{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [15.849456817, 0.460365452, -0.535547016, 0.461305991, 15.719628206, 0.150001696, -0.537262209, 0.151157419, 15.152609337]]},
 "ctime": 20.602622727548834,
 "energy": -620.7695449,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.09112, -0.063445, -0.326391, 0.149173, 0.496039, -0.146099, -0.139682, 0.353793, -0.137426, -0.082232, -0.096266, 0.110898, -0.167432, -0.091091, -0.039771, 0.106837, 0.278758, -0.016653, -0.364381, 0.022309, -0.253736, -0.341777, 0.062783, 0.341052, -0.249403, -0.135312, -0.246824, -0.010048, 0.284564, 0.01275, -0.080813, 0.032052, 0.44575, -0.09854, 0.408142, -0.007525, -0.168557, -0.320741, -0.163072, 0.137302, 0.210255, -0.17172, -0.113309, -0.146231, 0.342034, -0.40871, 0.179453, 0.082106, -0.025991, -0.01308, 0.437059, -0.112657, 0.093316, 0.045874, 0.066037, -0.089394, -0.39882, -0.375399, -0.216868, 0.221468, 0.242674, 0.090456, 0.01265, -0.081609, 0.201625, -0.361811, 0.141395, 0.022232, -0.012696, -0.195987, -0.182224, 0.203903, 0.07039, 0.198573, 0.065141, -0.252737, -0.360649, 0.144148, -0.28242, -0.353963, 0.297591, -0.28335, 0.232847, -0.103203, 0.224602, 0.351029, 0.283499, -0.15015, 0.171297, -0.079955, 0.343782, 0.085613, 0.308392, -0.082225, 0.036169, -0.527245, 0.170019, 0.097576, -0.006987, -0.067112, -0.309358, -0.01599, 0.196622, 0.089266, -0.335092, 0.003086, -0.287019, 0.347818, 0.079161, 0.207349, 0.036629, -0.018046, 0.166129, -0.3047, 0.292946, -0.502319, 0.041343, 0.287637, 0.223936, 0.316508, -0.194618, -0.364808, 0.025478, 0.207516, 0.396864, 0.302716, 0.022891, 0.093984, -0.40542, 0.209646, -0.045383, -0.362769, -0.0576, -0.078871, 0.1946, 0.077254, -0.286047, 0.047931, -0.010768, 0.35653, -0.153562, -0.104693, 0.137196, -0.046003, 0.03614, 0.052258, 0.140964, 0.151433, -0.233864, -0.338185, 0.377257, -0.244644, 0.113798, -0.004497, -0.007079, 0.11397, 0.292689, -0.60085, 0.30296, 0.013265, 0.040107, -0.151757, 0.066478, -0.070253, -0.339099, -0.061755, 0.325035, -0.003798, 0.016828, 0.355685, -0.311609, 0.084817, -0.319361, 0.116323, -0.126783, -0.127903, -0.191937, 0.135032, -0.141084, 0.023598, 0.147044, -0.270415, -0.115374, 0.164065, -0.629033, 0.309812, 0.078216, 0.183893, -0.278001, -0.174619, -0.129495, -0.060795, 0.460574, 0.148868, -0.072548, 0.023211, -0.174408, 0.246022, 0.47327, -0.072701, -0.176663, -0.066766, 0.123282, -0.140658, 0.263617, 0.027726, 0.447196, -0.338678, 0.069815, 0.363593, 0.241571, 0.372297, 0.20208, -0.252389, -0.017247, -0.183702, -0.11686, -0.104067, -0.520016, 0.247489, 0.047389, 0.118281, -0.311464, -0.119069, -0.056464, 0.142239, -0.409335, 0.329898, -0.074805, 0.351276, 0.681521, -0.233105, -0.008989, -0.361933, -0.194063, -0.150469, 0.197328, -0.234417, 0.002153, 0.128583, -0.218154, -0.05207, -0.031811, 0.282967, -0.20215, 0.02877, 0.243125, 0.124023, -0.712667, 0.049431, 0.22361, 0.138457]]},
