{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [19.799326478, -0.016678156, 0.019481549, -0.016668505, 19.624808178, -0.035035512, 0.019510225, -0.035032574, 19.694053284]]}, "ctime": 20.60262114657685, "energy": -618.42844591, "forces": {"__ndarray__": [[84, 3], "float64", [-0.009583, 0.007212, 0.000957, -0.017312, 0.003743, -0.003441, 0.001176, -0.016425, -0.00324, -0.006264, 0.017991, -0.012618, 0.000278, 0.002013, 0.002993, 0.002678, 0.002647, -0.000652, 0.000315, 3.9e-05, -0.005525, -0.010782, 0.022286, -0.005769, -0.0101, 0.005554, 0.011874, -0.016, 0.000872, 0.022692, -0.004996, -0.000632, 0.014873, -0.001979, 0.017941, -0.005068, -0.001179, -0.006458, 0.015846, 0.006734, 0.018819, -0.015706, 0.006414, 0.002661, 0.019641, 0.01257, 0.013632, -0.01055, 0.021537, 0.018433, -8.9e-05, 0.005614, 0.007235, -0.005404, 0.012223, -0.002909, 0.022281, -0.002148, 0.011648, 0.014905, -0.005566, -0.001666, 0.001434, -0.012562, 0.007941, -0.010637, -0.000214, -0.00329, 0.001076, 0.013168, -0.001957, 0.009213, 0.016049, -0.006062, 0.027832, -0.018146, 0.017978, 0.024136, -0.017925, -0.013292, 0.01428, -0.027173, -0.015137, -0.019992, 0.006045, 0.021631, -0.001047, 0.00195, 0.017741, -0.021694, 0.014824, 0.019478, -0.035303, 0.009329, -0.00299, -0.027873, 0.009999, -0.018195, 0.017198, 0.007589, -0.00231, -0.009329, 0.001786, 0.000882, 6.8e-05, 0.037472, -0.034194, 0.054074, 0.046725, 0.007307, -0.010735, -0.018975, -0.011675, -0.012551, -0.040407, -0.045093, -0.026137, 0.008346, 0.007547, -0.007347, 0.000581, 0.00225, -0.028716, 0.030594, -0.00482, 0.016625, 0.00103, 0.004144, 0.007978, 0.012709, 0.002827, 0.01651, -0.032031, 0.001747, 0.025098, 0.013803, -0.002371, -0.037184, -0.04911, 0.014653, -0.022329, 0.042641, -0.028621, 0.015603, -0.033165, 0.010855, 0.012804, 0.005362, -0.006125, 0.016716, 0.018681, 0.037866, 0.042733, -0.048357, 0.000238, -0.001611, 0.006437, 0.021138, -0.029509, -0.022948, -0.002826, -0.012777, -0.013068, -0.019721, 0.003562, -0.004943, -0.007114, 0.006044, -0.002833, 0.008647, 0.026544, -0.015425, 0.029007, -0.029465, 0.022003, -0.003783, 0.00659, -0.01531, -0.004007, -0.013389, 0.01712, 0.004695, 0.001134, 0.014818, -0.004119, 0.001052, -0.001944, -0.013768, -0.037445, 0.008865, -0.011427, -0.007173, 0.001479, 0.005249, 0.041843, -0.018841, 0.007877, -0.027597, -0.034234, 0.018294, 0.030082, 0.015283, -0.019445, 0.019559, -0.018928, 0.025211, 0.010242, -0.00687, -0.020394, 0.009403, 0.000581, -0.004449, -0.03317, -0.030706, -0.01508, 0.002802, 0.040727, -0.040619, -0.002071, 0.000295, 0.019053, -0.060846, 0.015816, -0.030031, 0.003114, 0.006659, -0.039889, -0.013016, 0.000898, 0.007019, -0.021396, 0.017529, -0.049917, 0.006309, 0.009077, 0.029117, 0.027824, 0.030786, 0.003719, 0.043969, -0.00116, 0.011754, -0.020118, -0.00673, 0.001749, 0.037397, 0.003303, -0.002204, -0.018617, -0.001984, -0.007322, -0.039772]]}, "free_energy": -618.5776679, "key_value_pairs": {"perms_num": 1}, "mtime": 24.382197823583503, "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", [7.10535, 12.99823, 12.44171, 5.03989, 10.52578, 10.59504, 5.86221, 11.34466, 12.40026, 6.53077, 13.39921, 8.90093, 7.44961, 14.05998, 10.6329, 5.3838, 11.58922, 8.78546, 9.55966, 14.38735, 10.95504, 7.81534, 13.2858, 7.12462, 9.13986, 13.09145, 13.15978, 6.60543, 9.56829, 13.45252, 9.18883, 11.27888, 14.45878, 10.25972, 14.57614, 8.84561, 11.35305, 10.58025, 14.46009, 12.42377, 13.87704, 8.8489, 12.45769, 12.0176, 13.16218, 12.87826, 13.31188, 10.95763, 14.39422, 11.80822, 10.6386, 14.04933, 10.74745, 12.44621, 12.44185, 7.67507, 13.45658, 13.65276, 11.39227, 7.12752, 14.75678, 10.73429, 8.90622, 14.08567, 8.67776, 12.4084, 14.2756, 7.53275, 10.6025, 14.62109, 8.59441, 8.79129, 7.66315, 12.28557, 11.82149, 6.132, 10.48977, 10.45681, 6.73521, 11.02037, 11.81995, 7.25049, 12.60338, 9.12618, 7.92348, 13.0856, 10.4588, 6.38713, 11.27727, 9.11758, 9.47709, 13.39882, 10.46213, 8.17683, 12.51471, 7.8398, 9.08449, 12.19097, 12.51779, 7.27184, 9.73082, 12.57735, 6.97946, 10.43374, 8.00811, 6.52192, 9.02816, 10.40007, 10.06139, 12.43083, 11.42545, 7.93352, 11.12663, 7.26894, 7.11, 8.59175, 11.58443, 8.68555, 9.76453, 13.048, 6.95271, 9.02887, 7.9839, 9.44631, 10.98644, 13.42223, 9.64048, 12.70149, 8.04885, 10.26561, 13.50657, 9.13193, 6.71905, 8.30762, 9.21024, 8.89208, 10.43282, 6.50261, 11.32493, 12.02457, 11.42731, 7.91638, 7.43521, 11.60447, 10.97385, 10.49277, 13.42336, 11.79121, 13.01402, 9.13288, 10.59789, 11.92484, 7.38563, 9.53647, 8.65734, 12.94903, 7.9217, 8.29444, 7.20912, 7.54236, 7.12308, 9.20292, 10.25382, 10.8624, 6.48938, 11.97347, 11.25651, 12.5202, 8.88401, 8.98764, 6.46723, 12.36571, 12.46395, 10.4631, 9.13361, 7.4184, 12.3512, 8.13662, 6.68328, 10.38941, 10.87378, 9.05584, 13.05073, 11.82801, 11.99326, 8.05073, 8.30358, 7.11404, 7.96582, 10.26257, 8.54253, 6.47055, 13.43965, 11.29838, 10.46102, 11.10471, 9.7163, 6.50512, 9.51544, 6.23652, 10.38944, 13.17898, 10.49881, 11.82575, 10.13035, 6.7163, 11.60668, 11.99841, 8.19876, 12.58143, 12.90521, 10.98273, 7.84339, 9.63421, 6.68467, 7.96589, 10.63546, 7.41839, 7.21194, 13.70651, 10.51065, 9.13162, 13.1895, 8.92885, 11.82654, 11.46201, 7.1802, 11.58852, 12.28732, 9.71549, 7.27309, 10.25491, 6.24614, 9.20355, 12.65307, 8.59476, 8.01261, 13.36927, 8.14369, 10.46322, 11.61667, 6.71976, 9.21444, 12.19522, 7.18865, 10.40516, 11.85099, 7.44205, 7.98803, 13.62654, 8.93079, 9.12472]]}, "stress": {"__ndarray__": [[6], "float64", [7.302565677283412e-06, -8.332414683054152e-06, -3.997686595128227e-05, 2.6439032657241483e-05, 1.6820867094255383e-05, -2.147079139303841e-05]]}, "unique_id": "935b7f409f54e00a55c87515da72ecfc", "user": "mse-gucc"}, "2": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [17.81653474, -0.515302171, 0.388322085, -0.514401469, 17.117848293, 0.298972855, 0.389398229, 0.299249798, 16.706242918]]}, "ctime": 20.602621175553388, "energy": -621.68721078, "forces": {"__ndarray__": [[84, 3], "float64", [-0.042483, -0.003938, 0.06058, -0.049298, -0.014414, 0.058244, 0.020691, 0.097131, 0.011329, -0.045088, -0.067171, 0.012462, -0.079382, 0.107189, -0.034719, 0.031368, -0.113091, 0.071054, -0.073315, 0.071344, 0.204248, -0.196798, -0.120704, -0.10191, -0.241629, 0.031852, 0.079411, -0.210477, 0.051779, 0.259554, 0.119937, -0.026812, -0.044801, 0.064985, -0.015873, -0.014803, 0.031209, 0.165679, -0.105761, -0.010752, 0.169686, -0.013798, 0.079781, -0.183412, -0.015651, 0.032245, -0.282691, 0.25153, -0.088278, -0.137887, 0.061396, 0.027229, -0.073199, -0.005336, -0.147706, -0.08147, -0.009449, 0.040128, 0.047779, 0.081382, 0.01255, -0.010751, 0.26195, 0.049418, -0.111595, 0.065797, 0.100258, -0.081383, 0.002747, -0.147981, -0.127275, -0.060932, -0.064185, -0.092428, -0.119162, -0.08527, 0.016198, 0.063233, -0.008406, 0.032846, -0.15854, 0.199389, -0.085871, 0.052857, 0.139641, -0.058239, -0.014876, 0.01784, 0.019598, 0.156644, 0.168576, 0.09215, -0.021873, 0.094727, 0.114788, -0.018333, 0.110165, 0.047823, -0.190729, -0.067144, 0.130782, -0.033611, 0.110666, 0.042567, -0.114345, -0.18056, 0.047574, 0.031384, -0.249624, -0.232742, 0.157946, -0.054361, -0.114181, 0.024113, -0.11909, -0.349154, 0.127595, -0.029497, 0.015629, -0.186445, -0.073288, 0.30303, 0.032852, -0.21038, 0.125698, -0.122233, 0.021712, 0.058247, 0.084772, 0.008534, 0.106442, -0.03694, 0.156203, 0.096595, 0.062677, -0.05341, -0.068896, -0.123329, 0.014038, 0.045955, 0.054561, -0.249201, 0.141383, 0.071553, 0.080096, 0.040401, -0.041622, 0.056865, -0.016788, 0.129263, 0.02223, -0.033573, -0.169089, 0.026437, 0.110025, -0.160709, -0.008986, -0.021293, -0.004315, 0.115188, 0.118677, 0.084331, 0.087226, 0.044638, -0.103406, 0.259353, 0.070479, 0.060275, 0.030512, 0.236998, -0.27059, 0.087857, -0.141193, 0.1232, 0.069363, -0.134731, 0.003747, 0.007996, -0.167775, -0.004819, 0.198428, -0.007461, -0.277319, 0.080117, -0.048857, -0.026058, 0.011383, 0.009178, -0.108187, 0.146249, -0.057324, -0.070118, 0.082173, 0.234668, 0.094357, -0.322033, -0.035417, -0.252339, 0.007639, 0.04861, 0.049561, 0.074095, 0.183906, -0.012588, 0.002798, -0.03882, -0.200242, 0.176122, 0.101686, 0.017675, -0.30425, 0.037126, -0.098212, 0.30245, -0.026916, -0.143829, -0.069943, -0.056894, 0.093131, -0.189244, 0.037929, 0.14675, -0.041071, -0.297996, 0.065031, 0.012685, -0.089976, -0.080472, 0.21749, -0.002358, 0.199701, -0.015967, 0.058826, 0.057274, 0.024005, 0.075353, 0.041162, 0.072593, -0.002983, -0.049852, -0.015991, 0.087276, 0.100811, -0.146212, 0.080618, -0.082239, 0.172107, -0.122444, -0.030099, -0.183446, -0.000161, 0.065541]]}, "free_energy": -621.68721216, "key_value_pairs": {"perms_num": 1}, "mtime": 24.38219782363261, "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", [6.23429, 11.73474, 11.33501, 4.01934, 9.39828, 9.40074, 4.89213, 10.05311, 11.26897, 5.51553, 12.21045, 7.71142, 6.37295, 12.82563, 9.5186, 4.40463, 10.36894, 7.54345, 8.51549, 13.36078, 9.4524, 6.81915, 12.09338, 5.93174, 5.52986, 8.00748, 11.86428, 4.53655, 7.27021, 9.76723, 7.13673, 8.66388, 13.29786, 4.43465, 6.59923, 7.64613, 8.54065, 6.78645, 13.31399, 5.84879, 4.73006, 7.64279, 7.47701, 5.39883, 11.89658, 6.48275, 4.647, 9.77278, 8.42947, 3.56605, 9.41916, 9.30406, 4.23913, 11.29492, 11.28585, 5.11061, 11.34816, 9.41661, 3.69741, 7.54652, 13.45627, 6.7974, 9.48069, 11.50054, 4.25647, 7.70154, 12.34315, 4.89233, 9.51326, 11.74672, 5.52223, 5.93203, 6.69219, 11.02684, 10.62761, 5.10055, 9.28368, 9.26049, 5.74995, 9.77372, 10.6446, 6.23403, 11.41386, 7.94041, 6.88735, 11.88762, 9.29627, 5.39363, 10.06209, 7.92909, 8.426, 12.27471, 9.27167, 7.16772, 11.33233, 6.65429, 8.09008, 10.73913, 11.1256, 6.35783, 8.46321, 11.29787, 6.04172, 9.19338, 6.87904, 5.38123, 7.7242, 9.22743, 9.05686, 11.48573, 10.39892, 6.99112, 9.92633, 6.12709, 6.53447, 7.55049, 10.14374, 7.54926, 8.51384, 12.28508, 6.04093, 7.80416, 6.84604, 8.46618, 9.64215, 11.88977, 8.63668, 11.5599, 6.85667, 9.19295, 11.9756, 8.01797, 5.45561, 6.92238, 7.90947, 7.97154, 9.2692, 5.39725, 10.38729, 11.09495, 10.39284, 7.31293, 6.47942, 10.16049, 9.80819, 9.2003, 11.83801, 10.62589, 11.60026, 8.00965, 9.68303, 10.88274, 6.06184, 8.51707, 7.2126, 12.29372, 7.07196, 7.13034, 6.15148, 6.42898, 5.63072, 7.91517, 9.34857, 9.75009, 5.34195, 10.76054, 9.92189, 11.1086, 8.02036, 7.84416, 5.41977, 11.21012, 11.15939, 9.18382, 8.14164, 6.06931, 11.31873, 7.16553, 5.32758, 9.24275, 9.85004, 7.78202, 11.89037, 10.92287, 10.91659, 6.78493, 7.43917, 5.96049, 6.86249, 9.37482, 7.41097, 5.3975, 12.08104, 9.99435, 9.18081, 10.2291, 8.59797, 5.34293, 8.59488, 4.63757, 9.28166, 11.77949, 9.23054, 10.38924, 9.24631, 5.13252, 10.66298, 10.7862, 7.13021, 11.10088, 11.80017, 9.79007, 6.77767, 8.7679, 5.59449, 6.90248, 9.73167, 6.29896, 6.13957, 12.38246, 9.32083, 8.00463, 11.77448, 7.85122, 10.38489, 10.70261, 5.70866, 10.6258, 11.41709, 8.60916, 6.04657, 9.41966, 4.72673, 7.94819, 11.78398, 7.41965, 6.85048, 12.39505, 7.02748, 9.27399, 10.94794, 5.16755, 7.94631, 11.59258, 5.65607, 9.29728, 11.13111, 6.08396, 6.66104, 12.36017, 7.83723, 8.0051]]}, "stress": {"__ndarray__": [[6], "float64", [-5.063736353829088e-05, -0.00031514003727497157, 0.00023187206402656304, 5.948158196966745e-05, -6.03553932472911e-06, 0.0001228516241247602]]}, "unique_id": "1c03f236a45a7e255ddef02fe29fa403", "user": "mse-gucc"}, "3": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [17.723299637, 0.000221318, 0.05541602, -0.000534191, 16.422229383, -0.035811396, 0.055223494, -0.034687171, 17.519442083]]}, "ctime": 20.602621204841824, "energy": -618.31076295, "forces": {"__ndarray__": [[84, 3], "float64", [-0.000496, 0.045396, -0.049481, -0.020598, -0.058679, -0.004921, -0.1021, 0.188762, -0.020918, -0.237642, 0.030802, 0.125181, 0.012967, -0.074497, 0.013124, 0.081764, -0.121863, 0.024117, -0.120963, -0.007014, -0.334964, -0.170024, -0.046138, 0.20926, 0.070138, 0.056167, 0.183577, 0.011261, 0.002061, -0.047097, 0.159278, -0.006541, -0.017244, 0.049158, 0.053533, -0.019391, -0.067033, 0.052806, -0.050279, -0.046643, 0.010204, -0.027478, 0.047747, -0.330675, 0.21501, 0.141608, -0.194826, -0.361174, -0.070584, 0.142821, 0.155476, -0.06018, 0.044359, 0.032113, 0.0165, -0.086876, 0.121616, 0.001058, 0.016897, 0.033913, 0.02856, -0.062559, 0.163366, 0.127045, 0.109143, -0.079039, -0.102994, 0.02651, -0.042633, -0.230373, 0.031324, 0.069967, -0.014423, 0.043695, 0.035826, 0.055306, -0.084106, -0.038088, 0.080169, -0.076403, 0.050818, 0.042884, -0.120715, 0.115557, -0.197467, 0.196313, 0.00178, -0.094266, -0.027548, -0.151074, -0.215454, 0.112881, 0.086232, -0.10703, -0.104922, 0.014291, -0.278324, -0.125502, -0.110546, -0.099082, -0.078198, -0.073548, 0.034941, -0.115645, 0.136513, 0.095258, 0.055791, 0.14917, 0.915909, 0.002013, 0.209833, 0.194793, -0.041866, 0.041223, 0.139335, 0.006069, -0.089819, 0.067907, -0.082051, -0.301802, 0.007112, 0.126445, -0.21595, 0.087807, 0.076388, 0.151625, 0.17329, -0.034951, 0.087363, -0.066603, 0.132736, -0.080451, 0.080234, -0.146734, -0.108505, 0.024409, 0.112687, 0.018133, -0.596953, 0.407129, 0.126287, 0.110166, 0.02637, 