d",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}