{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [18.15266831, -0.013990289, 0.224163046, -0.013916023, 18.185929767, -0.025035657, 0.224400148, -0.024960154, 17.806535029]]},
 "ctime": 20.60264654009376,
 "energy": -597.23542023,
 "forces": {"__ndarray__": [[78, 3], "float64", [-0.077318, 0.08281, -0.184212, -0.153461, 0.076099, -0.067734, 0.10223, 0.177275, -0.176242, -0.010652, 0.114817, 0.143207, -0.147776, 0.165884, 0.227183, -0.231981, -0.000156, -0.033764, -0.111508, -0.073694, -0.104599, -0.123295, -0.219619, -0.060552, 0.068033, 0.129925, 0.014606, 0.056043, -0.037074, -0.007151, 0.120702, 0.319987, -0.105727, -0.062264, 0.08739, -0.06411, 0.223434, 0.142346, 0.099237, -0.041362, 0.099337, -0.04335, -0.002235, 0.029817, 0.040642, 0.092864, 0.147196, -0.012828, -0.010713, 0.1103, 0.02228, -0.026679, -0.11307, -0.069796, 0.292018, 0.157131, 0.113269, 0.281376, -0.149425, 0.311308, -0.022766, -0.218227, 0.094358, 0.056052, -0.012666, 0.11108, -0.122552, 0.144142, -0.144001, -0.212431, -0.324927, 0.037735, 0.083141, 0.002024, -0.241867, -0.044029, 0.415167, 0.315328, 0.10009, -0.264163, 0.04624, 0.274728, 0.236263, 0.12105, 0.09447, 0.265619, -0.268742, 0.084309, -0.344402, -0.25858, -0.271873, 0.230459, 0.114504, -0.22227, -0.363413, -0.139538, -0.241948, 0.045136, -0.131788, 0.127312, -0.118209, 0.227488, 0.170972, -0.153505, 0.107078, 0.034861, 0.026492, 0.063318, -0.386316, -0.09738, -0.18685, 0.894486, 0.006787, 0.060985, -0.025966, 0.141561, 0.330086, 0.150133, 0.135057, -0.155765, 0.019539, 0.552592, -0.493291, -0.005301, 0.042079, -0.124139, -0.060357, -0.030694, 0.035455, -0.517559, 0.204597, -0.095242, -0.533505, -0.233574, -0.007774, 0.027753, -0.324863, -0.637227, 0.255175, 0.256237, 0.010323, 0.116725, -0.142203, 0.023862, 0.339714, 0.242705, 0.188517, 0.017331, -0.347142, 0.384599, -0.184424, 0.108903, -0.026324, 0.136128, -0.415538, 0.093617, -0.258822, 0.101386, 0.070827, 0.54168, -0.237936, -0.322647, -0.101917, 0.041756, -0.001549, 0.167358, -0.040201, 0.101886, -0.714899, 0.097948, 0.142721, 0.208449, -0.046971, -0.130985, 0.214052, -0.052161, -0.000468, -0.300424, -0.110232, -0.175309, -0.397477, 0.029214, 0.328396, -0.272311, 0.043847, 0.182693, -0.211891, 0.147815, 0.113796, 0.480424, -0.06779, -0.063126, -0.043463, -0.102892, 0.04139, 0.628725, -0.465095, 0.14527, -0.115206, -0.205084, 0.125976, 0.093859, -0.212546, 0.122754, -0.568065, -0.001062, 0.402698, -0.20497, -0.000919, -0.060724, 0.077255, -0.288721, 0.334542, 0.246789, 0.236659, -0.127881, -0.240872, 0.167586, -0.262944, 0.084699, 0.071532, -0.506105, 0.28635, 0.143511, 0.097563, 0.017867, -0.067206, -0.250012, -0.079028, 0.077032, -0.137344, 0.092758, -0.17166, 0.33242]]},
 "free_energy": -597.23542024,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.075251780573478,
 "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", [6.45677, 12.26347, 11.62585, 4.41532, 10.01523, 9.90143, 4.79432, 11.15376, 8.04443, 8.72623, 13.86778, 9.77863, 7.42151, 9.08693, 13.549, 5.12167, 8.14431, 6.33998, 7.84527, 10.10772, 4.42343, 5.94242, 5.53823, 8.17336, 12.40816, 12.70428, 9.89801, 10.57673, 8.13316, 13.65633, 11.8787, 12.32903, 6.47357, 10.96551, 8.95847, 4.39704, 13.24174, 9.9686, 11.55221, 9.33336, 4.83026, 11.54809, 13.20236, 10.55184, 6.51895, 11.45076, 5.4741, 11.54756, 9.5726, 4.2146, 8.13589, 11.93992, 5.89981, 6.52287, 7.02851, 11.57188, 10.97304, 5.46918, 9.87698, 9.61322, 6.35243, 10.24662, 10.811, 6.88434, 11.68116, 8.4439, 7.40599, 12.12983, 9.6038, 5.75494, 10.6772, 8.31068, 8.7958, 12.77451, 9.64645, 7.68279, 11.62849, 7.20642, 8.43542, 11.36078, 11.55286, 6.74473, 9.12979, 11.49157, 6.26129, 9.82379, 7.14227, 5.7754, 8.39375, 9.49733, 9.4202, 12.04173, 10.81878, 7.26417, 10.46962, 6.47617, 6.40836, 7.94543, 10.75173, 7.84017, 9.08665, 12.53194, 5.99838, 8.35693, 6.97302, 8.80272, 10.23, 12.27365, 8.99225, 12.02412, 7.18736, 9.60301, 12.45524, 8.41288, 5.93792, 7.70112, 8.3487, 8.16943, 9.84356, 5.44578, 10.74009, 11.6148, 10.83532, 7.21819, 6.84569, 10.81399, 10.14229, 9.79245, 12.28854, 10.92927, 12.0968, 8.40951, 9.99898, 11.30251, 6.39625, 8.78577, 7.88212, 12.39152, 7.25049, 7.66971, 6.40631, 6.66021, 6.35496, 8.34049, 9.63922, 10.24237, 5.639, 11.10477, 10.479, 11.55426, 8.2415, 8.3501, 5.70331, 11.70568, 11.88367, 9.67157, 8.45644, 6.82533, 11.61326, 7.4694, 6.1118, 9.59777, 10.23966, 8.30025, 12.61378, 11.34316, 11.55387, 7.03302, 7.61707, 6.54538, 7.16681, 9.57635, 7.9116, 5.73044, 12.39543, 10.5207, 9.60328, 10.56466, 9.04559, 5.42682, 8.74696, 5.61344, 9.60527, 12.3327, 9.80556, 10.95595, 9.39235, 5.7883, 10.99229, 11.12664, 7.64197, 11.59186, 12.26716, 10.30477, 7.05583, 8.91801, 6.10324, 7.18533, 9.91843, 6.78857, 6.46578, 12.5691, 9.82927, 8.46321, 12.05026, 8.3264, 10.83998, 10.8806, 6.24724, 10.99649, 11.66031, 9.03792, 6.44716, 9.51569, 5.30265, 8.35786, 11.94725, 7.94169, 7.21968, 12.292, 7.63083, 9.60695, 10.8894, 5.97345, 8.44805, 11.43248, 6.43579, 9.59563, 11.28846, 6.58469, 7.09471, 12.53411, 8.35816, 8.46448]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0002141836271638099, -0.0002529558818537967, -4.105664703006007e-05, -0.00020586993700813343, -0.00023250869795740314, -0.0001295862124715882]]},
 "unique_id": "297f1a50cb858bd1c940d642a3c22de3",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}