0.065324, -0.123565, -0.02652, 0.006488, 0.254307, 0.082864, -0.049098, 0.026343, 0.032438, 0.088186, 0.039638, 0.140424, 0.111651, -0.090661, -0.089577, -0.00693, -0.027039, 0.023533, 0.109916, -0.007287, -0.177409, -0.133111, 0.15111, 0.15494, 0.088617, -0.167645, 0.184443, -0.047971, 0.043052, 0.107003, 0.212669, -0.18712, -0.083135, -0.114176, -0.079273, -0.014918, 0.039104, 0.187438, -0.031883, -0.240794, -0.115786, 0.018636, 0.006814, 0.042096, -0.049106, -0.087845, 0.077712, 0.111814, -0.054226, 0.003347, 0.031723, 0.023751, -0.022087, 0.205338, -0.024232, -0.065817, -0.058242, -0.000114, -0.088926, 0.059146, -0.181905, 0.05277, -0.014119, 0.094443, 0.021515, 0.055281, 0.049988, 0.039746, -0.169522, -0.024203, -0.171805, -0.039148, 0.092106, 0.078885, -0.017632, 0.020593, 0.051742, -0.08563, -0.055611, -0.124794, -0.22924, -0.039002, 0.07557, 0.080325, -0.068724, -0.040927, -0.073768, 0.028055, 0.048584, 0.012974, 0.043025, -0.02307, 0.243183, -0.091833, 0.264291, 0.041505, -0.08582, -0.03863, -0.117036, 0.147852, -0.223683, -0.102454, -0.064946, 0.039813, -0.096241, -0.122594, 0.14278, -0.190987, -0.082415]]}, "free_energy": -618.35016776, "key_value_pairs": {"perms_num": 1}, "mtime": 24.382197823694018, "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", [6.14281, 11.25626, 11.47672, 3.98419, 8.87875, 9.64236, 4.97946, 9.44547, 11.52126, 5.63854, 11.74092, 7.7319, 6.46235, 12.37736, 9.59762, 4.28615, 9.98385, 7.82228, 8.70176, 12.33533, 10.03563, 8.41854, 11.29134, 11.78427, 7.09983, 7.80595, 13.29487, 8.3121, 9.70577, 13.37112, 8.26855, 12.18853, 6.06192, 9.17451, 12.94325, 7.94839, 10.45898, 9.03503, 13.3248, 11.30828, 12.29323, 7.89855, 11.18902, 10.4444, 11.70706, 11.44857, 11.50073, 9.96291, 10.34735, 6.77966, 13.21601, 11.53038, 11.18739, 5.97317, 13.324, 10.28565, 9.41789, 13.04939, 9.1375, 11.3146, 13.57456, 9.26149, 7.54633, 12.95616, 6.97272, 11.35574, 13.36361, 5.96299, 9.439, 13.66426, 7.0574, 7.61283, 6.65162, 10.56275, 10.79353, 5.06426, 8.80337, 9.45276, 5.7821, 9.26797, 10.78501, 6.23479, 10.88329, 8.08528, 6.88485, 11.3762, 9.42137, 5.2875, 9.61489, 8.10485, 8.43859, 11.51216, 9.32264, 7.20385, 10.59758, 6.96304, 8.11087, 10.3224, 11.3369, 6.50103, 8.02893, 11.27466, 5.82309, 8.75408, 6.96823, 5.43563, 7.33029, 9.34896, 8.90785, 10.34183, 10.0911, 6.84539, 9.46737, 6.25555, 6.15058, 6.91989, 10.53062, 7.58674, 7.96929, 12.31258, 5.8488, 7.37641, 6.94626, 8.47261, 9.24968, 12.38272, 8.48949, 11.31363, 6.71536, 9.1746, 11.84823, 8.01764, 5.63994, 6.63257, 8.18443, 7.77761, 8.77957, 5.41053, 10.17847, 9.95263, 10.0629, 6.9397, 5.72224, 10.53215, 10.01741, 8.77282, 12.35161, 10.69813, 11.38198, 7.97958, 9.51382, 10.39224, 6.07809, 8.54818, 6.83299, 12.01883, 6.86488, 6.66049, 6.17764, 6.53682, 5.47671, 8.13848, 9.15118, 9.25948, 5.42032, 10.88113, 9.46194, 11.26942, 7.80799, 7.37191, 5.40556, 11.19195, 10.66693, 9.25389, 8.20172, 5.76207, 11.26213, 7.1653, 5.03417, 9.32495, 9.99275, 7.21722, 12.2578, 10.90496, 10.57326, 6.6612, 7.27252, 5.50698, 6.91546, 9.20775, 6.93917, 5.37286, 12.41213, 9.68515, 9.2925, 10.01848, 8.08893, 5.37083, 8.57034, 4.60328, 9.29166, 12.20309, 8.85773, 10.67487, 9.18596, 5.03616, 10.4774, 10.88416, 6.67336, 11.17701, 11.58396, 9.25703, 6.8708, 8.65502, 5.07564, 6.87675, 9.6104, 5.80431, 6.10647, 12.59805, 8.92121, 7.94488, 12.16598, 7.29991, 10.65432, 10.50859, 5.57824, 10.42835, 11.19979, 8.12806, 6.17651, 9.29086, 4.62751, 8.07526, 11.66792, 6.94743, 6.85277, 12.42392, 6.52419, 9.29783, 10.67985, 5.08175, 8.06818, 11.28622, 5.53083, 9.22058, 10.87745, 5.82511, 6.8309, 12.64551, 7.3376, 7.94609]]}, "stress": {"__ndarray__": [[6], "float64", [0.0002810738804659008, 8.557733162498535e-05, 0.00020360426919543778, -0.00014668170596738244, 5.09619220128368e-05, -5.022542393598258e-05]]}, "unique_id": "ac6e73cd774e7620afab209a77648a24", "user": "mse-gucc"}, "4": { "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": 24.382197823780107, "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"}, "5": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [19.869925127, 0.014186103, -0.081998174, 0.014285158, 19.889979048, 0.093708632, -0.082001232, 0.093591117, 19.756545599]]}, "ctime": 20.602621260586286, "energy": -619.81742192, "forces": {"__ndarray__": [[84, 3], "float64", [-0.02704, 0.027913, 0.028718, -0.054041, 0.005825, -0.002336, -0.00249, 0.004849, -0.000635, -0.009653, -0.015014, -0.004503, -0.008251, 0.012524, -0.024303, 0.042505, 0.008409, 0.006587, -0.004921, -0.029032, 0.01347, 0.007347, -0.002828, 0.036406, -0.025187, -0.040984, 0.014425, 0.031796, 0.020335, 0.019816, 0.032586, 0.010293, 0.007337, -0.013054, -0.037551, 0.017572, 0.050777, 0.032302, -0.006243, -0.019731, -0.038685, -0.038198, 0.001315, 0.015028, 0.041191, -0.028053, -0.022376, 0.007755, -0.002997, 0.013161, -0.042998, -0.014716, 0.016, -0.015549, 0.029575, -0.01297, -0.007174, 0.013225, -0.015973, 0.009613, 0.009516, -0.032847, -0.048297, 0.003396, 0.008385, -0.020692, 0.053814, -0.0144, -0.026281, 0.033358, -0.014376, -0.018314, 0.050395, -0.123426, 0.029326, 0.061032, 0.059995, -0.073168, 0.032075, 0.048236, 0.019875, 0.099903, 0.035535, -0.087179, 0.036575, -0.016355, 0.021384, -0.02519, -0.150618, -0.05624, 0.017766, 0.060861, -0.027922, -0.031777, -0.034636, 0.009284, -0.039735, 0.032533, -0.039067, 0.009538, -0.082799, -0.029442, -0.009875, 0.142428, 0.082602, 0.015359, -0.092027, 0.020037, -0.003127, 0.009261, 0.038066, -0.164426, 0.037219, 0.121551, -0.095508, 0.049159, 0.020233, 0.019481, 0.018798, 0.033963, 0.031237, 0.106536, -0.060727, 0.005826, 0.014591, 0.029135, -0.042219, -0.006313, -0.033498, -0.024156, -0.008341, -0.00439, -0.013761, 0.003858, -0.072101, 0.234053, 0.020241, -0.138756, -0.027905, -0.006527, 0.085593, -0.009965, 0.043558, 0.075061, 0.039007, -0.01748, -0.041009, 0.013161, 0.072979, 0.004401, -0.067241, 0.029858, -5.7e-05, 0.031556, -0.083411, -0.034932, -0.013807, 0.103916, -0.02538, -0.055631, -0.034263, 0.009694, -0.163245, -0.17205, -0.015231, 0.043886, -0.013012, -0.086092, 0.02469, 0.012443, -0.010242, -0.000781, -0.040501, -0.027783, -0.035718, -0.022705, -0.060832, 0.013326, 0.001853, 0.069284, 0.010317, -0.001731, -0.034891, 0.022058, 0.025981, -0.085547, 0.076706, -0.020722, -0.00161, -0.071869, 0.001697, 0.039151, 0.019971, -0.010414, 0.110137, 0.042437, 0.028534, 0.035942, 0.102368, -0.037782, 0.0561, -0.045701, 0.021206, -0.042107, -0.103784, -0.006946, -0.054622, -0.021483, 0.010596, -0.023011, -0.026645, 0.074154, 0.029037, -0.083318, -0.024275, 0.02876, -0.024643, 0.087105, -0.005376, 0.01939, -0.104996, -0.060119, -0.056648, 0.056219, 0.081774, 0.007739, 0.047258, 0.049696, 0.007116, 0.024894, 0.02524, 0.006743, -0.035703, -0.010422, -0.045837, -0.055304, 0.011605, -0.001044, -0.020739, 0.021917, 0.048779, -0.013088, -0.005651, 0.00905, 0.001559, 0.028299, 0.035464, 0.030347, 0.077944, 0.01896, 0.024762, 0.034945]]}, "free_energy": -619.82747254, "key_value_pairs": {"perms_num": 1}, "mtime": 24.38219782388663, "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", [7.27945, 13.22281, 12.69269, 4.99626, 11.03578, 10.82808, 6.02125, 11.49499, 12.6918, 6.77144, 13.64072, 8.89566, 7.39988, 14.34411, 10.83256, 5.46882, 11.84872, 8.89328, 9.53246, 14.8714, 10.9475, 5.14901, 8.8458, 10.93665, 5.79686, 9.25089, 7.36381, 9.34905, 14.13422, 7.37134, 10.6276, 14.86371, 9.07844, 5.49669, 7.80806, 9.06867, 10.90082, 13.00451, 6.18696, 7.35034, 8.12096, 6.17955, 12.70562, 13.35533, 7.49253, 7.57371, 6.29647, 7.48372, 10.23349, 8.39442, 5.26355, 11.53182, 10.184, 5.26518, 14.00601, 11.62541, 7.53326, 9.62254, 5.59673, 7.52515, 11.04196, 6.64326, 6.21364, 13.44843, 9.95, 6.21701, 14.01248, 8.32925, 7.55572, 12.75711, 6.60174, 7.55326, 7.75053, 12.54615, 11.96459, 6.05263, 10.79956, 10.65645, 6.81272, 11.25425, 11.96437, 7.37888, 12.82375, 9.33023, 7.94796, 13.4098, 10.65714, 6.43501, 11.52388, 9.32738, 9.504, 13.81857, 10.62142, 8.46999, 12.47175, 8.35288, 9.15712, 12.27267, 12.45071, 7.50274, 10.00178, 12.4489, 7.10831, 10.59493, 8.34804, 6.14177, 9.19787, 10.61458, 10.1159, 12.97493, 11.70735, 8.21896, 11.22317, 7.84919, 7.13423, 8.87309, 11.70164, 8.67502, 9.98387, 13.20476, 6.72192, 9.21501, 7.97727, 9.53284, 11.16171, 13.20595, 9.6657, 13.26314, 7.98423, 10.37105, 13.80837, 9.27091, 6.42067, 8.37739, 9.264, 9.18707, 10.51785, 7.11469, 11.44604, 12.56038, 11.71109, 7.93871, 7.73667, 11.70136, 10.89481, 10.71941, 13.22841, 11.66151, 13.01865, 9.31753, 10.76363, 12.46628, 7.14816, 9.51652, 8.82601, 13.22369, 7.81973, 8.41877, 7.13922, 7.56902, 7.39424, 9.30563, 10.42597, 11.05498, 6.86873, 11.84899, 11.42002, 12.47025, 9.06044, 9.17886, 6.86078, 12.21125, 12.5708, 10.46558, 9.14673, 7.70404, 12.46173, 8.16628, 7.01072, 10.45241, 10.90301, 9.26494, 13.2279, 12.10502, 12.55006, 7.95012, 8.15146, 7.11845, 7.93796, 10.37022, 8.66639, 6.32614, 13.06675, 11.38424, 10.47363, 11.31519, 9.96972, 6.32865, 9.55619, 6.56168, 10.46525, 12.85092, 10.69305, 11.70523, 10.14719, 6.9774, 11.69802, 11.86665, 8.5655, 12.49207, 13.04595, 11.24938, 7.91912, 9.68202, 6.62625, 7.91193, 10.81101, 7.34357, 7.02422, 13.2828, 10.68019, 9.29257, 12.86762, 9.28688, 11.72049, 11.48847, 7.39312, 11.71764, 12.70804, 9.95395, 7.02675, 10.29529, 6.57705, 9.2854, 13.04563, 8.7007, 7.92545, 13.08634, 8.58252, 10.49373, 11.6287, 7.006, 9.29691, 12.22882, 7.40382, 10.49194, 12.10726, 7.40972, 7.92207, 13.28319, 9.27757, 9.30032]]}, "stress": {"__ndarray__": [[6], "float64", [6.499907603694824e-05, 4.993207300706607e-07, 5.7259604720853004e-05, 6.693394386597207e-05, -4.079450364677298e-05, -5.7715234887042486e-05]]}, "unique_id": "a23bd421150b1b47f4b9d083881eb72b", "user": "mse-gucc"}, "6": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [17.111039168, -0.574587845, -0.271697676, -0.575405755, 16.697958451, -0.646314534, -0.272721501, -0.643277174, 14.509603904]]}, "ctime": 20.60262129226901, "energy": -623.32900495, "forces": {"__ndarray__": [[84, 3], "float64", [-0.151183, -0.161375, 0.093388, 0.200564, -0.028855, -0.005548, 0.416301, -0.065477, -0.090117, -0.163228, -0.222165, -0.024654, 0.171106, 0.024557, 0.091206, -0.07702, 0.159255, -0.28756, -0.102124, 0.325583, 0.103125, -0.256838, -0.039451, 0.150262, 0.000712, -0.021221, -0.25464, -0.174318, -0.194426, -0.228612, -0.377838, -0.504948, -0.157185, -0.187402, 0.076535, -0.240248, 0.187402, -0.076535, 0.240248, 0.377838, 0.504948, 0.157185, 0.174318, 0.194426, 0.228612, -0.000712, 0.021221, 0.25464, 0.256838, 0.039451, -0.150262, 0.102124, -0.325583, -0.103125, -0.416301, 0.065477, 0.090117, 0.07702, -0.159255, 0.28756, -0.171106, -0.024557, -0.091206, 0.163228, 0.222165, 0.024654, 0.151183, 0.161375, -0.093388, -0.200564, 0.028855, 0.005548, -0.19635, 0.393561, -0.536004, -0.326647, 0.138929, 0.111558, -0.606157, -0.129033, -0.240462, -0.205015, 0.039233, 0.370629, -0.019501, -0.064336, 0.144339, 0.029123, 0.328342, 0.176826, -0.309688, 0.401769, 0.222305, -0.040723, 0.393665, 0.214927, 0.368028, 0.35047, -0.019398, -0.230507, -0.185436, -0.129451, -0.425771, -0.004761, -0.109926, -0.373419, 0.044126, -0.223186, -0.467557, 0.213371, -0.292202, 0.258247, -0.489554, -0.227686, 0.166131, -0.161987, 0.117168, -0.317632, 0.102113, 0.612397, 0.068977, 0.089979, -0.096591, -0.119305, -0.007794, 0.433259, -0.417866, 0.254894, -0.048076, 0.333693, -0.192636, 0.293331, 0.206848, 0.040449, 0.186941, -0.35285, -0.441631, -0.509794, 0.382674, 0.585595, -0.251246, -0.915667, 0.131301, -0.267152, 0.137669, -0.420875, 0.886808, 0.058095, 0.083246, 0.358772, 0.10399, 0.270486, -0.288783, 0.479095, -0.054133, 0.797485, -0.625517, 0.320967, -0.057554, 0.112233, -0.200634, 0.198168, -0.479095, 0.054133, -0.797485, 0.625517, -0.320967, 0.057554, -0.137669, 0.420875, -0.886808, -0.112233, 0.200634, -0.198168, -0.10399, -0.270486, 0.288783, -0.058095, -0.083246, -0.358772, 0.35285, 0.441631, 0.509794, 0.915667, -0.131301, 0.267152, -0.382674, -0.585595, 0.251246, 0.119305, 0.007794, -0.433259, -0.206848, -0.040449, -0.186941, 0.317632, -0.102113, -0.612397, -0.333693, 0.192636, -0.293331, -0.068977, -0.089979, 0.096591, 0.417866, -0.254894, 0.048076, -0.258247, 0.489554, 0.227686, -0.166131, 0.161987, -0.117168, 0.467557, -0.213371, 0.292202, -0.368028, -0.35047, 0.019398, 0.373419, -0.044126, 0.223186, 0.425771, 0.004761, 0.109926, 0.040723, -0.393665, -0.214927, 0.230507, 0.185436, 0.129451, 0.309688, -0.401769, -0.222305, 0.606157, 0.129033, 0.240462, -0.029123, -0.328342, -0.176826, 0.019501, 0.064336, -0.144339, 0.205015, -0.039233, -0.370629, 0.19635, -0.393561, 0.536004, 0.326647, -0.138929, -0.111558]]}, "free_energy": -623.32900495, "key_value_pairs": {"perms_num": 2}, "mtime": 24.382197824015908, "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", [5.4023, 11.11235, 9.1968, 3.16541, 8.7731, 7.34929, 4.07498, 9.35001, 9.22182, 4.98739, 11.38498, 5.40181, 5.54327, 12.12511, 7.29073, 3.68157, 9.54916, 5.48038, 7.69154, 12.63363, 7.59301, 3.33009, 6.62681, 7.64069, 8.57856, 12.66738, 5.59917, 3.64255, 5.75551, 5.67414, 10.76822, 11.99141, 5.73298, 5.03143, 3.9193, 5.78786, 