 "free_energy": -620.7695449,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 24.98790388462627,
 "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", [5.27887, 11.28355, 10.03419, 3.17286, 9.00914, 8.07328, 4.04301, 9.60673, 9.90855, 4.90416, 11.82562, 6.43139, 5.7383, 12.39167, 8.24066, 3.58324, 10.09781, 6.3483, 7.85571, 12.63697, 8.62244, 6.04537, 11.45199, 4.61917, 7.25127, 11.30577, 10.85762, 4.52666, 7.70553, 10.63927, 4.39595, 9.27262, 4.48746, 3.38955, 6.92674, 8.24024, 6.23983, 7.83985, 11.95491, 4.09347, 7.13357, 4.53751, 7.36185, 9.63155, 12.04963, 7.92848, 12.38394, 4.86875, 8.87146, 12.85813, 6.67907, 3.49669, 6.13637, 6.29806, 9.325, 8.73835, 12.16258, 9.5274, 11.31382, 3.86063, 4.78346, 4.40676, 6.2026, 8.65771, 9.54318, 2.78542, 10.75085, 9.98358, 10.95798, 5.57722, 3.8702, 8.19047, 5.83083, 10.58351, 9.38494, 4.25523, 8.90285, 7.90479, 4.9043, 9.34628, 9.28674, 5.54766, 10.97343, 6.69066, 6.16101, 11.39513, 8.05496, 4.57283, 9.70618, 6.61553, 7.70895, 11.6674, 8.10072, 6.51132, 10.87344, 5.44468, 7.20457, 10.44031, 10.15436, 5.36263, 8.01931, 9.98493, 5.01558, 8.91548, 5.34201, 4.34759, 7.32121, 7.84402, 8.24416, 10.7341, 9.14989, 6.36336, 9.47205, 4.98784, 5.31153, 6.97586, 8.91623, 6.6094, 7.96764, 10.92351, 4.90101, 7.36085, 5.2525, 7.52042, 9.22295, 11.05202, 7.95746, 11.44468, 5.42866, 8.57905, 11.80234, 6.81021, 4.49396, 6.53415, 6.51372, 7.23934, 8.84468, 4.20286, 9.52739, 10.38033, 9.25161, 5.99543, 5.82616, 8.9917, 9.03108, 8.68108, 11.09, 9.83194, 10.96521, 6.87013, 9.06195, 10.63111, 4.61053, 7.56944, 6.8595, 10.58454, 6.16884, 6.70949, 4.7792, 5.43015, 5.24122, 6.53859, 8.61598, 9.33458, 3.85896, 10.11951, 9.42273, 10.24995, 7.18933, 7.38895, 4.14364, 10.34666, 10.46061, 8.05078, 7.19903, 5.77475, 9.81503, 6.07075, 4.80135, 7.8911, 8.91291, 7.25278, 10.66054, 10.10512, 10.31444, 5.6475, 6.47948, 5.53617, 5.5007, 8.52773, 6.91961, 4.11308, 11.17694, 9.31022, 8.06267, 9.41642, 8.04341, 4.06544, 7.5772, 4.54482, 7.89111, 10.99979, 8.59836, 9.30009, 8.16324, 5.02548, 9.09758, 9.90546, 6.54653, 9.95618, 10.89232, 9.14234, 5.62246, 7.79877, 5.0615, 5.53993, 8.83489, 5.75614, 4.85054, 11.45135, 8.65041, 6.84409, 11.00863, 7.22674, 9.26408, 9.51552, 5.43674, 9.15935, 10.58991, 7.97276, 4.77648, 8.37779, 4.53474, 6.77305, 10.92784, 6.78359, 5.56305, 11.25495, 6.51047, 8.0151, 9.77615, 4.94558, 6.80355, 10.34561, 5.38704, 7.9949, 10.05171, 5.68079, 5.60285, 11.50225, 7.20879, 6.8172]]},
 "stress": {"__ndarray__": [[6], "float64", [-0.0010702752603790834, -0.0015613384738762004, -0.0012353819012860734, -0.0002355483129017083, -0.00040964896845909583, 0.0009750173480998531]]},
 "unique_id": "cfb26954a8909da983c231dad1191497",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}