{"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": 20.635553202202857,
 "energy": -651.68874734,
 "forces": {"__ndarray__": [[96, 3], "float64", [-0.010362, -0.007267, 0.00316, 0.003152, 0.007, 0.007217, -0.000951, 0.00158, -0.011518, -6.5e-05, -0.002296, 0.000774, -0.002665, 0.000103, -0.00507, 0.002009, 0.001118, 0.001262, -0.007787, 0.014098, -0.007985, -0.017457, -0.003249, 0.000287, -0.007418, 0.008008, 0.015274, -0.009422, 0.000993, 0.000868, -0.003627, 0.010619, -0.000909, -0.005346, 0.004702, 0.006345, 0.003157, -0.001422, -8.1e-05, -0.001341, -0.002942, -8.8e-05, 0.000172, -0.002712, 0.001669, 0.000762, 0.00181, 0.002634, -0.006763, -0.007514, 0.00694, -0.002714, 0.003417, -0.006743, 0.006763, 0.007514, -0.00694, 0.002714, -0.003417, 0.006743, -0.000762, -0.00181, -0.002634, -0.003157, 0.001422, 8.1e-05, -0.000172, 0.002712, -0.001669, 0.001341, 0.002942, 8.8e-05, 0.009422, -0.000993, -0.000868, 0.005346, -0.004702, -0.006345, 0.003627, -0.010619, 0.000909, 0.017457, 0.003249, -0.000287, 0.007418, -0.008008, -0.015274, 0.007787, -0.014098, 0.007985, 0.002665, -0.000103, 0.00507, -0.002009, -0.001118, -0.001262, 6.5e-05, 0.002296, -0.000774, 0.010362, 0.007267, -0.00316, 0.000951, -0.00158, 0.011518, -0.003152, -0.007, -0.007217, -0.006457, 0.005541, 0.011239, -0.013724, -0.002274, 0.002889, 0.007497, 0.009636, -0.006878, -0.002225, 0.011239, -0.002451, -0.003958, -0.010087, -0.006585, 0.00474, -0.001035, 0.013929, 0.004766, -0.010569, 0.003881, -0.000158, -0.003318, -0.002057, 0.004906, -0.002977, 0.000492, -9.3e-05, -0.005398, -0.013707, 0.011292, -0.002041, 0.001837, 0.002648, -0.000636, 0.000913, 0.00132, 0.007284, -0.006729, -0.004223, -0.004494, -0.0064, -0.000675, 0.002051, 0.010626, 0.002609, 0.006554, 0.015435, -0.012928, -0.005957, -0.003314, -0.008424, -0.011582, 0.008791, 0.022207, 0.009631, -0.003753, 0.002878, 0.012323, -0.009001, 0.007348, -0.022427, -0.018789, 0.00524, 0.008356, 0.001282, -0.004289, 0.002185, 0.009652, -0.009633, -0.005764, -0.011375, 0.006833, -0.001546, 0.01813, -0.005208, -0.001024, -0.006243, -0.003438, 0.016594, 0.000344, 0.005911, 0.005497, -0.006731, 0.004469, -0.003203, 0.00967, -0.021798, 0.006439, -0.01317, -0.005911, -0.005497, 0.006731, -0.004469, 0.003203, -0.00967, -0.006833, 0.001546, -0.01813, 0.021798, -0.006439, 0.01317, 0.003438, -0.016594, -0.000344, 0.005208, 0.001024, 0.006243, -0.00524, -0.008356, -0.001282, 0.009633, 0.005764, 0.011375, 0.004289, -0.002185, -0.009652, 0.008424, 0.011582, -0.008791, -0.007348, 0.022427, 0.018789, -0.002609, -0.006554, -0.015435, -0.002878, -0.012323, 0.009001, 0.012928, 0.005957, 0.003314, -0.022207, -0.009631, 0.003753, 0.004223, 0.004494, 0.0064, 0.000675, -0.002051, -0.010626, -0.00132, -0.007284, 0.006729, -0.004906, 0.002977, -0.000492, -0.002648, 0.000636, -0.000913, -0.011292, 0.002041, -0.001837, 0.000158, 0.003318, 0.002057, 9.3e-05, 0.005398, 0.013707, -0.004766, 0.010569, -0.003881, -0.007497, -0.009636, 0.006878, -0.00474, 0.001035, -0.013929, 0.003958, 0.010087, 0.006585, 0.002225, -0.011239, 0.002451, 0.006457, -0.005541, -0.011239, 0.013724, 0.002274, -0.002889]]},