11.23148, 11.5608, 7.80373, 5.49469, 3.48868, 7.85861, 12.62036, 9.72458, 7.91745, 7.68436, 2.81272, 7.99242, 12.93282, 8.85328, 5.9509, 8.57137, 2.84646, 5.99858, 12.18794, 6.13008, 4.36977, 12.58134, 5.93093, 8.11121, 10.71964, 3.35498, 6.30086, 11.27552, 4.09512, 8.18979, 10.86061, 4.36774, 4.39479, 13.0975, 6.70699, 6.2423, 5.86509, 10.37133, 8.52656, 4.24077, 8.55071, 7.23633, 4.92887, 9.08304, 8.55829, 5.58243, 10.57528, 5.85782, 6.11753, 11.19476, 7.18077, 4.64502, 9.24498, 5.90011, 7.68538, 11.60265, 7.22613, 6.68222, 10.22228, 4.90269, 7.23361, 10.10874, 9.03334, 5.59867, 7.85012, 9.09261, 5.33176, 8.31181, 4.95576, 4.32713, 6.93768, 7.31178, 8.25205, 10.75434, 8.30876, 6.37372, 8.9984, 4.27051, 5.29926, 6.66188, 8.39165, 6.72407, 7.88814, 9.86203, 5.30012, 6.94079, 4.99704, 7.56136, 9.06098, 9.84658, 7.97888, 10.68319, 4.92393, 8.55775, 11.62289, 5.93708, 4.61614, 6.09498, 6.03231, 7.36617, 8.28725, 3.61737, 9.56442, 10.3638, 8.40169, 6.09209, 5.51407, 8.50303, 8.89574, 8.61783, 9.9007, 10.12393, 11.12957, 6.0413, 8.99604, 9.88476, 4.34324, 7.55362, 6.75523, 9.93571, 6.38002, 6.21866, 4.40221, 5.58552, 4.79651, 6.14871, 8.70929, 8.72487, 3.65588, 9.88289, 9.26143, 9.18938, 7.36718, 6.86227, 3.69089, 10.67739, 10.68358, 7.44288, 7.26687, 5.59533, 9.24835, 6.13898, 4.35052, 7.55029, 8.89674, 7.19284, 9.97422, 10.17082, 9.96603, 5.08856, 6.69849, 5.11629, 5.1899, 8.70155, 6.41911, 3.74501, 11.64677, 9.38511, 7.55928, 9.53884, 7.59195, 3.72956, 7.70516, 3.85721, 7.65451, 10.96279, 8.53931, 8.59455, 8.28404, 4.79691, 8.66766, 9.88919, 6.4817, 9.32108, 10.96365, 8.81821, 5.19994, 8.01086, 4.72575, 5.28283, 9.0293, 5.37135, 4.55826, 11.93579, 8.54241, 6.27982, 10.93115, 7.16829, 8.63583, 9.5807, 5.25781, 8.68891, 10.66425, 7.62997, 4.49898, 8.57753, 3.87744, 6.36547, 11.33404, 6.39705, 5.0333, 11.61789, 6.23511, 7.69149, 10.14538, 4.28534, 6.41082, 10.68048, 4.90481, 7.73377, 10.39782, 5.10876, 5.06503, 12.02214, 6.92939, 6.35527]]}, "stress": {"__ndarray__": [[6], "float64", [-0.004225358123513071, -0.0020922911721968375, -0.0043756661462825905, -0.000656007575166834, -0.00098545315135833, 0.000492567417196455]]}, "unique_id": "3398537ca7ec0d75a1cc4d9659aa7daa", "user": "mse-gucc"}, "7": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [18.850250734, -0.099838174, 0.186825984, -0.099356791, 18.06216214, 0.202390729, 0.186828197, 0.201851788, 18.538063047]]}, "ctime": 20.60262132067594, "energy": -621.99718734, "forces": {"__ndarray__": [[84, 3], "float64", [-0.008444, -0.043089, 0.08781, -0.210627, 0.008248, 0.058594, 0.037062, -0.011627, 0.069873, -0.119682, 0.127636, -0.072969, -0.072418, 0.084503, 0.053927, 0.056983, -0.086049, -0.013208, 0.134892, 0.019867, 0.04018, 0.052331, 0.044122, 0.136844, 0.08844, 0.044153, 0.039393, -0.09786, -0.148306, -0.026487, -0.046234, -0.115167, -0.008645, -0.135841, -0.14472, 0.016258, -0.0031, -0.073908, 0.078629, -0.052005, -0.039178, 0.102499, -0.058228, -0.031185, 0.055075, 0.147624, -0.084756, 0.113916, 0.076599, 0.037149, -0.029005, 0.031691, -0.116504, 0.055419, 0.095162, -0.089205, 0.082929, 0.188674, 0.028895, 0.042539, 0.118368, -0.068922, -0.078705, 0.100391, -0.130668, 0.045851, 0.051412, -0.036463, 0.034295, -0.201373, -0.090254, 0.061229, -0.083998, -0.001153, 0.030853, -0.086178, 0.021681, -2e-05, 0.048788, -0.15154, 0.028394, 0.012154, -0.129827, -0.210563, 0.15227, -0.019018, -0.166683, -0.011563, 0.038302, 0.012588, -0.165291, 0.205842, -0.067322, -0.126591, -0.22456, 0.166456, 0.186417, -0.031684, 0.219053, -0.194168, 0.283238, 0.032319, -0.023323, -0.055109, 0.065657, -0.210235, 0.001697, 0.05463, 0.065388, -0.034216, -0.04805, -0.067609, 0.250493, -0.265184, 0.058702, -0.270764, 0.130279, 0.219135, -0.290037, 0.071849, -0.059526, 0.171507, -0.07552, -0.109339, 0.037532, 0.112366, 0.223687, -0.093669, 0.176077, 0.082437, 0.206641, -0.225259, 0.111679, 0.207572, -0.049616, -0.000335, 0.333132, -0.055312, 0.048676, 0.049018, -0.011625, -0.143728, 0.194901, -0.079712, -0.138136, -0.276833, 0.185228, 0.029395, 0.082733, 0.029394, 0.109431, 0.236898, -0.167797, -0.140496, -0.136285, 0.126651, -0.08086, 0.014344, -0.117901, 0.111175, -0.113963, -0.177812, -0.274568, 0.020291, 0.167239, 0.197171, 0.197963, -0.116019, -0.116919, -0.058913, -0.041494, -0.05324, -0.021441, -0.149848, 0.245674, -0.007417, -0.178667, 0.236859, 0.057944, 0.094729, 0.178371, 0.014903, -0.125638, 0.0862, -0.015794, -0.011171, -0.171089, -0.008254, -0.093865, 0.193369, -0.393288, 0.156453, -0.039566, 0.13608, -0.169935, -0.017552, -0.133324, -0.075416, 0.153082, 0.096661, -0.26668, -0.040343, 0.122941, 0.136804, -0.091252, 0.299077, 0.192364, -0.451786, 0.098424, 0.181218, -0.148325, 0.109353, 0.04531, 0.158151, -0.119466, 0.04829, -0.014905, 0.069393, -0.135557, 0.024614, 0.129902, -0.220319, -0.092948, 0.026149, 0.042737, 0.13048, -0.117314, 0.025416, 0.332651, 0.108464, -0.138935, -0.173667, -0.090494, 0.077299, 0.220501, 0.180192, 0.146535, -0.341706, -0.297688, -0.079349, 0.138579, -0.07321, 0.363512, -0.079972, 0.058568, -0.338078, -0.24108, -0.088536, -0.130708, 0.061438, 0.107387, -0.075885]]}, "free_energy": -621.99718734, "key_value_pairs": {"perms_num": 1}, "mtime": 24.38219782416477, "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", [6.85812, 12.23538, 12.21131, 4.80699, 10.19189, 10.00618, 5.53456, 10.49435, 12.1646, 6.12519, 12.22672, 8.61791, 6.96935, 13.27658, 10.29848, 9.01129, 13.93455, 10.3157, 4.68838, 7.92629, 10.50204, 9.68893, 13.14419, 12.2214, 6.57518, 10.8189, 6.23544, 5.39585, 8.42183, 6.96648, 10.30634, 13.59872, 8.62758, 5.05108, 6.83583, 8.62608, 8.02522, 10.073, 4.82623, 11.7855, 12.51394, 12.18878, 10.76987, 12.20321, 6.24286, 6.72987, 6.86857, 5.93705, 10.0657, 10.72604, 4.82591, 8.28402, 7.91099, 4.81806, 12.57759, 12.7214, 10.05179, 13.97872, 10.92331, 10.55228, 11.11528, 8.81977, 4.83586, 13.17137, 10.9232, 6.98208, 14.34753, 9.83033, 8.67123, 12.99618, 8.87328, 5.97377, 7.33699, 11.52849, 11.51335, 5.80889, 9.75695, 10.14602, 6.38925, 10.24449, 11.51665, 7.04475, 11.6861, 8.9127, 7.56076, 12.36215, 10.19671, 6.62765, 10.23887, 9.02205, 9.06881, 12.84142, 10.20149, 7.95902, 11.57583, 7.70758, 8.72738, 11.28582, 12.02399, 7.05825, 8.98501, 12.02653, 6.84874, 9.56805, 7.88647, 5.71713, 8.18796, 10.19018, 9.72201, 12.29471, 11.52378, 7.44588, 10.4528, 6.83023, 6.68469, 7.84569, 11.29914, 8.23663, 9.0048, 12.75338, 6.30937, 8.23386, 7.55917, 9.08901, 10.18794, 12.72247, 9.21812, 11.97977, 7.71324, 9.89159, 12.60365, 8.92029, 5.97208, 7.38986, 8.84011, 8.40938, 9.79063, 5.81805, 11.24499, 11.80818, 11.53821, 7.48819, 6.69732, 11.33389, 10.47308, 9.72346, 12.76102, 11.08565, 11.68634, 9.03346, 10.29401, 11.38458, 6.83365, 9.08417, 7.85453, 12.78518, 7.32381, 7.41228, 6.69433, 7.13785, 6.43115, 8.90941, 9.91821, 10.28481, 5.81756, 11.44072, 10.40069, 12.04785, 8.43302, 8.22103, 5.86757, 12.02049, 11.77227, 10.17618, 8.70416, 6.68906, 12.0933, 7.71789, 5.96309, 10.08948, 10.46404, 8.29453, 12.79937, 11.30514, 11.01966, 7.8934, 7.88739, 6.45413, 7.71617, 9.85162, 7.89619, 6.22974, 13.00449, 10.54072, 10.22575, 10.81665, 8.99645, 5.87992, 9.08591, 5.51509, 10.10048, 12.41893, 9.69149, 11.32523, 9.7165, 5.95796, 11.33063, 11.45532, 7.57425, 12.09498, 12.52454, 10.24475, 7.57256, 9.21023, 6.04576, 7.7105, 10.20229, 6.80304, 6.95108, 13.26807, 9.74564, 8.87117, 12.4429, 8.29697, 11.34698, 11.04761, 6.40572, 11.33084, 12.17451, 8.98014, 6.71012, 9.83318, 5.57053, 8.90375, 12.27505, 7.86664, 7.72205, 12.68991, 7.56916, 10.10644, 11.2134, 6.01384, 8.90429, 11.83429, 6.40689, 10.11102, 11.4518, 6.7569, 7.71369, 12.88556, 8.28146, 8.92305]]}, "stress": {"__ndarray__": [[6], "float64", [-9.209970866153336e-05, -3.0776881499730345e-05, -0.00027184268846871943, -0.00014377316271472085, 0.00012068582045807869, -0.0001285875710114469]]}, "unique_id": "e4fd6112e8999428037f94a36d5a7305", "user": "mse-gucc"}, "8": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [11.717754939, -0.88982812, -0.508753471, -0.892198952, 13.388689899, 1.629170493, -0.508720151, 1.625757764, 8.957094361]]}, "ctime": 20.602621352213134, "energy": -553.81977324, "forces": {"__ndarray__": [[84, 3], "float64", [-1.388825, 0.637846, 3.165352, -3.110936, 0.760659, -1.168965, -2.59114, 0.277333, 2.542205, -2.834049, 1.640609, -2.133573, -1.262459, 2.049166, -0.67765, -0.209254, 2.441722, -0.367461, -4.265388, -1.502299, 0.938099, 0.150239, 0.72302, 3.095768, 0.738031, 1.717297, -1.214591, -6.159151, -2.008719, -3.581519, 1.409489, 1.491901, 3.027273, -2.226543, -2.293882, 0.227951, 2.226543, 2.293882, -0.227951, -1.409489, -1.491901, -3.027273, 6.159151, 2.008719, 3.581519, -0.738031, -1.717297, 1.214591, -0.150239, -0.72302, -3.095768, 4.265388, 1.502299, -0.938099, 0.209254, -2.441722, 0.367461, 2.59114, -0.277333, -2.542205, 1.262459, -2.049166, 0.67765, 2.834049, -1.640609, 2.133573, 1.388825, -0.637846, -3.165352, 3.110936, -0.760659, 1.168965, -3.497772, -2.728902, 5.168174, -7.086948, -3.335713, -0.817345, -0.079102, 1.094082, 4.545454, -3.160124, -0.622952, -3.597526, -0.271222, 7.01011, -2.227366, -1.241251, 5.422305, 2.029617, -2.9414, 5.610561, -3.516436, -2.429772, 0.780312, -4.815125, -0.49267, 7.526268, -2.020632, -4.585285, 0.525827, 1.88017, -0.963763, -4.726716, -5.709335, -6.294375, 2.093483, -4.463819, 2.819275, -2.205106, 7.220125, 2.125953, 2.521606, -5.417036, 2.772464, -4.633116, 4.73315, 3.908842, -2.85205, 6.629144, -0.23925, 4.668693, -3.499737, 1.618397, -6.403007, 7.73597, 2.785465, 2.577775, -4.705167, 2.508565, 2.835022, -1.948558, -2.836004, -4.637554, 3.117581, -2.254151, -0.527307, -4.369472, -0.613656, -0.459817, 3.82939, -7.745274, 2.793419, 2.324573, 0.260244, -3.46691, 4.060778, -4.105097, 4.508467, -2.123541, -4.607973, 2.251909, -7.443514, -1.740132, -1.083127, 4.194813, 0.390707, -2.301189, -4.129757, -8.688198, -1.533891, -5.88473, 1.740132, 1.083127, -4.194813, -0.390707, 2.301189, 4.129757, -0.260244, 3.46691, -4.060778, 8.688198, 1.533891, 5.88473, 4.607973, -2.251909, 7.443514, 4.105097, -4.508467, 2.123541, 2.254151, 0.527307, 4.369472, 7.745274, -2.793419, -2.324573, 0.613656, 0.459817, -3.82939, -1.618397, 6.403007, -7.73597, 2.836004, 4.637554, -3.117581, -3.908842, 2.85205, -6.629144, -2.508565, -2.835022, 1.948558, 0.23925, -4.668693, 3.499737, -2.785465, -2.577775, 4.705167, -2.125953, -2.521606, 5.417036, -2.772464, 4.633116, -4.73315, -2.819275, 2.205106, -7.220125, 0.49267, -7.526268, 2.020632, 6.294375, -2.093483, 4.463819, 0.963763, 4.726716, 5.709335, 2.429772, -0.780312, 4.815125, 4.585285, -0.525827, -1.88017, 2.9414, -5.610561, 3.516436, 0.079102, -1.094082, -4.545454, 1.241251, -5.422305, -2.029617, 0.271222, -7.01011, 2.227366, 3.160124, 0.622952, 3.597526, 3.497772, 2.728902, -5.168174, 7.086948, 3.335713, 0.817345]]}, "free_energy": -553.95141333, "key_value_pairs": {"perms_num": 2}, "mtime": 24.382197824326735, "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", [2.53154, 10.08508, 7.38405, 0.61571, 8.16888, 5.29025, 1.19954, 8.54463, 7.09552, 2.02567, 10.2161, 4.40556, 2.64492, 11.1194, 5.97005, 4.50718, 11.7503, 6.1846, 0.71767, 6.00027, 5.43654, 4.79591, 10.83551, 7.64367, 5.94506, 11.59935, 4.833, 1.26744, 5.35371, 3.66992, 6.80071, 10.47422, 7.73995, 2.38632, 3.48112, 3.89756, 7.93051, 10.6435, 6.17996, 3.51613, 3.6504, 2.33756, 9.0494, 8.77091, 6.40759, 4.37177, 2.52527, 5.24452, 5.52092, 3.28911, 2.43384, 9.59916, 8.12435, 4.64098, 5.80966, 2.37432, 3.89292, 9.1173, 5.57999, 2.98199, 7.67192, 3.00522, 4.10746, 8.29117, 3.90852, 5.67195, 7.78529, 4.03954, 2.69346, 9.70113, 5.95574, 4.78726, 2.92486, 9.4146, 6.70067, 1.58704, 7.81809, 5.35491, 2.01941, 8.26807, 6.55982, 2.86686, 9.67023, 4.61628, 3.22869, 10.27964, 5.75173, 2.41337, 8.32141, 4.53284, 4.5885, 10.75278, 5.88886, 3.85648, 9.55483, 3.71957, 4.16897, 9.08627, 7.08983, 2.63497, 7.06773, 6.90378, 2.74737, 7.70437, 3.52673, 1.65194, 6.30711, 5.23725, 5.06639, 10.12431, 6.92534, 3.6711, 8.42378, 3.00877, 2.46163, 6.03034, 6.16279, 3.64508, 7.04183, 7.59347, 2.76791, 6.37265, 3.33586, 4.42254, 8.1053, 7.69326, 5.02163, 9.97068, 3.83322, 5.52294, 10.62541, 4.89841, 2.0919, 5.60035, 4.08736, 4.62372, 7.7425, 2.44494, 6.47583, 9.78352, 7.06651, 3.3208, 4.97561, 6.05841, 5.68227, 7.7299, 7.81684, 6.66163, 9.79175, 5.02401, 6.01409, 9.22207, 3.26463, 4.46987, 5.96739, 7.52237, 3.67596, 5.7118, 2.72999, 2.93193, 4.3509, 4.06563, 5.84696, 8.15723, 2.55514, 6.64088, 8.41282, 7.34753, 4.63456, 6.39472, 2.26067, 7.38491, 9.77372, 6.01188, 4.30274, 4.90255, 6.81288, 3.65521, 4.33287, 5.0535, 5.69311, 6.38212, 7.63257, 6.99604, 9.14901, 4.0191, 3.84101, 4.3411, 3.011, 5.8943, 6.01932, 2.38425, 8.22494, 8.52427, 5.99015, 6.67176, 7.08279, 2.48405, 4.79389, 3.49921, 5.1791, 7.54892, 7.75197, 6.74166, 5.29521, 4.15394, 6.24429, 6.64573, 5.70084, 7.06874, 7.85521, 8.09428, 3.91472, 5.25045, 4.00031, 3.15217, 6.14787, 5.03835, 2.98768, 8.66489, 7.81751, 4.84026, 7.56947, 6.42025, 6.55078, 6.46035, 4.56979, 6.35794, 7.68186, 7.05689, 3.17373, 5.72834, 3.37184, 4.18865, 8.29743, 5.85655, 3.51769, 7.90347, 