{"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": 20.602649588149404,
 "energy": -593.33968334,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.004747, -0.000326, -0.004532, -0.001091, 0.001276, 0.000867, -0.001425, 0.000481, -0.00314, -0.001119, -0.001552, 0.002017, -0.001095, 0.001864, -0.001333, -0.001445, -0.00326, -0.001842, 8.6e-05, 0.000987, -0.000238, -0.002769, 0.002171, 0.000354, -0.002166, -0.000471, 0.000569, -0.001237, -0.000576, -0.000707, 0.002403, 0.000602, 0.002766, 0.002801, 0.00103, -0.0013, -0.003023, 0.00256, 0.001695, 0.002575, 0.003181, -0.000123, 0.000266, 0.002866, 0.003706, -0.000316, 0.002667, 0.000833, -0.000544, -0.001225, 0.000172, 0.002685, -0.001129, -0.002152, 5.9e-05, 0.001766, 0.00015, -0.000867, 0.002438, -0.002312, -0.000953, -0.002781, 0.001736, 0.002285, 0.001213, -0.00077, 0.000817, 0.000611, 0.001676, -0.001983, -0.000417, -0.003118, -0.003052, 0.001265, -0.002184, -0.000822, 0.000462, 0.003801, -0.00234, -0.00133, 0.00173, -0.002872, -0.002034, -0.000749, -0.001284, 0.001089, -0.001616, 0.00185, 0.001418, -0.004095, 0.003512, -0.001115, 0.003174, 0.007393, 0.000853, -0.000797, 0.001205, -0.003698, -0.001422, -0.006684, -0.004027, -0.000385, -0.003073, -0.000791, -0.000728, -0.001208, 0.004421, 0.000469, -0.000332, 0.001143, 0.002658, 0.004429, 0.005047, 0.004228, -0.000683, -0.002814, 0.002681, 0.001288, -0.001028, 0.005232, 0.000221, 0.003226, -0.001231, -0.002404, 0.000259, -0.001127, 0.00113, -0.001016, 0.00157, -0.003786, 0.005511, -0.002094, -0.004768, -0.001355, -0.000152, 0.001366, 0.002653, -0.001196, 0.003709, -0.004559, -0.002745, 1.9e-05, 0.003987, -0.003671, 0.00032, -0.002758, -0.000186, -0.002203, -0.002256, 0.002036, -0.00157, 0.001993, 0.000864, 0.00063, 4.8e-05, 0.005754, -0.000649, -0.003696, 0.001849, 0.002433, -0.000339, 0.000117, -0.005079, -0.003206, 0.002249, 0.004277, -0.002033, 0.003395, -0.000626, -0.002301, -0.002418, 0.003846, -0.00522, -0.001636, 0.000344, 0.005128, 0.000937, 0.004254, -0.000535, -0.002106, 0.002904, 0.000615, -0.003342, -0.000456, -0.001137, 0.002644, -0.001236, 7.2e-05, -0.003763, 0.000759, -0.001783, -0.000254, 0.001136, -0.0019, -0.001781, 0.005484, -0.000503, -0.005336, -0.003513, -0.000472, 0.0021, -0.000966, -0.003112, 0.003343, -0.00091, -0.003261, -0.001023, -0.003635, -0.000646, 0.000584, 0.003801, 0.000604, 0.0045, -0.002563, 0.000877, 0.00056, 0.002599, 0.001609, -0.000854, -0.002306, -0.002895, 0.001564, -0.002979, -0.000332, -0.004151, 0.005068, 0.006366, 0.001017, 0.001768, 0.000154, 0.000269, -0.00244, -0.000627, -0.003256]]},
 "free_energy": -593.45126607,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 24.999350227376457,
 "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", [5.91339, 8.84795, 7.51353, 14.73067, 9.00397, 9.1953, 5.21893, 10.88262, 10.93807, 14.24555, 10.92917, 12.5108, 5.85577, 11.00744, 7.36545, 12.6343, 12.02305, 13.69593, 12.8064, 6.80134, 7.50047, 5.61874, 12.18446, 9.20768, 8.4476, 9.07365, 5.31453, 7.27914, 6.82657, 12.54707, 11.06822, 13.29774, 6.49338, 6.60549, 9.98058, 13.65247, 12.75895, 7.99274, 13.59713, 10.7248, 8.39924, 5.30994, 10.49978, 11.49573, 5.25874, 13.22875, 13.57322, 10.87137, 8.99176, 13.17082, 13.58818, 7.5731, 11.92972, 6.32249, 7.99298, 12.25702, 11.85953, 6.29197, 10.78461, 10.6935, 7.13966, 11.21485, 11.89585, 7.70982, 12.4996, 9.40443, 8.29428, 12.93043, 10.59628, 6.52635, 11.57492, 9.34845, 9.63797, 13.37812, 10.60433, 8.45843, 12.50202, 8.21328, 9.2003, 12.43128, 12.79137, 7.35648, 10.01951, 12.83566, 6.73454, 10.77737, 7.98049, 6.65985, 9.31432, 10.6411, 10.28158, 12.94283, 11.83789, 7.96184, 11.45228, 7.25465, 7.18585, 8.87765, 11.83841, 8.77759, 10.01252, 13.35372, 6.81353, 9.2208, 8.04666, 9.61621, 11.09742, 13.32361, 9.75132, 12.98, 8.17894, 10.36669, 13.39802, 9.39929, 6.82804, 8.60413, 9.43349, 9.10452, 10.60905, 6.76124, 11.58005, 12.56075, 11.86123, 7.89544, 7.55252, 11.97149, 11.01613, 10.64848, 13.28518, 11.74677, 13.02653, 9.38242, 10.80736, 12.49453, 7.20684, 9.63173, 8.83185, 13.29676, 8.03381, 8.55549, 7.39747, 7.7114, 7.49861, 9.43952, 10.39591, 11.23872, 6.33929, 12.14799, 11.53048, 12.83287, 8.90132, 9.17249, 6.32727, 12.50667, 12.74923, 10.66299, 9.27395, 7.70145, 12.62101, 8.27517, 6.99522, 10.60409, 11.02679, 9.28093, 13.29625, 11.97318, 12.31821, 8.18883, 8.45485, 7.5238, 8.17805, 10.40808, 8.68317, 6.33421, 13.24188, 11.4135, 10.63047, 11.05644, 9.97571, 6.8044, 9.64817, 6.58695, 10.60677, 13.27648, 10.75328, 12.00635, 10.2721, 6.97464, 11.84134, 12.15163, 8.43742, 12.78148, 12.72363, 11.15925, 8.25554, 9.81942, 7.04204, 8.15381, 10.76043, 7.61363, 7.35086, 13.40076, 10.73752, 9.4686, 13.0209, 9.26936, 11.83606, 11.61635, 7.35628, 11.84783, 12.21845, 9.96274, 7.61722, 10.40866, 6.58566, 9.41564, 12.75686, 8.84062, 8.21668, 13.18228, 8.60094, 10.6601, 11.76412, 6.94521, 9.42423, 12.33422, 7.40866, 10.62541, 12.13048, 7.49779, 8.04194, 13.66297, 9.23529, 9.38184]]},
 "stress": {"__ndarray__": [[6], "float64", [9.151300680370033e-05, 5.2353778547908764e-05, 9.075154269034257e-05, 1.3956014405474966e-05, -5.5736676494137506e-06, -1.7956821755166134e-05]]},
 "unique_id": "1b0d7a27f14512462cd4188cb3337447",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}