 "free_energy": -651.68887008,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.165095408292427,
 "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", [6.22212, 11.72286, 12.60675, 7.56426, 14.2049, 10.66115, 5.51643, 11.84061, 9.25598, 7.95605, 13.77028, 7.5872, 8.84712, 13.00459, 13.71914, 5.2134, 9.0215, 10.57412, 10.26758, 14.34642, 12.41484, 7.08945, 11.91181, 6.43913, 6.08814, 8.50008, 12.69152, 8.1488, 10.22372, 14.37904, 5.88627, 9.27105, 7.721, 10.18985, 14.69951, 9.26299, 8.60579, 10.784, 5.32615, 12.34371, 13.64329, 12.37304, 7.41853, 6.75759, 12.68631, 12.44383, 14.22901, 9.37517, 9.32345, 8.24779, 14.54974, 7.32694, 8.18291, 6.28838, 10.67655, 11.75221, 5.45026, 12.67306, 11.81709, 13.71162, 7.55617, 5.77099, 10.62483, 11.39421, 9.216, 14.67385, 12.58147, 13.24241, 7.31369, 7.65629, 6.35671, 7.62696, 11.8512, 9.77628, 5.62096, 9.81015, 5.30049, 10.73701, 14.11373, 10.72895, 12.279, 12.91055, 8.08819, 13.56087, 13.91186, 11.49992, 7.30848, 9.73242, 5.65358, 7.58516, 11.15288, 6.99541, 6.28086, 14.7866, 10.9785, 9.42588, 12.04395, 6.22972, 12.4128, 13.77788, 8.27714, 7.39325, 14.48357, 8.15939, 10.74402, 12.43574, 5.7951, 9.33885, 8.11465, 12.30662, 11.77437, 6.6587, 10.6675, 10.64673, 7.03845, 11.26677, 11.95513, 7.68363, 12.50284, 9.35453, 8.13671, 13.22122, 10.60021, 6.59324, 11.48956, 9.38483, 9.62756, 13.26043, 10.65576, 8.29868, 12.79579, 8.02001, 9.20041, 12.48607, 12.79133, 7.64482, 9.96966, 12.37711, 7.24234, 10.75334, 8.26093, 6.31532, 9.20894, 10.64504, 10.24704, 13.30754, 12.01023, 7.85243, 11.57954, 7.18119, 6.91741, 8.73065, 11.98287, 8.69937, 10.01168, 13.42464, 6.93454, 9.3052, 8.11985, 9.68661, 11.11818, 13.16828, 9.78383, 12.86069, 8.22108, 10.35321, 13.59828, 9.40281, 6.97952, 8.59835, 9.44792, 8.9376, 10.77241, 6.38024, 11.73626, 12.80675, 11.98218, 7.86818, 7.47946, 11.98069, 10.94824, 10.6831, 13.18725, 11.8799, 13.28003, 9.37404, 10.72365, 12.21298, 7.52916, 9.57121, 8.72884, 13.58784, 7.8809, 8.47832, 7.19627, 7.75863, 7.51473, 9.41797, 10.42879, 11.27116, 6.41216, 12.1191, 11.52168, 12.80373, 9.05176, 9.3169, 6.81275, 12.24137, 12.48527, 10.58203, 9.27635, 7.78702, 12.47084, 8.1201, 6.71997, 10.62596, 11.0624, 9.22759, 13.61976, 12.13182, 12.52054, 8.01931, 8.26374, 7.19325, 8.01782, 10.31339, 8.88182, 6.83172, 13.02048, 11.40165, 10.55208, 11.30063, 9.98832, 6.57536, 9.64679, 6.40172, 10.59719, 13.06546, 10.6948, 11.88015, 10.21617, 7.13931, 11.77892, 12.14757, 8.42046, 12.81881, 13.08259, 11.26935, 8.01713, 9.75296, 6.69246, 7.98977, 10.79959, 7.51393, 7.20867, 13.68468, 10.79106, 9.35496, 12.75766, 9.24666, 11.73907, 11.70132, 7.20421, 11.97999, 12.35518, 10.03034, 7.62289, 10.37244, 6.73957, 9.34424, 12.96155, 8.73323, 8.04487, 13.40676, 8.51044, 10.61517, 11.86329, 6.77878, 9.39979, 12.31637, 7.49716, 10.64547, 11.88535, 7.69338, 8.22563, 13.3413, 9.3325, 9.35327]]},
 "stress": {"__ndarray__": [[6], "float64", [6.596650995146017e-05, 9.611924053860217e-05, 6.65844193549226e-05, 2.2843923400732724e-06, 1.704556142278718e-05, -5.174211065357221e-06]]},
 "unique_id": "d6ffb2c439b9ea0bf69d2577b3ecc416",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}