5.80321, 5.54467, 7.08814, 3.84498, 4.32578, 7.44997, 4.45439, 5.46123, 7.39198, 4.71002, 3.37684, 8.7298, 6.30653, 4.7226]]}, "stress": {"__ndarray__": [[6], "float64", [-0.28472074431608135, -0.20838840466495467, -0.30356655045755615, 0.013609161260331381, -0.02384057381946289, -0.022990430344444583]]}, "unique_id": "f79fe2de51b1666d8553d03943b0e4bf", "user": "mse-gucc"}, "9": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [19.770944773, 0.0, -0.006120697, 0.0, 19.902076112, 0.0, -0.006121909, 0.0, 19.862159117]]}, "ctime": 20.60262138667328, "energy": -620.52819071, "forces": {"__ndarray__": [[84, 3], "float64", [-0.006296, 0.011433, 0.005854, 0.006129, 0.006442, -0.008845, -0.011208, -0.008642, 0.003995, -0.005793, 0.00203, -0.008505, 0.000239, -0.004227, 0.004933, -0.00405, -0.008517, -0.007622, 0.006129, -0.006442, -0.008845, -0.011208, 0.008642, 0.003995, 0.00405, -0.008517, 0.007622, -0.006296, -0.011433, 0.005854, -0.000239, -0.004227, -0.004933, -0.005793, -0.00203, -0.008505, 0.005793, 0.00203, 0.008505, 0.000239, 0.004227, 0.004933, 0.006296, 0.011433, -0.005854, -0.00405, 0.008517, -0.007622, 0.011208, -0.008642, -0.003995, -0.006129, 0.006442, 0.008845, 0.00405, 0.008517, 0.007622, 0.011208, 0.008642, -0.003995, -0.000239, 0.004227, -0.004933, 0.005793, -0.00203, 0.008505, 0.006296, -0.011433, -0.005854, -0.006129, -0.006442, 0.008845, 0.010795, 0.00119, 0.006126, -0.011732, 0.007122, -0.004447, -0.003015, 0.006503, 0.003494, 0.012434, 0.001088, 0.008015, -0.005449, 0.009968, -0.013818, -0.009794, 0.014627, 0.020207, 0.004297, 0.006843, -0.003164, 0.006675, 0.008083, -0.009216, 0.001112, 0.021201, -0.009039, -0.001688, -0.0, 0.022682, -0.003862, -0.02778, -0.008107, -0.011732, -0.007122, -0.004447, 0.00724, -0.013895, 0.013285, 0.001195, 0.003276, -0.017885, -0.003015, -0.006503, 0.003494, -0.013456, -0.0, -0.019406, -0.003862, 0.02778, -0.008107, 0.011938, -0.018505, 0.001057, -0.00724, -0.013895, -0.013285, -0.004297, 0.006843, 0.003164, -0.009794, -0.014627, 0.020207, 0.007105, 0.015818, -0.00206, -0.006675, 0.008083, 0.009216, 0.010795, -0.00119, 0.006126, -0.007105, 0.015818, 0.00206, 0.005449, 0.009968, 0.013818, -0.001112, 0.021201, 0.009039, 0.011938, 0.018505, 0.001057, 0.001195, -0.003276, -0.017885, 0.012434, -0.001088, 0.008015, -0.011938, -0.018505, -0.001057, -0.001195, 0.003276, 0.017885, 0.007105, -0.015818, -0.00206, -0.012434, 0.001088, -0.008015, 0.001112, -0.021201, -0.009039, -0.005449, -0.009968, -0.013818, -0.007105, -0.015818, 0.00206, -0.010795, 0.00119, -0.006126, 0.006675, -0.008083, -0.009216, -0.011938, 0.018505, -0.001057, 0.009794, 0.014627, -0.020207, 0.013456, -0.0, 0.019406, 0.004297, -0.006843, -0.003164, 0.003862, -0.02778, 0.008107, 0.00724, 0.013895, 0.013285, -0.001195, -0.003276, 0.017885, 0.003015, 0.006503, -0.003494, -0.00724, 0.013895, -0.013285, -0.001112, -0.021201, 0.009039, 0.011732, 0.007122, 0.004447, 0.003862, 0.02778, 0.008107, -0.006675, -0.008083, 0.009216, 0.001688, -0.0, -0.022682, -0.004297, -0.006843, 0.003164, 0.003015, -0.006503, -0.003494, 0.009794, -0.014627, -0.020207, 0.005449, -0.009968, 0.013818, -0.012434, -0.001088, -0.008015, -0.010795, -0.00119, -0.006126, 0.011732, -0.007122, 0.004447]]}, "free_energy": -620.52819071, "key_value_pairs": {"perms_num": 4}, "mtime": 24.382197824519633, "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", [7.22417, 13.19699, 12.64998, 4.9987, 11.06589, 10.64931, 5.95287, 11.47257, 12.6316, 6.58447, 13.4784, 8.9303, 7.34949, 14.3349, 10.76198, 9.47701, 14.89083, 10.96426, 4.9987, 8.83619, 10.64931, 5.95287, 8.42951, 12.6316, 10.28781, 14.89083, 8.89178, 7.22417, 6.70508, 12.64998, 12.41533, 14.3349, 9.09406, 6.58447, 6.42367, 8.9303, 13.18035, 13.4784, 10.92574, 7.34949, 5.56718, 10.76198, 12.54066, 13.19699, 7.20606, 9.47701, 5.01125, 10.96426, 13.81195, 11.47257, 7.22444, 14.76612, 11.06589, 9.20673, 10.28781, 5.01125, 8.89178, 13.81195, 8.42951, 7.22444, 12.41533, 5.56718, 9.09406, 13.18035, 6.42367, 10.92574, 12.54066, 6.70508, 7.20606, 14.76612, 8.83619, 9.20673, 7.70189, 12.52924, 11.91631, 6.05819, 10.76732, 10.59131, 6.75979, 11.21855, 11.92486, 7.35365, 12.77515, 9.30919, 7.91543, 13.40732, 10.60848, 6.68739, 11.39518, 9.39382, 9.46871, 13.84849, 10.60164, 8.365, 12.54987, 8.20365, 9.10501, 12.25699, 12.37847, 7.4129, 9.95104, 12.43405, 7.00663, 10.67492, 8.28538, 6.05819, 9.13475, 10.59131, 10.07751, 12.96728, 11.64772, 8.01909, 11.37642, 7.50178, 6.75979, 8.68353, 11.92486, 8.58339, 9.95104, 13.10698, 7.00663, 9.22716, 8.28538, 9.45605, 11.12964, 13.10538, 9.68731, 12.96728, 8.20831, 10.29611, 13.84849, 9.25439, 6.68739, 8.5069, 9.39382, 8.9633, 10.68121, 6.75119, 11.39983, 12.54987, 11.65239, 7.70189, 7.37283, 11.91631, 10.80152, 10.68121, 13.10485, 11.84939, 13.40732, 9.24756, 10.65982, 12.25699, 7.47756, 9.45605, 8.77244, 13.10538, 8.01909, 8.52566, 7.50178, 7.35365, 7.12692, 9.30919, 10.30878, 11.12964, 6.75066, 11.74573, 11.37642, 12.35425, 8.9633, 9.22087, 6.75119, 12.41117, 12.77515, 10.54685, 9.10501, 7.64508, 12.37847, 7.91543, 6.49476, 10.60848, 10.80152, 9.22087, 13.10485, 12.06293, 12.52924, 7.93973, 8.365, 7.35221, 8.20365, 10.30878, 8.77244, 6.75066, 13.07744, 11.39518, 10.46222, 11.18143, 9.95104, 6.74906, 9.46871, 6.05358, 10.60164, 12.7582, 10.67492, 11.57066, 10.07751, 6.9348, 11.64772, 11.74573, 8.52566, 12.35425, 13.00503, 11.21855, 7.93118, 9.68731, 6.9348, 8.20831, 10.65982, 7.64508, 7.47756, 13.70663, 10.76732, 9.26473, 12.7582, 9.22716, 11.57066, 11.39983, 7.35221, 11.65239, 12.35192, 9.95104, 7.42199, 10.29611, 6.05358, 9.25439, 13.00503, 8.68353, 7.93118, 13.07744, 8.5069, 10.46222, 11.84939, 6.49476, 9.24756, 12.41117, 7.12692, 10.54685, 12.06293, 7.37283, 7.93973, 13.70663, 9.13475, 9.26473]]}, "stress": {"__ndarray__": [[6], "float64", [2.579615721727551e-05, 2.6307960965597933e-05, 3.595109256508757e-05, -0.0, -2.4566579919476506e-05, -0.0]]}, "unique_id": "8a9418e459e398796aa7d50aea5f9319", "user": "mse-gucc"}, "10": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [17.925820624, -0.156300578, -0.050691299, -0.156182767, 18.031383114, -0.098176676, -0.051449999, -0.098210507, 18.548125805]]}, "ctime": 20.60262141802227, "energy": -621.16752051, "forces": {"__ndarray__": [[84, 3], "float64", [0.088444, -0.047115, -0.067209, -0.030607, 0.141813, -0.033483, 0.153177, -0.029512, -0.172087, -0.161963, 0.097138, -0.108761, -0.106107, 0.138659, 0.061917, -0.109134, 0.099925, -0.073716, -0.142269, 0.007087, 0.176524, -0.152064, 0.021056, 0.120272, 0.070579, -0.022541, -0.132486, 0.021949, -0.064262, 0.096012, 0.006866, 0.180167, -0.005691, -0.066983, -0.128941, 0.432228, 0.066983, 0.128941, -0.432228, -0.006866, -0.180167, 0.005691, -0.021949, 0.064262, -0.096012, -0.070579, 0.022541, 0.132486, 0.142269, -0.007087, -0.176524, 0.109134, -0.099925, 0.073716, 0.152064, -0.021056, -0.120272, -0.153177, 0.029512, 0.172087, 0.106107, -0.138659, -0.061917, 0.161963, -0.097138, 0.108761, -0.088444, 0.047115, 0.067209, 0.030607, -0.141813, 0.033483, 0.107873, 0.231734, 0.051726, 0.214711, -0.002195, 0.269183, -0.347586, -0.494856, 0.089198, 0.070827, -0.07653, 0.323515, 0.309898, -0.084445, -0.126562, -0.053243, -0.120047, 0.3323, 0.044207, -0.231748, 0.158503, -0.171523, -0.190305, -0.349888, 0.057353, 0.072945, -0.118277, 0.233237, 0.125607, -0.330853, 0.083242, -0.045091, -0.379051, -0.055171, 0.295018, -0.279657, -0.783406, 0.129966, 0.131339, 0.095935, -0.07066, 0.026421, 0.073854, -0.045209, 0.225987, -0.128064, 0.340055, -0.139004, -0.060325, 0.264304, -0.026562, -0.123374, 0.172815, -0.23325, -0.064421, 0.391828, 0.381766, 0.101466, 0.02322, -0.269919, -0.119426, -0.074686, 0.3594, -0.412585, -0.054005, -0.124671, 0.590233, -0.177262, -0.048782, -0.103974, -0.108393, -0.446762, 0.337847, -0.249215, -0.02624, 0.291588, -0.129778, 0.413593, 0.134144, -0.062939, -0.293976, 0.129435, -0.056439, -0.127615, 0.218176, -0.335302, -0.067095, 0.233894, -0.315101, 0.290678, -0.129435, 0.056439, 0.127615, -0.218176, 0.335302, 0.067095, -0.337847, 0.249215, 0.02624, -0.233894, 0.315101, -0.290678, -0.134144, 0.062939, 0.293976, -0.291588, 0.129778, -0.413593, 0.412585, 0.054005, 0.124671, 0.103974, 0.108393, 0.446762, -0.590233, 0.177262, 0.048782, 0.123374, -0.172815, 0.23325, 0.119426, 0.074686, -0.3594, 0.128064, -0.340055, 0.139004, -0.101466, -0.02322, 0.269919, 0.060325, -0.264304, 0.026562, 0.064421, -0.391828, -0.381766, -0.095935, 0.07066, -0.026421, -0.073854, 0.045209, -0.225987, 0.783406, -0.129966, -0.131339, -0.057353, -0.072945, 0.118277, 0.055171, -0.295018, 0.279657, -0.083242, 0.045091, 0.379051, 0.171523, 0.190305, 0.349888, -0.233237, -0.125607, 0.330853, -0.044207, 0.231748, -0.158503, 0.347586, 0.494856, -0.089198, 0.053243, 0.120047, -0.3323, -0.309898, 0.084445, 0.126562, -0.070827, 0.07653, -0.323515, -0.107873, -0.231734, -0.051726, -0.214711, 0.002195, -0.269183]]}, "free_energy": -621.16759041, "key_value_pairs": {"perms_num": 2}, "mtime": 24.382197824727545, "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", [6.20818, 12.29895, 11.82633, 4.14122, 9.9302, 9.86556, 4.895, 10.66137, 11.81177, 5.47241, 12.49333, 8.3837, 6.73178, 13.32544, 9.97547, 6.86672, 12.68901, 6.5747, 8.18065, 12.07252, 12.78355, 5.41548, 8.80237, 12.81078, 5.89381, 10.79392, 5.66407, 7.26837, 9.19889, 13.94825, 7.37135, 9.5972, 4.50429, 8.27313, 7.11952, 13.86917, 9.44506, 10.65735, 4.53009, 10.34684, 8.17967, 13.89497, 10.44982, 8.57798, 4.45101, 11.82438, 6.98295, 12.73519, 9.53754, 5.70435, 5.6157, 10.85147, 5.08786, 11.82456, 12.30271, 8.97451, 5.58848, 12.82319, 7.1155, 6.58749, 10.98641, 4.45143, 8.42379, 12.24578, 5.28354, 10.01556, 11.51, 5.47792, 6.57293, 13.57697, 7.84668, 8.5337, 6.73738, 11.54246, 11.22717, 5.2377, 9.77906, 9.86006, 5.7868, 10.30945, 11.26432, 6.3205, 11.8048, 8.51403, 7.03596, 12.28056, 9.83274, 5.81277, 10.40193, 8.60915, 8.54074, 12.2865, 9.72789, 7.14379, 11.7939, 7.1492, 8.14779, 11.37033, 11.93068, 6.21773, 8.97482, 12.08358, 6.02203, 9.69753, 7.47102, 5.51534, 8.28678, 9.85985, 9.17376, 11.8477, 10.91987, 6.68604, 10.50028, 6.37145, 6.13296, 7.87702, 11.05864, 7.56021, 8.96448, 12.90888, 5.92972, 8.2724, 7.41888, 8.52766, 10.00383, 12.43535, 8.61049, 11.76275, 7.30633, 9.24251, 12.22125, 8.5426, 5.69227, 7.57479, 8.67922, 7.7709, 9.65786, 5.53215, 10.47278, 11.40838, 10.92744, 6.93779, 6.75138, 11.07907, 9.80299, 9.54677, 12.40069, 10.60533, 11.79496, 8.51385, 9.52454, 11.05266, 6.58963, 8.45623, 7.64749, 12.93376, 6.8661, 7.55729, 6.69301, 6.49542, 6.39812, 8.69057, 9.26196, 10.12938, 5.4655, 10.85208, 10.21958, 11.70625, 7.9152, 8.2301, 5.99857, 11.22277, 11.37875, 9.70869, 8.19364, 6.72421, 11.80963, 7.11285, 5.98192, 9.88541, 9.94729, 8.11901, 12.8671, 10.7804, 11.02549, 7.32018, 7.2454, 6.36849, 7.47182, 9.19053, 7.77304, 5.96391, 12.02592, 10.20208, 9.72004, 10.15798, 8.81239, 5.49037, 8.47568, 5.55562, 9.85666, 11.78847, 9.50448, 10.98038, 9.10769, 6.01413, 11.09293, 11.03214, 7.2766, 12.02781, 11.58523, 9.89986, 7.34062, 8.54442, 5.92917, 7.47939, 9.57039, 6.40655, 6.46858, 12.20285, 9.4901, 8.53941, 11.69616, 8.07934, 10.92824, 10.5744, 5.98297, 11.25006, 11.50046, 8.80205, 6.31568, 9.17745, 5.49037, 8.67136, 11.93139, 7.46742, 7.13493, 11.90542, 7.37494, 9.79011, 10.68223, 5.49631, 8.56651, 11.39769, 5.97207, 9.88523, 10.98081, 6.23441, 7.17209, 12.48048, 7.99782, 8.5392]]}, "stress": {"__ndarray__": [[6], "float64", [-0.00020007157503018784, -0.00021964494764895772, -0.00033515031553255325, 0.0001221213675570318, -0.0002472074519488582, 9.515804813321616e-05]]}, "unique_id": "a0d76b5ef90f968371793f28ce46ccc9", "user": "mse-gucc"}, "11": { "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": 20.602621443845685, "energy": -620.78507363, "forces": {"__ndarray__": [[84, 3], "float64", [0.000906, 0.000894, -0.000486, 0.001779, -5.4e-05, 0.002394, -0.000198, 0.000975, 0.001868, 0.000675, 0.004895, -0.000896, 0.00278, 0.00087, 0.002177, -0.001935, 0.000857, -0.000619, -2.8e-05, -0.001059, -0.001671, -0.001721, 0.000318, 0.000578, 0.001324, 4e-05, 7e-05, -2.1e-05, -0.002155, 0.002755, -0.000422, 0.000621, 0.001437, 0.000378, 0.000878, 0.001966, -0.000386, 0.001835, -0.002401, -2.8e-05, -0.000215, -0.00275, -0.002741, 0.000634, -0.000668, -0.001876, -0.000649, -0.000988, -0.00027, -0.000343, 0.001247, 0.00069, -0.004268, 0.001357, -0.0007, -0.001269, 0.003496, 1e-06, -0.000981, 0.000815, 0.001929, -0.000978, 0.00094, -0.00304, 0.002315, -0.001093, -0.001401, -8.2e-05, 0.000523, 0.001878, -3.3e-05, -0.001545, 8.7e-05, 0.001759, 0.001854, -0.000418, -0.001446, -0.001856, -0.0026, -0.002932, 0.002384, 0.002436, 0.002431, 0.000298, 0.001292, 0.003229, -0.001566, 0.000229, 0.002908, 7.1e-05, 0.002158, 0.001344, 0.00068, -0.002686, 0.002191, 0.001235, 0.003642, 0.000719, -0.000268, 0.001617, -0.003881, 0.000826, 0.0, -0.002929, 0.000454, -0.001773, 0.001227, -6.7e-05, 0.001781, 2.8e-05, 0.003612, 0.001073, 0.000113, 0.000723, -0.000295, 0.003024, -0.000704, -0.002808, -3.6e-05, -0.004909, -0.002718, 0.002052, 0.00162, 0.002158, -0.003009, 0.000628, 0.002122, -0.000752, 0.001184, 0.00126, -0.001055, 0.002442, 5.2e-05, 0.000697, 0.002064, -0.000327, 0.000742, 0.002606, -0.000736, -9e-05, -0.001974, 0.000395, -0.004, 0.000613, -0.002622, 0.001256, -0.000815, -0.001675, -0.003971, -0.002768, 0.002169, 0.000185, -0.001754, -0.00021, -0.000969, -0.002118, 0.001897, 0.001666, -0.000909, -0.000943, 0.004359, 0.001247, -0.003191, 0.006363, 0.002162, 0.001934, 0.001478, -0.000136, -0.001015, -0.000219, 0.000345, 0.002925, -0.001414, 0.000416, -0.001495, -0.000715, -0.001719, 0.003718, 0.001286, -0.000726, 0.002132, 0.00118, -0.002721, 0.003153, -0.00172, 0.000265, 0.002166, -0.002573, 0.000786, -0.002456, -0.001261, 0.001847, -0.000928, 0.000864, 0.001202, 0.002299, -0.007751, -0.002928, -0.005711, 0.000991, -0.000301, 0.000212, 0.000715, -0.005621, -0.001972, -0.001304, 4.3e-05, 0.000446, -0.002056, 0.001353, 0.002354, -0.001409, -0.00372, -0.005295, -0.001033, -0.000494, -0.003373, 0.000505, -0.00177, 0.000333, -0.000286, -0.000193, 0.000428, -0.00083, -0.000458, -0.004554, -1.4e-05, 0.003162, -0.001567, 0.002589, 0.000487, 0.003694, -0.001695, 0.000504, 0.000593, 0.000781, -0.002106, -0.000678, 0.001729, 1.7e-05, -0.001862, 0.000652, 0.000804, 0.004283, -0.000517, -0.004842, 0.000847, -0.002312, -0.001469, 0.00045, 6.7e-05, 0.002473]]}, "free_energy": -620.78515978, "key_value_pairs": {"perms_num": 1}, "mtime": 24.38219782497346, "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", [7.24612, 13.30087, 12.62853, 5.28821, 10.95151, 10.59129, 5.97311, 11.6303, 12.55365, 6.53242, 13.5182, 9.18217, 7.74551, 14.37684, 10.81389, 7.89872, 13.78759, 7.377, 9.16914, 13.07835, 13.64332, 6.51863, 9.79388, 13.56964, 7.03364, 11.86716, 6.43239, 8.35518, 10.20108, 14.72359, 8.82373, 11.148, 5.2764, 9.40173, 8.17604, 14.68624, 8.45052, 8.87142, 5.31415, 11.45407, 9.23116, 14.72434, 10.69854, 8.49765, 5.27479, 12.68892, 7.74964, 13.56773, 10.87651, 6.62577, 6.43019, 14.24999, 9.163, 12.62308, 13.1872, 10.16001, 6.35757, 13.98898, 8.39782, 7.37187, 14.41358, 7.78325, 10.81597, 12.35614, 5.8122, 9.40697, 12.79112, 6.67333, 7.44597, 14.85853, 9.20493, 9.1871, 7.80159, 12.56947, 12.02869, 6.38606, 10.79341, 10.62216, 6.88058, 11.29748, 12.03495, 7.41427, 12.86362, 9.32079, 8.10488, 13.34674, 10.65015, 6.96595, 11.43987, 9.39324, 9.60783, 13.39839, 10.58155, 8.24347, 12.90581, 7.94323, 9.1973, 12.4177, 12.75219, 7.3266, 9.97529, 12.84075, 7.19256, 10.76523, 8.23563, 6.6819, 9.31373, 10.59487, 10.21961, 12.93895, 11.77258, 7.82196, 11.58416, 7.15162, 7.26053, 8.87798, 11.81136, 8.65872, 9.99304, 13.67945, 7.15497, 9.34255, 8.16003, 9.6111, 11.05, 13.22247, 9.72051, 12.99871, 8.14079, 10.33411, 13.4131, 9.39956, 6.89191, 8.62196, 9.41343, 8.91557, 10.79172, 6.31731, 11.53922, 12.51899, 11.78616, 8.06725, 7.74923, 11.82235, 10.90066, 10.62177, 13.22353, 11.70981, 12.98517, 9.40905, 10.6604, 12.24993, 7.46439, 9.5813, 8.6763, 13.71949, 8.046, 8.6273, 7.38756, 7.69512, 7.44808, 9.40144, 10.3172, 11.04953, 6.77718, 11.93619, 11.31818, 12.53624, 8.87155, 9.19558, 6.28102, 12.31232, 12.54558, 10.59307, 9.29549, 7.71661, 12.61196, 8.28199, 7.0212, 10.59793, 11.08657, 9.20918, 13.68347, 11.9238, 12.24245, 8.21539, 8.45369, 7.46792, 8.17677, 10.40803, 8.72327, 6.31894, 13.1428, 11.36817, 10.60254, 11.12128, 9.95454, 6.77623, 9.64579, 6.61816, 10.5854, 12.93936, 10.65477, 11.86084, 10.25026, 7.08831, 11.83973, 12.17683, 8.41239, 12.84845, 12.72949, 11.11607, 8.22833, 9.77628, 7.04913, 8.18781, 10.79958, 7.45056, 7.15885, 13.35306, 10.67424, 9.41989, 13.30495, 9.22014, 12.05687, 11.5918, 7.56219, 11.76393, 12.54916, 9.98286, 7.24808, 10.36863, 6.63277, 9.40421, 13.12204, 8.70145, 7.97147, 13.51928, 8.42103, 10.67846, 11.86716, 6.80794, 9.37686, 12.30253, 7.55654, 10.60608, 12.19478, 7.43398, 7.9648, 13.76775, 9.22883, 9.34993]]}, "stress": {"__ndarray__": [[6], "float64", [9.947093093920151e-05, 0.00010365898356266915, 9.880308946273198e-05, 1.6290338818555303e-06, -1.8761976432405073e-05, -3.145096448532574e-05]]}, "unique_id": "d42c3bd9251309051807ef1165efd149", "user": "mse-gucc"}, "12": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [19.49543689, -0.017479732, -0.184682812, -0.017551361, 19.496185038, -0.039033498, -0.184486447, -0.038846324, 19.418751582]]}, "ctime": 20.602621476135567, "energy": -621.32410811, "forces": {"__ndarray__": [[84, 3], "float64", [0.009719, -0.016387, -0.010484, -0.032708, 0.034598, -0.003177, 0.026807, -0.019552, -0.00809, 0.015638, -0.028824, 0.022621, 0.030027, -0.00142, -0.016914, 0.023049, 0.002335, 0.016965, 0.002521, 0.004229, 0.043155, 0.002227, -0.022111, 0.014146, 0.005653, 0.020833, -0.035896, -0.005493, 0.028106, -0.015274, -0.014778, -0.0177, 0.001972, -0.010407, -0.001072, -0.003939, 0.010407, 0.001072, 0.003939, 0.014778, 0.0177, -0.001972, -0.005653, -0.020833, 0.035896, 0.005493, -0.028106, 0.015274, -0.002521, -0.004229, -0.043155, -0.023049, -0.002335, -0.016965, -0.002227, 0.022111, -0.014146, -0.026807, 0.019552, 0.00809, -0.030027, 0.00142, 0.016914, -0.015638, 0.028824, -0.022621, -0.009719, 0.016387, 0.010484, 0.032708, -0.034598, 0.003177, -0.02114, -0.044503, -0.025015, -0.045631, 0.024555, 0.038266, -0.001884, -0.007712, 0.068825, -0.039701, 0.023667, -0.020918, -0.040355, 0.030843, 0.041885, -0.011928, 0.025094, -0.031066, -0.033875, 0.008416, 0.000309, -0.0468, 0.016316, -0.011773, -0.037276, 0.073818, -0.009022, -0.017605, 0.039908, 0.036152, -0.021211, 0.065176, 0.00573, -0.025621, 0.015224, 0.013113, 0.008481, -0.007873, 0.045106, -0.017529, -0.00707, -0.030242, -0.013665, 0.024416, 0.014624, -0.042676, -0.02809, 0.03698, -0.028752, 0.004105, 0.002088, -0.030736, 0.026669, 0.013579, -0.03738, -0.019898, -0.015702, 0.05161, 0.043181, -0.025337, 0.002426, 0.00057, -0.06244, -0.004322, 0.010865, -0.018206, -0.000567, -0.000478, 0.026479, -0.020589, -0.04389, 0.034031, -0.030574, 0.006992, 0.007558, -0.031614, 0.057541, -0.073508, 0.001429, 0.014923, -0.012826, 0.005558, 0.051214, -0.016703, 0.016259, -0.013212, 0.006045, -0.022773, 0.027801, -0.067505, -0.005558, -0.051214, 0.016703, -0.016259, 0.013212, -0.006045, 0.030574, -0.006992, -0.007558, 0.022773, -0.027801, 0.067505, -0.001429, -0.014923, 0.012826, 0.031614, -0.057541, 0.073508, 0.004322, -0.010865, 0.018206, 0.020589, 0.04389, -0.034031, 0.000567, 0.000478, -0.026479, 0.030736, -0.026669, -0.013579, -0.002426, -0.00057, 0.06244, 0.042676, 0.02809, -0.03698, -0.05161, -0.043181, 0.025337, 0.028752, -0.004105, -0.002088, 0.03738, 0.019898, 0.015702, 0.017529, 0.00707, 0.030242, 0.013665, -0.024416, -0.014624, -0.008481, 0.007873, -0.045106, 0.037276, -0.073818, 0.009022, 0.025621, -0.015224, -0.013113, 0.021211, -0.065176, -0.00573, 0.0468, -0.016316, 0.011773, 0.017605, -0.039908, -0.036152, 0.033875, -0.008416, -0.000309, 0.001884, 0.007712, -0.068825, 0.011928, -0.025094, 0.031066, 0.040355, -0.030843, -0.041885, 0.039701, -0.023667, 0.020918, 0.02114, 0.044503, 0.025015, 0.045631, -0.024555, -0.038266]]}, "free_energy": -621.32410928, "key_value_pairs": {"perms_num": 2}, "mtime": 24.38219782522917, "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", [6.88807, 13.0772, 12.21273, 4.90381, 10.65332, 10.24188, 5.62066, 11.40907, 12.16995, 6.21597, 13.30061, 8.75394, 7.41888, 14.13407, 10.40093, 7.36679, 13.27902, 6.84303, 8.83473, 12.91048, 13.20179, 6.14567, 9.56318, 13.16924, 7.97881, 9.92402, 14.34228, 9.42182, 14.13392, 7.16055, 10.95816, 12.99656, 5.98838, 9.28799, 8.11435, 14.37171, 10.00541, 11.3255, 4.82333, 8.33524, 6.4433, 13.20666, 11.31459, 9.51584, 4.85275, 9.87158, 5.30594, 12.03448, 10.45867, 6.52938, 5.99325, 11.92661, 6.16083, 12.35201, 13.14772, 9.87668, 6.0258, 13.67274, 8.03079, 7.02509, 11.87452, 5.30579, 8.7941, 13.07742, 6.13925, 10.4411, 12.40533, 6.36266, 6.98231, 14.38959, 8.78654, 8.95315, 7.44742, 12.33815, 11.62514, 6.00733, 10.54333, 10.24358, 6.52049, 11.06532, 11.64312, 7.07017, 12.61778, 8.91887, 7.75711, 13.09653, 10.23666, 6.56068, 11.20407, 9.00932, 9.25322, 13.0921, 10.12983, 7.92053, 12.62418, 7.53514, 8.84475, 12.19765, 12.35245, 6.96625, 9.74389, 12.45502, 6.8608, 10.4851, 7.88443, 6.34822, 9.06693, 10.22518, 9.86346, 12.66615, 11.33086, 7.81808, 11.19976, 7.06335, 6.95213, 8.64799, 11.43114, 8.28476, 9.7507, 13.29381, 6.77282, 9.05821, 7.81115, 9.23584, 10.8361, 12.86795, 9.40723, 13.10379, 7.54979, 9.97056, 13.10283, 8.94707, 6.52026, 8.34901, 9.05461, 8.74314, 10.51196, 6.35027, 11.18959, 12.26724, 11.35378, 7.74362, 7.51401, 11.45742, 10.52153, 10.37607, 12.78044, 11.30917, 12.62567, 8.9503, 10.51637, 12.27857, 6.69971, 9.21537, 8.41735, 13.31538, 7.72252, 8.35134, 7.08093, 7.35401, 7.18861, 9.0584, 10.07803, 11.02251, 5.87965, 11.57088, 11.08852, 12.1141, 8.77187, 9.06378, 6.4146, 11.93939, 12.25125, 10.13664, 8.77703, 7.16129, 12.49532, 7.98422, 6.81419, 10.24474, 10.55025, 8.92789, 12.84476, 11.54978, 11.92585, 7.73762, 8.1038, 7.17262, 7.84125, 10.05756, 8.60376, 6.32709, 12.77314, 11.09085, 10.14042, 11.00864, 9.68916, 5.90123, 9.32284, 6.33703, 10.24796, 12.52057, 10.38165, 11.38389, 9.88617, 6.33607, 11.64525, 11.47532, 8.2401, 12.13169, 12.34126, 10.79187, 7.7639, 9.42994, 6.77371, 7.86417, 10.44865, 7.24221, 6.84259, 12.94518, 10.37293, 8.96986, 12.4326, 8.95476, 11.3106, 11.37287, 6.81567, 11.6599, 12.32715, 9.69597, 6.74002, 10.04017, 6.34776, 9.06521, 12.77291, 8.37453, 7.55191, 12.73271, 8.23579, 10.18572, 11.53629, 6.34333, 8.95838, 12.22323, 6.82208, 10.27616, 11.84598, 7.1017, 7.56989, 13.28607, 8.89653, 8.95145]]}, "stress": {"__ndarray__": [[6], "float64", [-5.250981627605585e-05, -2.9728307966581958e-05, -9.707419143486232e-05, -5.86077706920438e-06, 7.821859236556899e-05, 9.330431992282884e-05]]}, "unique_id": "294e56cf56436f672d8a820477e861f2", "user": "mse-gucc"}, "13": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [15.391592325, 0.0, 0.59580086, 0.0, 17.384704381, 0.0, 0.591625055, 0.0, 16.548296268]]}, "ctime": 20.602621506914318, "energy": -618.47989566, "forces": {"__ndarray__": [[84, 3], "float64", [-0.015332, 0.00761, 0.038072, 0.124355, -0.123568, 0.039092, 0.159383, 0.270152, -0.121746, -0.034316, 0.062951, -0.087153, 0.039223, -0.082393, 0.123269, -0.156242, -0.078261, 0.00674, 0.048037, -0.278466, -0.179662, 0.124355, 0.123568, 0.039092, -0.098548, -0.061288, 0.041352, 0.159383, -0.270152, -0.121746, -0.033037, 0.045658, -0.003832, 0.068005, -0.052005, -0.055627, -0.015332, -0.00761, 0.038072, -0.166293, -0.168186, -0.037324, -0.033037, -0.045658, -0.003832, -0.034316, -0.062951, -0.087153, 0.012099, -0.003468, 0.082255, 0.048037, 0.278466, -0.179662, 0.039223, 0.082393, 0.123269, -0.166293, 0.168186, -0.037324, -0.156242, 0.078261, 0.00674, -0.098548, 0.061288, 0.041352, 0.068005, 0.052005, -0.055627, 0.012099, 0.003468, 0.082255, -0.198887, 0.145147, -0.071116, -0.014885, 0.13481, -0.178739, -0.019452, 0.225719, 0.293151, 0.070363, 0.196666, -0.031091, 0.172377, 0.133555, -0.021461, -0.000113, 0.123968, 0.006007, 0.04007, 0.099453, -0.171702, -0.039339, 0.055645, -0.219715, 0.123473, 0.009686, 0.065759, 0.140877, 0.0, 0.77381, 0.029824, -0.040714, 0.051334, -0.014885, -0.13481, -0.178739, -0.002785, 0.045304, -0.214031, -0.001153, 0.002219, 0.227615, -0.019452, -0.225719, 0.293151, -0.674768, 0.0, 0.405366, 0.029824, 0.040714, 0.051334, -0.038962, 0.264494, 0.288942, 0.101844, -0.084151, 0.006449, 0.107367, -0.118178, -0.119063, -0.000113, -0.123968, 0.006007, -0.157644, -0.054178, -0.159749, -0.051097, 0.110934, 0.061412, -0.198887, -0.145147, -0.071116, 0.003319, 0.115217, -0.144543, -0.005917, 0.043727, -0.153462, -0.092024, -0.190831, -0.028746, -0.038962, -0.264494, 0.288942, -0.001153, -0.002219, 0.227615, 0.070363, -0.196666, -0.031091, -0.146257, -0.012863, -0.205897, 0.187748, -0.029458, -0.112958, -0.157644, 0.054178, -0.159749, 0.21739, 0.222682, -0.044571, 0.123473, -0.009686, 0.065759, 0.172377, -0.133555, -0.021461, 0.003319, -0.115217, -0.144543, 0.032265, -0.190503, 0.14526, -0.039339, -0.055645, -0.219715, -0.146257, 0.012863, -0.205897, -0.197748, 0.048126, 0.24247, 0.061535, 0.0, -0.255932, 0.04007, -0.099453, -0.171702, -0.13336, 0.267086, -0.029147, -0.002785, -0.045304, -0.214031, 0.187748, 0.029458, -0.112958, 0.250189, -0.210569, 0.099242, 0.101844, 0.084151, 0.006449, -0.092024, 0.190831, -0.028746, 0.119117, -0.103063, 0.133375, -0.13336, -0.267086, -0.029147, -0.051097, -0.110934, 0.061412, -0.133757, 0.0, -0.044167, 0.107367, 0.118178, -0.119063, 0.250189, 0.210569, 0.099242, -0.197748, -0.048126, 0.24247, -0.005917, -0.043727, -0.153462, 0.21739, -0.222682, -0.044571, 0.032265, 0.190503, 0.14526, 0.119117, 0.103063, 0.133375]]}, "free_energy": -618.55920345, "key_value_pairs": {"perms_num": 2}, "mtime": 24.382197825498288, "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", [5.19839, 11.88145, 10.9598, 3.30543, 9.87822, 9.13195, 4.51781, 9.75741, 11.12898, 4.67157, 12.21357, 7.6356, 5.88671, 13.04509, 9.20219, 6.01231, 12.32281, 5.76182, 7.08046, 11.91148, 12.15687, 3.30543, 7.50649, 9.13195, 8.37656, 13.06108, 10.76174, 4.51781, 7.6273, 11.12898, 7.22796, 9.78898, 12.81031, 10.32563, 12.23613, 11.17332, 5.19839, 5.50325, 10.9598, 9.56526, 9.89069, 13.05456, 7.22796, 7.59572, 12.81031, 4.67157, 5.17114, 7.6356, 11.45136, 12.28953, 9.16745, 7.08046, 5.47323, 12.15687, 5.88671, 4.33962, 9.20219, 9.56526, 7.49402, 13.05456, 6.01231, 5.06189, 5.76182, 8.37656, 4.32363, 10.76174, 10.32563, 5.14857, 11.17332, 11.45136, 5.09517, 9.16745, 5.90984, 11.24919, 10.4126, 4.34108, 9.50136, 9.01418, 5.20894, 9.8773, 10.2587, 5.51261, 11.51174, 7.76548, 6.2327, 11.9973, 9.07629, 4.9437, 10.11434, 7.79792, 7.73002, 12.05748, 9.0401, 6.38869, 11.53022, 6.43635, 7.27672, 11.26573, 11.27764, 6.08171, 8.69235, 10.39452, 5.24766, 9.41877, 6.6661, 4.34108, 7.88334, 9.01418, 8.34228, 12.01144, 10.40455, 6.17325, 10.14074, 5.83802, 5.20894, 7.50741, 10.2587, 7.21187, 8.69235, 11.08793, 5.24766, 7.96593, 6.6661, 7.71499, 9.88204, 11.81756, 7.86225, 11.72794, 6.62025, 8.45393, 12.07376, 7.89175, 4.9437, 7.27037, 7.79792, 7.13786, 9.43013, 5.1672, 9.84237, 11.52289, 10.47867, 5.90984, 6.13551, 10.4126, 9.21804, 9.50382, 12.0761, 9.85506, 11.7156, 7.87412, 8.83794, 11.03313, 5.90339, 7.71499, 7.50266, 11.81756, 6.17325, 7.24396, 5.83802, 5.51261, 5.87296, 7.76548, 8.51101, 9.86777, 5.1495, 10.04953, 10.12346, 11.00862, 7.13786, 7.95458, 5.1672, 10.66202, 11.51533, 9.11579, 7.27672, 6.11897, 11.27764, 6.2327, 5.3874, 9.07629, 9.21804, 7.88088, 12.0761, 10.08418, 11.03234, 6.67888, 6.38869, 5.85449, 6.43635, 8.51101, 7.51693, 5.1495, 11.28801, 10.12732, 9.04677, 9.32984, 8.69235, 5.17577, 7.73002, 5.32722, 9.0401, 10.93385, 9.41438, 10.24351, 8.34228, 5.37326, 10.40455, 10.04953, 7.26124, 11.00862, 10.92413, 9.87698, 6.63617, 7.86225, 5.65677, 6.62025, 8.83794, 6.35158, 5.90339, 11.50271, 9.43204, 7.88156, 10.93385, 7.97032, 10.24351, 9.84237, 5.86181, 10.47867, 10.55632, 8.69235, 5.91145, 8.45393, 5.31095, 7.89175, 10.92413, 7.50772, 6.63617, 11.28801, 7.25738, 9.04677, 9.85506, 5.66911, 7.87412, 10.66202, 5.86937, 9.11579, 10.08418, 6.35237, 6.67888, 11.50271, 7.95267, 7.88156]]}, "stress": {"__ndarray__": [[6], "float64", [6.076109134047352e-05, 2.6463998693745013e-05, -0.0005871824540357193, -0.0, 3.816682830477613e-05, -0.0]]}, "unique_id": "c8da6d65e7b2397e1094ce3d1adb7158", "user": "mse-gucc"}, "14": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [17.293919678, 0.0, 0.094473423, 0.0, 17.417688388, 0.0, 0.094537764, 0.0, 17.741621649]]}, "ctime": 20.60262153799556, "energy": -619.35700581, "forces": {"__ndarray__": [[84, 3], "float64", [-0.151093, 0.027511, 0.0074, -0.273494, -0.019389, -0.077848, -0.018396, 0.091, 0.104688, 0.061036, 0.019952, 0.013594, -0.145276, 0.327542, 0.18703, -0.014223, -0.004324, 0.150581, 0.053235, -0.024787, -0.023501, -0.272475, 0.027396, 0.125195, 0.000708, 0.22763, 0.129863, -0.156184, 0.087537, 0.053403, -0.000708, 0.22763, -0.129863, -0.154805, 0.059403, -0.250444, 0.014223, -0.004324, -0.150581, 0.154805, 0.059403, 0.250444, 0.145276, 0.327542, -0.18703, -0.053235, -0.024787, 0.023501, 0.156184, 0.087537, -0.053403, 0.087217, 0.101902, -0.238621, -0.061036, 0.019952, -0.013594, -0.087217, 0.101902, 0.238621, 0.151093, 0.027511, -0.0074, 0.018396, 0.091, -0.104688, 0.273494, -0.019389, 0.077848, 0.272475, 0.027396, -0.125195, -0.040932, -0.020931, 0.52817, -0.276063, 0.349781, -0.372102, -0.087172, 0.097222, 0.19638, -0.09291, 0.014694, 0.003042, -0.188171, 0.296738, -0.265146, 0.005063, -0.079752, 0.072321, 0.022587, -0.044132, -0.097437, -0.033995, 0.25931, -0.305889, -0.456334, 0.113918, 0.135548, 0.230515, -0.206537, 0.137982, -0.233596, -0.383925, -0.176073, 0.042935, -0.395514, 0.067234, 0.281168, 0.201183, 0.214833, -0.073667, -0.203216, 0.228468, -0.210994, -0.233489, 0.088955, -0.101718, -0.206701, 0.060875, 0.051089, -0.158948, -0.111331, 0.094707, -0.024102, 0.168501, -0.281168, 0.201183, -0.214833, -0.022587, -0.044132, 0.097437, -0.097584, 0.13802, 0.197899, -0.186297, 0.141359, 0.009286, 0.033995, 0.25931, 0.305889, 0.153639, -0.111397, 0.049213, 0.186297, 0.141359, -0.009286, 0.188171, 0.296738, 0.265146, 0.456334, 0.113918, -0.135548, 0.309121, -0.33114, 0.144813, 0.150332, 0.191884, -0.281788, -0.10841, 0.079029, -0.339286, -0.094707, -0.024102, -0.168501, 0.073667, -0.203216, -0.228468, 0.098157, -0.30575, -0.000407, 0.09291, 0.014694, -0.003042, -0.11162, -0.082128, 0.028503, -0.108536, -0.037227, -0.005981, -0.098157, -0.30575, 0.000407, 0.040932, -0.020931, -0.52817, 0.143592, -0.169551, 0.34208, -0.309121, -0.33114, -0.144813, -0.005063, -0.079752, -0.072321, 0.101718, -0.206701, -0.060875, -0.161056, 0.253442, 0.219459, 0.233596, -0.383925, 0.176073, 0.020706, -0.063512, 0.314259, -0.150332, 0.191884, 0.281788, 0.087172, 0.097222, -0.19638, -0.020706, -0.063512, -0.314259, 0.11162, -0.082128, -0.028503, 0.276063, 0.349781, 0.372102, -0.051089, -0.158948, 0.111331, -0.143592, -0.169551, -0.34208, -0.230515, -0.206537, -0.137982, 0.161056, 0.253442, -0.219459, 0.210994, -0.233489, -0.088955, 0.097584, 0.13802, -0.197899, 0.108536, -0.037227, 0.005981, 0.10841, 0.079029, 0.339286, -0.153639, -0.111397, -0.049213, -0.042935, -0.395514, -0.067234]]}, "free_energy": -619.45135873, "key_value_pairs": {"perms_num": 2}, "mtime": 24.38219782579353, "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", [5.8615, 11.92377, 11.40709, 3.93821, 9.73803, 9.57117, 4.78125, 10.02734, 11.58139, 5.29002, 12.07043, 8.14315, 6.80898, 12.83322, 9.61308, 6.53451, 12.06602, 6.1784, 7.69787, 11.91854, 12.5734, 4.00307, 7.42513, 9.77717, 8.87066, 12.83804, 10.93227, 8.01212, 10.02022, 13.6072, 8.5178, 12.83804, 6.90382, 7.19509, 9.71431, 4.33742, 10.85395, 12.06602, 11.65769, 10.19337, 9.71431, 13.49868, 10.57948, 12.83322, 8.22301, 9.69059, 11.91854, 5.26269, 9.37634, 10.02022, 4.2289, 7.39501, 7.3987, 4.33838, 12.09844, 12.07043, 9.69294, 9.99344, 7.3987, 13.49771, 11.52696, 11.92377, 6.42901, 12.60721, 10.02734, 6.25471, 13.45025, 9.73803, 8.26493, 13.38539, 7.42513, 8.05893, 6.47897, 11.16612, 10.91365, 4.98127, 9.38551, 9.53881, 5.6279, 9.86296, 10.89608, 6.13684, 11.36432, 8.25329, 6.89593, 11.74001, 9.54001, 5.61489, 9.97803, 8.34108, 8.34547, 11.52505, 9.47386, 6.98523, 11.35953, 6.9081, 7.86842, 11.16445, 11.79151, 6.35724, 8.64989, 11.34004, 5.9729, 9.26117, 7.21278, 5.00416, 7.81592, 9.54427, 8.91651, 11.74407, 10.80637, 6.82882, 9.9789, 6.38657, 5.97129, 7.4994, 10.65575, 7.53117, 8.65227, 12.0684, 5.84641, 7.8395, 7.14714, 8.24941, 9.86214, 12.54357, 8.47195, 11.74407, 7.02973, 9.04298, 11.52505, 8.36223, 5.53274, 7.13066, 8.31282, 7.62286, 9.3846, 5.29481, 10.40322, 11.35953, 10.92799, 6.74884, 6.34703, 10.69206, 9.7656, 9.3846, 12.54128, 10.49253, 11.74001, 8.29609, 9.52004, 11.16445, 6.04459, 8.31483, 7.50277, 12.12458, 6.7598, 7.13369, 6.35241, 6.35345, 5.95307, 8.32786, 9.13904, 9.86214, 5.29253, 10.55964, 9.9789, 11.44953, 7.64118, 7.8096, 5.33184, 11.25161, 11.36432, 9.5828, 7.95163, 6.3515, 11.43392, 6.96525, 5.51144, 9.50215, 9.74728, 7.8096, 12.50425, 10.90949, 11.16612, 6.92244, 7.12212, 5.95574, 7.07096, 9.07362, 7.50277, 5.71152, 11.77357, 9.97803, 9.49501, 9.85729, 8.65227, 5.7677, 8.31675, 5.01047, 9.52632, 11.41556, 9.26117, 10.62332, 8.93416, 5.52224, 10.71918, 10.62866, 7.13369, 11.48369, 11.76056, 9.86296, 6.94001, 8.45429, 5.52224, 7.11692, 9.43683, 6.3515, 6.40217, 12.40719, 9.38551, 8.29729, 11.54205, 7.8395, 10.68895, 10.26634, 5.95574, 10.76514, 11.03122, 8.64989, 6.49605, 9.07171, 5.01047, 8.30978, 11.41716, 7.4994, 7.18035, 11.85572, 7.13066, 9.52328, 10.42321, 5.51144, 8.33395, 11.035, 5.95307, 9.50824, 10.63962, 6.34703, 7.14404, 12.3843, 7.81592, 8.29182]]}, "stress": {"__ndarray__": [[6], "float64", [-0.0021170574804083428, -0.001746617672278045, -0.0026073592297921016, -0.0, 0.0003362613041569605, -0.0]]}, "unique_id": "ef42aa881e1ad2626d7a9e4f97f32cde", "user": "mse-gucc"}, "15": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [16.884009222, 0.0, -0.602368272, 0.0, 18.717367745, 0.0, -0.602911697, 0.0, 16.207198607]]}, "ctime": 20.602621569411706, "energy": -618.8153028, "forces": {"__ndarray__": [[84, 3], "float64", [0.035515, -0.112944, 0.019293, 0.052772, -0.058729, 0.163753, 0.167609, -0.005715, 0.098836, -0.085919, 0.049579, 0.110906, 0.073138, 0.186728, -0.058786, 0.063038, 0.199774, 0.041655, -0.035734, 0.195993, 0.0295, 0.052772, 0.058729, 0.163753, 0.167609, 0.005715, 0.098836, -0.082467, 0.197234, 0.168345, 0.12106, -0.129852, 0.062632, 0.035515, 0.112944, 0.019293, -0.157327, 0.069458, -0.011196, -0.085919, -0.049579, 0.110906, -0.040739, 0.131186, -0.083181, 0.12106, 0.129852, 0.062632, -0.035734, -0.195993, 0.0295, 0.073138, -0.186728, -0.058786, -0.152731, 0.048162, -0.020091, 0.063038, -0.199774, 0.041655, -0.040739, -0.131186, -0.083181, -0.082467, -0.197234, 0.168345, -0.157327, -0.069458, -0.011196, -0.152731, -0.048162, -0.020091, -0.083386, -0.156371, -0.206155, -0.148341, -0.34663, -0.183961, 0.006507, 0.055446, -0.150672, -0.004684, -0.082324, -0.103193, 0.086554, -0.19994, 0.18854, -0.000905, -0.130051, 0.162052, -0.143861, -0.016798, 0.033563, -0.154655, -0.322792, 0.151309, 0.098511, 0.19956, -0.177665, 0.31265, -0.0, -0.16683, 0.076811, -0.088271, -0.268983, -0.148341, 0.34663, -0.183961, 0.318633, 0.075654, 0.169946, 0.095784, -0.044863, -0.12804, 0.006507, -0.055446, -0.150672, 0.05392, -0.0, 0.147696, 0.076811, 0.088271, -0.268983, -0.195941, 0.036123, -0.018298, 0.219156, 0.273314, -0.10163, -0.066151, 0.032893, -0.114039, -0.000905, 0.130051, 0.162052, -0.237346, -0.246801, -0.080973, -0.059909, -0.070678, -0.018116, -0.083386, 0.156371, -0.206155, -0.055048, -0.040157, -0.336874, 0.164135, -0.045706, -0.107275, -0.241944, -0.275031, 0.128601, -0.195941, -0.036123, -0.018298, 0.095784, 0.044863, -0.12804, -0.004684, 0.082324, -0.103193, -0.003114, -0.203169, 0.226714, -0.149456, -0.054275, -0.135302, -0.237346, 0.246801, -0.080973, 0.113721, -0.16632, 0.147288, 0.098511, -0.19956, -0.177665, 0.086554, 0.19994, 0.18854, -0.055048, 0.040157, -0.336874, -0.027164, -0.063199, 0.140259, -0.154655, 0.322792, 0.151309, -0.003114, 0.203169, 0.226714, 0.045512, -0.061937, 0.163407, 0.160643, -0.0, -0.054893, -0.143861, 0.016798, 0.033563, -0.017458, 0.162354, 0.046465, 0.318633, -0.075654, 0.169946, -0.149456, 0.054275, -0.135302, 0.080342, 0.054086, 0.021255, 0.219156, -0.273314, -0.10163, -0.241944, 0.275031, 0.128601, 0.041195, 0.066464, 0.038457, -0.017458, -0.162354, 0.046465, -0.059909, 0.070678, -0.018116, 0.041357, -0.0, 0.057334, -0.066151, -0.032893, -0.114039, 0.080342, -0.054086, 0.021255, 0.045512, 0.061937, 0.163407, 0.164135, 0.045706, -0.107275, 0.113721, 0.16632, 0.147288, -0.027164, 0.063199, 0.140259, 0.041195, -0.066464, 0.038457]]}, "free_energy": -618.92445289, "key_value_pairs": {"perms_num": 2}, "mtime": 24.3821978260999, "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", [5.2102, 12.68687, 10.35283, 3.46031, 10.49585, 8.19477, 4.05408, 10.82995, 10.31465, 4.83343, 12.85403, 6.81251, 5.88523, 13.76502, 8.59852, 6.14228, 12.7726, 4.968, 7.13391, 12.55402, 11.51319, 3.46031, 8.22151, 8.19477, 4.05408, 7.88742, 10.31465, 8.14848, 13.74465, 5.45377, 6.98774, 10.52174, 3.31846, 5.2102, 6.0305, 10.35283, 9.63074, 12.65592, 4.26443, 4.83343, 5.86334, 6.81251, 9.25406, 10.76405, 3.23899, 6.98774, 8.19562, 3.31846, 7.13391, 6.16335, 11.51319, 5.88523, 4.95235, 8.59852, 11.31593, 12.57701, 5.7479, 6.14228, 5.94476, 4.968, 9.25406, 7.95332, 3.23899, 8.14848, 4.97271, 5.45377, 9.63074, 6.06145, 4.26443, 11.31593, 6.14035, 5.7479, 5.85267, 11.9667, 9.82687, 4.51417, 10.17058, 8.33067, 4.99248, 10.62062, 9.76449, 5.70363, 12.23535, 7.08788, 6.26457, 12.74543, 8.44844, 5.30423, 10.80021, 7.2458, 7.76956, 12.72885, 8.44489, 6.66699, 12.21538, 5.76406, 7.20596, 11.87001, 10.65074, 5.60556, 9.35868, 10.33367, 5.91146, 10.06219, 6.27051, 4.51417, 8.54678, 8.33067, 8.28067, 12.33124, 9.68264, 6.6827, 10.77052, 5.38579, 4.99248, 8.09675, 9.76449, 6.79207, 9.35868, 11.00956, 5.91146, 8.65518, 6.27051, 7.62594, 10.52619, 11.15922, 8.12733, 12.72812, 5.87392, 8.59011, 12.73198, 7.30884, 5.30423, 7.91716, 7.2458, 7.44642, 10.16549, 4.26929, 9.61773, 11.93623, 9.80191, 5.85267, 6.75067, 9.82687, 8.95604, 10.09961, 11.28839, 9.9272, 12.35367, 7.41659, 9.30245, 11.97051, 5.05434, 7.62594, 8.19117, 11.15922, 6.6827, 7.94685, 5.38579, 5.70363, 6.48202, 7.08788, 8.95243, 10.61792, 4.29018, 10.01449, 10.79902, 10.6428, 7.44642, 8.55188, 4.26929, 10.44258, 11.94243, 8.64528, 7.20596, 6.84736, 10.65074, 6.26457, 5.97194, 8.44844, 8.95604, 8.61776, 11.28839, 10.50869, 11.89387, 6.08404, 6.66699, 6.50199, 5.76406, 8.95243, 8.09945, 4.29018, 11.34362, 10.79495, 8.74005, 9.64792, 9.35868, 4.73459, 7.76956, 5.98852, 8.44489, 11.04656, 10.08342, 9.94728, 8.28067, 6.38613, 9.68264, 10.01449, 7.91835, 10.6428, 11.09884, 10.53555, 6.3097, 8.12733, 5.98925, 5.87392, 9.30245, 6.74685, 5.05434, 11.59712, 10.09411, 7.53576, 11.04656, 8.63395, 9.94728, 9.61773, 6.78114, 9.80191, 10.70858, 9.35868, 5.57258, 8.59011, 5.98539, 7.30884, 11.09884, 8.18182, 6.3097, 11.34362, 7.92242, 8.74005, 9.9272, 6.36369, 7.41659, 10.44258, 6.77494, 8.64528, 10.50869, 6.82349, 6.08404, 11.59712, 8.62325, 7.53576]]}, "stress": {"__ndarray__": [[6], "float64", [0.0007284465300818351, 0.0003020703171653721, 0.0012139860080025455, -0.0, -0.0006024179778120004, -0.0]]}, "unique_id": "9b5bf1d2aa503917b5dc63a367fecb62", "user": "mse-gucc"}, "16": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [13.046913155, -2.139316298, -3.103508543, -2.131041752, 10.930525756, -0.882301789, -3.091538704, -0.880897106, 11.471001437]]}, "ctime": 20.60262160171364, "energy": -552.04106175, "forces": {"__ndarray__": [[84, 3], "float64", [-0.175519, 5.052975, 3.539099, -4.151298, 0.207826, -1.494819, -1.068853, 0.888394, 1.450049, -2.391205, 1.7261, -1.737101, 0.007499, 4.944492, 1.65439, -2.288856, 2.211552, -2.895179, -1.837297, 1.105142, 2.099889, -3.124828, -2.630489, 0.700607, 0.619565, 2.072067, 5.752165, 0.352784, 2.632942, -1.177758, 0.403944, 1.827063, -0.765473, 1.293642, 0.561056, 5.46183, -1.293642, -0.561056, -5.46183, -0.403944, -1.827063, 0.765473, -0.619565, -2.072067, -5.752165, -0.352784, -2.632942, 1.177758, 3.124828, 2.630489, -0.700607, 2.288856, -2.211552, 2.895179, 1.837297, -1.105142, -2.099889, 1.068853, -0.888394, -1.450049, -0.007499, -4.944492, -1.65439, 2.391205, -1.7261, 1.737101, 0.175519, -5.052975, -3.539099, 4.151298, -0.207826, 1.494819, 4.84261, 3.251182, -0.344494, -3.931631, -3.616414, -11.836176, -0.165735, 3.192569, 11.834992, -5.296607, 1.623897, -12.485681, 6.392624, 5.98789, 11.390422, -4.332341, -0.933866, 1.451899, -0.143552, 3.487219, -0.474121, -1.266971, 5.453901, -0.949525, -0.562551, 2.09884, 1.264707, -3.239225, 9.1202, 5.551833, 0.330331, -2.214968, -5.45619, -3.343967, -0.87213, -1.150948, 4.243593, -0.157558, 2.365883, -2.62311, -5.536588, -1.782605, -2.738801, -10.685118, -5.104772, 6.879824, 0.657302, 2.411831, -1.202967, -6.171614, -2.844977, 0.11975, -0.016372, 2.736846, -1.060605, 2.365029, -7.428579, 4.057924, 1.291346, 6.355753, 0.88293, -5.901441, -6.628711, 0.932255, 0.86356, -3.503115, 2.135762, 1.34533, 1.14642, -5.954684, 1.816581, 2.040921, 4.422431, 2.197823, -0.555704, -1.701882, 6.0131, 5.600628, 0.886575, 12.873915, -1.712617, 5.444901, 9.992036, 4.987894, -1.464526, -1.493389, -1.548715, -2.515518, -0.561868, -7.390601, -5.444901, -9.992036, -4.987894, 1.464526, 1.493389, 1.548715, -4.422431, -2.197823, 0.555704, 2.515518, 0.561868, 7.390601, -0.886575, -12.873915, 1.712617, 1.701882, -6.0131, -5.600628, -0.932255, -0.86356, 3.503115, 5.954684, -1.816581, -2.040921, -2.135762, -1.34533, -1.14642, -0.11975, 0.016372, -2.736846, -0.88293, 5.901441, 6.628711, -6.879824, -0.657302, -2.411831, -4.057924, -1.291346, -6.355753, 1.202967, 6.171614, 2.844977, 1.060605, -2.365029, 7.428579, 2.62311, 5.536588, 1.782605, 2.738801, 10.685118, 5.104772, -4.243593, 0.157558, -2.365883, 0.562551, -2.09884, -1.264707, 3.343967, 0.87213, 1.150948, -0.330331, 2.214968, 5.45619, 1.266971, -5.453901, 0.949525, 3.239225, -9.1202, -5.551833, 0.143552, -3.487219, 0.474121, 0.165735, -3.192569, -11.834992, 4.332341, 0.933866, -1.451899, -6.392624, -5.98789, -11.390422, 5.296607, -1.623897, 12.485681, -4.84261, -3.251182, 0.344494, 3.931631, 3.616414, 11.836176]]}, "free_energy": -552.17009358, "key_value_pairs": {"perms_num": 2}, "mtime": 24.382197826433984, "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", [1.4317, 7.27156, 5.91062, -0.53127, 5.37721, 4.41483, -0.09579, 6.09514, 6.04402, 0.80284, 7.51522, 2.73953, 1.80064, 8.17508, 4.04932, 2.02062, 7.39481, 1.04095, 0.37246, 4.35987, 7.27645, 0.08867, 2.97953, 6.21876, 2.11182, 4.55836, 7.96705, 4.03478, 7.85635, 0.8323, 5.60489, 6.57528, -0.0509, 3.14464, 2.73896, 8.20435, 4.67969, 5.17135, -0.71916, 2.21944, 1.33504, 7.53609, 5.71252, 3.35195, -0.48186, 3.78956, 0.05396, 6.65289, 7.73567, 4.93078, 1.26643, 5.80371, 0.51551, 6.44424, 7.45187, 3.55044, 0.20874, 7.92012, 1.81518, 1.44117, 6.02369, -0.26477, 3.43587, 7.02149, 0.39509, 4.74567, 6.39263, 0.63875, 1.57457, 8.3556, 2.53311, 3.07036, 1.70692, 6.55153, 5.31201, 0.46195, 5.19232, 4.49404, 0.75531, 5.63128, 5.62933, 1.58404, 6.86715, 2.94073, 2.10151, 7.2274, 3.98702, 1.12766, 5.67932, 3.29145, 3.50766, 7.03232, 3.71965, 2.51032, 6.76973, 1.65726, 2.95648, 5.99231, 5.58034, 1.08537, 4.41986, 6.53001, 1.51242, 5.00124, 2.3128, 0.73146, 3.86366, 4.64933, 3.91371, 6.44577, 4.79105, 2.45811, 5.50017, 1.41052, 0.97811, 3.34649, 5.873, 2.28643, 4.21288, 7.07066, 1.44212, 3.75294, 2.47034, 3.20196, 4.99714, 6.35703, 3.94113, 7.00652, 1.41292, 4.2987, 6.99303, 2.64243, 1.0928, 3.22366, 3.67528, 3.37237, 4.72997, 0.85944, 5.1391, 5.92759, 4.77691, 1.95226, 2.27809, 5.85052, 4.40312, 4.46041, 6.36881, 5.50434, 6.26496, 2.61783, 5.05252, 6.06036, 0.71612, 3.13676, 2.9424, 7.23759, 2.41876, 3.01362, 1.89471, 1.87014, 2.08829, 3.78595, 4.68757, 4.96791, 0.2476, 5.40557, 4.89669, 5.59048, 3.42121, 3.44991, 1.11638, 5.95419, 5.82202, 3.69924, 2.77181, 1.84996, 6.76907, 2.32, 1.64535, 4.86737, 4.45196, 3.18034, 6.62575, 5.87208, 5.63222, 1.63467, 2.68523, 1.98272, 2.70828, 4.62237, 2.91318, 1.12816, 6.73154, 4.68665, 3.80991, 5.5379, 3.69744, 0.41454, 3.52564, 0.91728, 4.84276, 6.38222, 4.15737, 5.01485, 3.8832, 0.9038, 6.07227, 5.36622, 2.41014, 6.07467, 6.84622, 4.56382, 1.61219, 3.91062, 1.46454, 2.69414, 4.86786, 1.91801, 1.90485, 7.09287, 4.04665, 2.83586, 6.31191, 2.90907, 5.17239, 5.31401, 1.14058, 5.82793, 6.73896, 3.49046, 0.95518, 4.31667, 0.87799, 3.76554, 7.06902, 2.27903, 1.85586, 6.69668, 2.23099, 4.19374, 5.72282, 0.68291, 3.49817, 6.2403, 1.04316, 4.54446, 6.11741, 1.35878, 2.17318, 7.36238, 2.71799, 2.99115]]}, "stress": {"__ndarray__": [[6], "float64", [-0.1503271217874458, -0.25466551858450387, -0.26639358261693097, -0.03315452822765345, -0.058559604966119345, -0.01686104368849869]]}, "unique_id": "45f84daec949275275996f2295363af7", "user": "mse-gucc"}, "17": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [18.795965365, 0.194079275, -0.50185193, 0.193769631, 18.368365709, 0.268261142, -0.501925724, 0.268356604, 18.449715852]]}, "ctime": 20.602621633379055, "energy": -617.66986102, "forces": {"__ndarray__": [[84, 3], "float64", [-0.180034, 0.139604, 0.182401, 0.070627, 0.012642, 0.034857, -0.122204, 0.107184, 0.071596, 0.150521, -0.044409, 0.048629, -0.036751, -0.000509, 0.027742, -0.041336, -0.001051, -0.081023, 0.022936, -0.005256, -0.030522, -0.133326, 0.046231, 0.122705, 0.084749, -0.266215, 0.259035, 0.095563, 0.117217, 0.043637, 0.089794, 0.088805, -0.097301, 0.047593, -0.11091, 0.029671, -0.047593, 0.11091, -0.029671, -0.089794, -0.088805, 0.097301, -0.095563, -0.117217, -0.043637, -0.084749, 0.266215, -0.259035, 0.133326, -0.046231, -0.122705, 0.041336, 0.001051, 0.081023, -0.022936, 0.005256, 0.030522, 0.122204, -0.107184, -0.071596, 0.036751, 0.000509, -0.027742, -0.150521, 0.044409, -0.048629, 0.180034, -0.139604, -0.182401, -0.070627, -0.012642, -0.034857, -0.000433, 0.221039, 0.059258, -0.337484, -0.154892, -0.233763, 0.021384, -0.10828, 0.049509, -0.102505, 0.074662, -0.003729, 0.122369, 0.224413, -0.299103, 0.120842, 0.015204, -0.406149, -0.01667, -0.107595, 0.046308, -0.222809, 0.395476, 0.172465, 0.369161, -0.297245, 0.305396, -0.004028, -0.320949, 0.233124, -0.038925, 0.097002, 0.081757, -0.063123, 0.034547, -0.031634, -0.24855, 0.357049, -0.324857, -0.02849, -0.264076, -0.137958, -0.140629, 0.010598, 0.066907, 0.006381, 0.14847, 0.132087, 0.140529, -0.259412, -0.239396, -0.154522, -0.006396, -0.075162, 0.04713, 0.074641, 0.094486, 0.170254, 0.298614, -0.307994, 0.236001, -0.053347, -0.107633, -0.086079, 0.126873, 0.184617, 0.196917, -0.269138, 0.201371, -0.08161, -0.274281, -0.094279, 0.292331, 0.026946, 0.060248, -0.065176, 0.299487, -0.20908, -0.164351, 0.052958, -0.274201, -0.000578, -0.037528, 0.169267, -0.067159, 0.019161, 0.173403, -0.013652, 0.219738, -0.044614, 0.000578, 0.037528, -0.169267, 0.067159, -0.019161, -0.173403, -0.292331, -0.026946, -0.060248, 0.013652, -0.219738, 0.044614, 0.164351, -0.052958, 0.274201, 0.065176, -0.299487, 0.20908, 0.086079, -0.126873, -0.184617, 0.08161, 0.274281, 0.094279, -0.196917, 0.269138, -0.201371, 0.154522, 0.006396, 0.075162, -0.236001, 0.053347, 0.107633, -0.006381, -0.14847, -0.132087, -0.170254, -0.298614, 0.307994, -0.140529, 0.259412, 0.239396, -0.04713, -0.074641, -0.094486, 0.02849, 0.264076, 0.137958, 0.140629, -0.010598, -0.066907, 0.24855, -0.357049, 0.324857, -0.369161, 0.297245, -0.305396, 0.063123, -0.034547, 0.031634, 0.038925, -0.097002, -0.081757, 0.222809, -0.395476, -0.172465, 0.004028, 0.320949, -0.233124, 0.01667, 0.107595, -0.046308, -0.021384, 0.10828, -0.049509, -0.120842, -0.015204, 0.406149, -0.122369, -0.224413, 0.299103, 0.102505, -0.074662, 0.003729, 0.000433, -0.221039, -0.059258, 0.337484, 0.154892, 0.233763]]}, "free_energy": -617.85281266, "key_value_pairs": {"perms_num": 2}, "mtime": 24.382197826786093, "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", [6.78291, 12.7029, 11.89563, 4.49017, 10.51841, 9.82544, 5.27072, 11.16694, 11.76197, 5.92257, 13.10191, 8.3814, 7.11201, 13.8474, 10.05028, 7.07416, 13.05205, 6.5095, 5.9759, 9.44719, 12.91809, 5.12615, 7.87443, 11.51421, 9.05534, 13.86187, 6.60806, 9.99363, 14.22271, 8.55689, 6.31149, 6.09601, 11.48233, 10.36595, 12.59704, 5.3865, 8.12186, 6.23376, 12.82963, 12.17632, 12.73479, 6.73379, 8.49417, 4.60809, 9.65923, 9.43247, 4.96893, 11.60807, 13.36166, 10.95637, 6.70192, 11.41365, 5.77875, 11.70663, 12.51191, 9.38361, 5.29803, 13.21709, 7.66387, 6.45416, 11.3758, 4.9834, 8.16585, 12.56524, 5.72889, 9.83473, 11.7049, 6.12791, 6.3205, 13.99763, 8.31239, 8.39068, 7.16303, 11.96798, 11.17661, 5.59414, 10.33085, 9.82317, 6.1321, 10.78949, 11.20665, 6.75326, 12.38134, 8.54165, 7.4539, 12.81305, 9.86075, 6.16877, 11.00264, 8.62094, 8.95366, 12.83041, 9.75374, 7.62223, 12.37128, 7.181, 8.53401, 11.61696, 11.64117, 6.54994, 9.45347, 11.97363, 6.42591, 10.29427, 7.45455, 5.81609, 8.82831, 9.7684, 9.54752, 12.28109, 10.88132, 7.41426, 10.98808, 6.67886, 6.08637, 8.22292, 11.10776, 7.98995, 9.3173, 12.2981, 6.2787, 8.88789, 7.36931, 8.87621, 10.46642, 12.31477, 9.10638, 12.88717, 7.13382, 9.76341, 13.13404, 8.53899, 6.03465, 8.17585, 8.60097, 8.33529, 10.26558, 5.9505, 10.90672, 11.88407, 10.90495, 6.98206, 6.8796, 11.07526, 10.22589, 9.99396, 12.31048, 11.07316, 12.36393, 8.51902, 10.17949, 12.02032, 6.31195, 8.754, 8.17748, 12.26711, 7.25031, 8.14996, 6.61205, 6.86198, 6.95287, 8.56398, 9.73381, 10.65332, 5.94902, 11.2375, 10.68084, 11.60408, 8.26192, 8.83684, 5.90565, 11.62583, 11.87793, 9.65215, 8.30832, 6.81048, 11.90418, 7.41465, 6.46687, 9.69711, 10.15252, 8.56522, 12.26562, 11.50575, 11.95121, 7.14087, 7.58109, 6.94673, 7.31117, 9.6116, 8.36438, 5.90135, 12.45316, 10.65495, 9.61516, 10.49786, 9.5135, 5.91802, 8.7244, 5.69676, 9.67713, 12.20911, 9.94291, 10.84681, 9.38143, 5.94363, 11.08231, 11.07355, 7.84272, 11.53727, 12.40144, 10.60788, 7.10836, 8.94029, 6.54971, 7.33481, 9.95379, 7.21384, 6.57495, 12.67172, 10.00249, 8.44773, 12.0619, 8.53653, 10.76157, 10.86558, 6.45952, 11.03512, 11.93787, 9.37733, 6.24249, 9.53415, 6.00039, 8.46238, 12.35571, 8.04132, 7.00948, 12.31904, 7.82816, 9.59518, 11.03391, 6.01775, 8.35538, 11.73455, 6.44946, 9.67447, 11.32478, 6.86282, 7.03952, 12.89367, 8.49996, 8.39295]]}, "stress": {"__ndarray__": [[6], "float64", [-0.0004130006588596951, -0.0007696904223856715, -0.0005391415582937959, 8.974665972107537e-05, -0.00012257075621409543, -0.0001601633656792903]]}, "unique_id": "8b02a3888f76529246daf38bf579cfb7", "user": "mse-gucc"}, "18": { "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": 20.60262166019238, "energy": -616.41797853, "forces": {"__ndarray__": [[84, 3], "float64", [0.00168, 0.002699, -0.000735, 0.001083, 0.002719, 0.002642, 0.003536, 0.001079, 0.00213, 0.000679, -0.000622, -8.9e-05, 0.001007, 0.001958, 0.000393, -0.002047, 0.00031, 0.000612, 0.000648, -0.000424, 0.001246, 0.002551, -0.000299, -0.000328, -0.000185, -0.004033, -0.001246, -0.001233, -6.4e-05, -0.002525, -0.000326, 0.001494, -0.000969, 0.000691, 0.000346, -0.00213, -0.001645, -0.001902, 0.000368, -0.00059, -0.002808, -0.000867, -0.000937, -0.000266, -0.002135, 0.000461, -0.003457, 1.7e-05, -0.003248, -0.000605, 0.001667, 0.004116, 0.001462, -0.000695, 0.001832, 0.001063, -0.00106, 0.002167, -0.000684, 0.001513, -0.002304, -0.001645, 0.002136, 0.000664, -0.000206, -0.002406, -0.001257, 0.000923, 0.000638, -0.000297, 0.000638, 0.002638, -0.001537, 0.00414, 0.004453, 0.0005, -0.00143, -0.001205, 0.001521, 0.000937, 0.001283, -0.003894, -0.000575, -0.003335, 0.002579, -1e-06, 0.002101, -0.000205, -0.000724, 0.007014, -0.001315, -0.002965, 0.00084, -0.000482, 0.002142, -0.005852, 0.001158, -0.002515, -0.000611, -0.001047, 0.001771, -0.001738, -0.001264, -8.3e-05, -0.001041, 0.00176, -0.000231, 0.003229, -0.002041, 0.003429, 0.000644, 0.002709, 0.002775, -0.000565, -0.000664, 0.001811, -0.0004, -5.9e-05, 0.00504, -0.002417, -0.001304, -0.000878, 0.007267, -0.002632, 0.005034, 0.006468, -0.002005, -0.000686, -0.003436, -0.001123, -0.003506, -0.00178, -0.00094, 0.002653, -0.003578, -0.00287, 0.007902, 0.000468, 0.000167, 0.002606, -0.007929, 0.001579, -0.001659, 0.001244, 0.004089, -0.000341, -0.001377, 0.004642, -0.002669, 0.001673, -0.000383, 0.001017, 0.000278, -0.00349, -0.004512, 0.003468, 0.000903, -0.001589, -0.001242, -0.001209, -0.003537, 0.003581, -0.004474, -0.000168, -0.00199, -0.000525, -0.004572, 0.003437, -0.000946, -0.006361, -0.000514, -0.00202, 0.002129, 0.000336, -0.002219, 8.3e-05, -0.001087, -0.000391, -0.002332, -0.00056, 0.001382, -0.004849, -0.004569, -0.002828, 0.002078, -0.001389, 0.000202, 0.003535, -0.000736, 0.004349, -0.002288, 0.004428, 0.002604, -0.003589, -0.003322, 0.006334, -0.002505, 0.001465, -0.001403, 0.001117, -0.001697, -0.000384, 0.003712, 0.001535, -0.00026, 0.002335, 0.000899, -0.002546, 0.001701, 0.000958, 0.003321, -0.00153, 0.001149, -0.002896, -0.002412, -0.000895, 0.0003, 0.003776, -0.005982, -0.003286, -0.000837, -0.000547, 0.002237, 0.002663, 0.000112, 0.001014, -0.001125, -0.001491, -0.00453, 0.001751, -0.002633, -0.00265, -0.00461, -0.00311, -0.001221, -0.000753, 0.0015, 0.005792, 0.001681, 0.003944, -0.00235, -0.00232, -0.003731, 0.003394, 0.001634, 0.003021, 0.002209, -0.000264, 0.003074, 0.001602, 0.001287, 7.7e-05]]}, "free_energy": -616.64182646, "key_value_pairs": {"perms_num": 1}, "mtime": 24.382197827153647, "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", [7.31965, 13.27902, 12.69667, 5.2211, 10.89342, 10.6249, 5.90453, 11.66598, 12.55546, 6.53021, 13.54293, 9.17952, 7.70345, 14.3943, 10.82129, 7.7086, 13.56153, 7.30331, 6.63015, 9.9841, 13.78882, 5.89442, 8.36148, 12.42086, 9.6795, 14.41073, 7.44383, 10.62647, 14.82211, 9.37433, 7.33674, 6.72005, 12.74966, 11.05424, 13.1993, 6.21044, 7.42657, 5.69601, 10.75258, 12.82561, 13.39931, 7.57769, 9.51442, 5.00442, 10.94341, 10.4154, 5.93437, 12.70891, 13.94225, 11.52058, 7.25019, 14.88803, 11.11812, 9.24695, 10.44904, 5.10001, 9.00974, 13.73928, 8.34888, 7.29077, 14.52291, 8.06062, 10.99041, 12.55242, 5.7917, 8.98495, 13.21504, 6.27275, 11.01634, 14.90101, 8.9191, 9.0568, 7.7849, 12.54957, 12.0127, 6.32787, 10.76642, 10.65152, 6.80379, 11.29974, 12.04433, 7.39302, 12.87214, 9.34766, 8.07495, 13.36655, 10.65285, 6.88641, 11.45457, 9.4381, 9.57951, 13.41069, 10.56196, 8.25935, 12.89467, 7.98774, 9.17232, 12.2671, 12.52092, 7.25817, 9.99786, 12.87991, 7.18845, 10.74549, 8.2997, 6.62817, 9.27786, 10.657, 10.15988, 12.90315, 11.70031, 8.09871, 11.48732, 7.47911, 6.86274, 8.71299, 12.01656, 8.68772, 9.9925, 13.27536, 7.14619, 9.31168, 8.26547, 9.52956, 11.12711, 13.22432, 9.75037, 13.44237, 7.95515, 10.406, 13.73012, 9.34805, 6.93442, 8.59296, 9.51633, 9.07197, 10.79485, 6.77526, 11.53672, 12.50052, 11.73445, 7.82077, 7.42318, 12.04553, 10.93152, 10.677, 13.21469, 11.72828, 12.98427, 9.34247, 10.84758, 12.60726, 7.12013, 9.54392, 8.84784, 13.17336, 8.09077, 8.61227, 7.53265, 7.69421, 7.37777, 9.48858, 10.41131, 11.24565, 6.72546, 11.9101, 11.38646, 12.46761, 9.06775, 9.32305, 6.78514, 12.2842, 12.47964, 10.48319, 9.2057, 7.69386, 12.52711, 8.05988, 6.59971, 10.69749, 10.93157, 9.29217, 13.20239, 12.19263, 12.58689, 7.98263, 8.46824, 7.41744, 8.30593, 10.38513, 8.89511, 6.79734, 13.20632, 11.3831, 10.51147, 11.23624, 10.07812, 6.82655, 9.58464, 6.07544, 10.7153, 12.93039, 10.65882, 11.69461, 10.24941, 6.7459, 11.96372, 11.89088, 8.58637, 12.40273, 13.12355, 11.27716, 7.95385, 9.78113, 6.97278, 8.28044, 10.76066, 7.76502, 7.59786, 13.83307, 10.7949, 9.30264, 12.94742, 9.27314, 11.72022, 11.57063, 7.42552, 11.73961, 12.43902, 10.04337, 7.47248, 10.41711, 6.14428, 9.36356, 13.01851, 8.75741, 8.03578, 13.53914, 8.41314, 10.63747, 11.94745, 6.64967, 9.33229, 12.58595, 7.11318, 10.66896, 11.96389, 7.71094, 8.26061, 13.86061, 9.18293, 9.28502]]}, "stress": {"__ndarray__": [[6], "float64", [9.694311974321878e-05, 9.919630453766263e-05, 9.159414642233681e-05, -2.618937229220615e-05, -1.1964972994318206e-05, 7.271358131653995e-06]]}, "unique_id": "d910b5b0081c66e174cd4761e7597a8a", "user": "mse-gucc"}, "19": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [11.954564001, -1.161283062, -4.229977571, -1.159769437, 10.639147763, -0.788573603, -4.229393178, -0.789917928, 13.042519031]]}, "ctime": 20.602621692033345, "energy": -554.81321068, "forces": {"__ndarray__": [[84, 3], "float64", [0.348367, 2.886875, 1.754986, -3.745974, 0.76952, -1.480897, -1.474945, 0.669767, 0.437055, -3.57872, 2.924812, -1.777771, -0.623222, 4.715073, 1.531726, -3.003372, 3.355481, -3.279694, -1.900066, -0.17313, 0.081617, 0.723349, 0.606825, 3.000968, 0.120568, 3.893513, -1.705883, 1.774878, 4.366332, 1.390514, 1.312193, 2.281311, -0.562381, 1.247655, -0.06299, 2.398232, -1.247655, 0.06299, -2.398232, -1.312193, -2.281311, 0.562381, -0.723349, -0.606825, -3.000968, -1.774878, -4.366332, -1.390514, -0.120568, -3.893513, 1.705883, 3.003372, -3.355481, 3.279694, 1.900066, 0.17313, -0.081617, 1.474945, -0.669767, -0.437055, 0.623222, -4.715073, -1.531726, 3.57872, -2.924812, 1.777771, -0.348367, -2.886875, -1.754986, 3.745974, -0.76952, 1.480897, 2.423548, 6.012583, 0.172807, -1.813447, -0.359032, -5.931639, -3.75002, -1.343796, 5.110547, -1.090462, 4.407232, -6.980078, 0.437125, 4.052873, 7.297362, -4.81625, -1.908027, 4.055477, 2.23577, 3.356774, -2.53217, -2.47335, 5.981839, 2.307162, 2.231862, 2.99304, 0.801504, -8.634161, 3.610052, 1.633516, -0.028637, 0.281308, -4.167071, -5.431349, 2.192606, -7.773903, 4.006423, -0.848702, 2.178163, -1.610885, -4.436527, -3.575281, -0.473254, -5.987917, 2.921616, 6.082594, -0.60634, 8.085476, -2.899768, -8.173931, -2.904329, 2.045314, 1.669895, 3.074397, 1.498777, 2.002629, -5.515531, 1.346141, 0.205737, 5.989086, -0.669848, -3.277126, -8.109697, -2.327583, 2.943314, -2.965642, 2.406708, 1.134361, 1.004138, -4.467078, 1.499983, 0.392624, 4.906881, 4.673954, -0.269275, 0.910525, 3.705587, 6.837499, 0.130983, 10.080905, 1.119402, 3.236023, 5.230571, 8.699952, -3.421087, -1.889986, -1.148656, -2.143479, -0.082244, -5.128896, -3.236023, -5.230571, -8.699952, 3.421087, 1.889986, 1.148656, -4.906881, -4.673954, 0.269275, 2.143479, 0.082244, 5.128896, -0.130983, -10.080905, -1.119402, -0.910525, -3.705587, -6.837499, 2.327583, -2.943314, 2.965642, 4.467078, -1.499983, -0.392624, -2.406708, -1.134361, -1.004138, -2.045314, -1.669895, -3.074397, 0.669848, 3.277126, 8.109697, -6.082594, 0.60634, -8.085476, -1.346141, -0.205737, -5.989086, 2.899768, 8.173931, 2.904329, -1.498777, -2.002629, 5.515531, 1.610885, 4.436527, 3.575281, 0.473254, 5.987917, -2.921616, -4.006423, 0.848702, -2.178163, -2.231862, -2.99304, -0.801504, 5.431349, -2.192606, 7.773903, 0.028637, -0.281308, 4.167071, 2.47335, -5.981839, -2.307162, 8.634161, -3.610052, -1.633516, -2.23577, -3.356774, 2.53217, 3.75002, 1.343796, -5.110547, 4.81625, 1.908027, -4.055477, -0.437125, -4.052873, -7.297362, 1.090462, -4.407232, 6.980078, -2.423548, -6.012583, -0.172807, 1.813447, 0.359032, 5.931639]]}, "free_energy": -554.94820518, "key_value_pairs": {"perms_num": 2}, "mtime": 24.382197827556464, "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", [0.89578, 7.5743, 6.65883, -0.89515, 6.03011, 4.73385, -0.54098, 6.30735, 6.65727, 0.58513, 7.9328, 3.38728, 1.59166, 8.56375, 4.80146, 1.71972, 7.88733, 1.67725, -0.30792, 4.41325, 7.43727, 1.22638, 4.44252, 8.49069, 3.65044, 8.3685, 1.56494, 4.27748, 8.58616, 3.31783, 5.17872, 7.34793, 0.73055, 2.14823, 2.59993, 8.48895, 4.41717, 6.08801, -0.46498, 1.38668, 1.34002, 7.29342, 5.33902, 4.24542, -0.46672, 2.28792, 0.10178, 4.70614, 2.91496, 0.31944, 6.45903, 4.84568, 0.80061, 6.34671, 6.87332, 4.27469, 0.58669, 7.10638, 2.3806, 1.3667, 4.97374, 0.1242, 3.22251, 5.98027, 0.75515, 4.63669, 5.66962, 1.11365, 1.36513, 7.46055, 2.65783, 3.29011, 1.24629, 6.86834, 5.99309, 0.03699, 5.63168, 4.8332, 0.29297, 5.93584, 6.12581, 1.34744, 7.29385, 3.529, 1.76187, 7.58297, 4.7105, 0.85246, 6.11751, 3.7064, 3.09353, 7.37445, 4.55703, 2.20455, 7.25404, 2.25371, 2.38249, 6.21331, 6.33589, 0.539, 4.59473, 6.80968, 1.11962, 5.54284, 2.62604, 0.20513, 4.26211, 4.84023, 3.4138, 6.74801, 5.6111, 2.11143, 6.05028, 1.84754, 0.69216, 3.74826, 5.82699, 1.56061, 4.27437, 7.52142, 0.90517, 4.33487, 2.5943, 2.50351, 5.12385, 6.99515, 3.5279, 7.52118, 2.0889, 3.96029, 7.63929, 3.35401, 0.50139, 3.68233, 3.75348, 2.98388, 5.43042, 1.05473, 4.6162, 6.19566, 5.53166, 1.33066, 2.60077, 5.79588, 3.66551, 4.51985, 6.87577, 5.01862, 6.73614, 3.26915, 4.58272, 6.68423, 1.27662, 2.30269, 2.96056, 7.51315, 1.87924, 3.67216, 1.88765, 1.17597, 2.51007, 3.66864, 4.26271, 5.72739, 0.51082, 4.68616, 5.01579, 6.13632, 2.89989, 4.1681, 1.14819, 5.38943, 6.17788, 4.35532, 1.98268, 2.00371, 6.74735, 1.54678, 1.95181, 4.75482, 3.58152, 3.25753, 6.96924, 5.23474, 6.08717, 2.22808, 1.94921, 2.49228, 2.49231, 4.06189, 3.56409, 1.02882, 6.06401, 5.00561, 4.27048, 5.00479, 4.41358, 0.50255, 2.60511, 1.04866, 4.66996, 5.66023, 4.35308, 5.42966, 3.0375, 1.16677, 5.93507, 4.45397, 2.63767, 6.17643, 5.87324, 4.93969, 2.19698, 3.15161, 1.93994, 2.41287, 4.18291, 2.47464, 1.68807, 6.36027, 4.42584, 3.18374, 5.44578, 3.1451, 5.39792, 4.36086, 1.4339, 5.77026, 6.0264, 4.09321, 1.21429, 3.47188, 1.3135, 3.46694, 6.27243, 2.7521, 1.89816, 5.71294, 2.57044, 4.31757, 4.80353, 1.10497, 3.31347, 5.21796, 1.3941, 4.49497, 5.31912, 1.81961, 2.03088, 6.52841, 3.05626, 3.19076]]}, "stress": {"__ndarray__": [[6], "float64", [-0.18641675713060063, -0.27880577222313696, -0.2251389486758887, -0.021466553408341936, -0.07184667314800952, 0.0030188619264615853]]}, "unique_id": "ea96102960e0c90f95e6e9bd2b50382f", "user": "mse-gucc"}, "20": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [17.285108035, -0.8735138, -1.61350658, -0.864896175, 15.423503951, -0.9815935, -1.606620479, -0.981176261, 16.183181602]]}, "ctime": 20.60262172518235, "energy": -620.06395513, "forces": {"__ndarray__": [[84, 3], "float64", [-0.001373, 0.16357, -0.1718, 0.024272, 0.254205, -0.077682, 0.120564, -0.020983, -0.009861, 0.01618, -0.11407, 0.031082, -0.21916, -0.029292, 0.071431, -0.136445, 0.054912, 0.113839, -0.097375, -0.063439, 0.075188, 0.051073, 0.009798, 0.158919, 0.047122, -0.075095, -0.155243, 0.022572, 0.285615, 0.213677, -0.11681, 0.09493, 0.038609, -0.114377, 0.010997, 0.060924, 0.114377, -0.010997, -0.060924, 0.11681, -0.09493, -0.038609, -0.022572, -0.285615, -0.213677, -0.051073, -0.009798, -0.158919, -0.047122, 0.075095, 0.155243, 0.136445, -0.054912, -0.113839, 0.097375, 0.063439, -0.075188, -0.120564, 0.020983, 0.009861, 0.21916, 0.029292, -0.071431, -0.01618, 0.11407, -0.031082, 0.001373, -0.16357, 0.1718, -0.024272, -0.254205, 0.077682, 0.123849, 0.159201, 0.127121, 0.182998, -0.072197, -0.328364, 0.264968, -0.037594, 0.015105, -0.109352, -0.03746, -0.036387, -0.063081, 0.074449, -0.026454, 0.192894, 0.089781, 0.047004, 0.031881, 0.052644, -0.124874, 0.020277, 0.051271, 0.03638, 0.026598, 0.102185, -0.010196, 0.084312, 0.087038, 0.114425, -0.40844, -0.280481, -0.243941, -0.169375, -0.180708, 0.181989, -0.1485, 0.134336, 0.034535, -0.031289, -0.068719, 0.0369, -0.078088, -0.355863, -0.097952, -0.116881, 0.067497, -0.006684, -0.121023, -0.090364, -0.091025, -0.256274, -0.002095, 0.081349, 0.100965, 0.016888, -0.084261, 0.013621, -0.123252, 0.116296, -0.102847, 0.005362, 0.029753, 0.066459, -0.179423, 0.236414, 0.136109, -0.247904, 0.044898, 0.038316, 0.151343, 0.139031, 0.305555, 0.04495, 0.029381, -0.116255, 0.11058, 0.187716, -0.064014, 0.165927, 0.022903, -0.241928, 0.028816, -0.083796, 0.170561, 0.07377, -0.117927, -0.180146, 0.156998, 0.131736, 0.241928, -0.028816, 0.083796, -0.170561, -0.07377, 0.117927, -0.305555, -0.04495, -0.029381, 0.180146, -0.156998, -0.131736, 0.064014, -0.165927, -0.022903, 0.116255, -0.11058, -0.187716, -0.066459, 0.179423, -0.236414, -0.038316, -0.151343, -0.139031, -0.136109, 0.247904, -0.044898, 0.256274, 0.002095, -0.081349, 0.102847, -0.005362, -0.029753, 0.116881, -0.067497, 0.006684, -0.013621, 0.123252, -0.116296, 0.121023, 0.090364, 0.091025, -0.100965, -0.016888, 0.084261, 0.031289, 0.068719, -0.0369, 0.078088, 0.355863, 0.097952, 0.1485, -0.134336, -0.034535, -0.026598, -0.102185, 0.010196, 0.169375, 0.180708, -0.181989, 0.40844, 0.280481, 0.243941, -0.020277, -0.051271, -0.03638, -0.084312, -0.087038, -0.114425, -0.031881, -0.052644, 0.124874, -0.264968, 0.037594, -0.015105, -0.192894, -0.089781, -0.047004, 0.063081, -0.074449, 0.026454, 0.109352, 0.03746, 0.036387, -0.123849, -0.159201, -0.127121, -0.182998, 0.072197, 0.328364]]}, "free_energy": -620.24670856, "key_value_pairs": {"perms_num": 2}, "mtime": 24.382197827974053, "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", [4.82508, 10.09263, 9.5095, 2.62681, 7.84658, 7.2452, 3.27464, 8.60291, 9.25496, 4.17069, 10.56044, 5.87596, 5.33993, 11.28504, 7.63029, 5.45182, 10.48214, 3.99322, 3.74112, 6.64819, 10.20096, 5.54958, 6.98417, 11.44302, 7.45357, 11.26497, 4.48068, 6.0814, 7.81047, 2.15676, 9.02391, 10.04716, 3.35386, 6.62295, 5.02375, 11.53919, 8.19064, 8.54507, 2.04889, 5.78968, 3.52166, 10.23422, 8.73219, 5.75835, 11.43132, 9.26401, 6.58465, 2.14506, 7.36002, 2.30385, 9.1074, 9.36177, 3.08668, 9.59486, 11.07247, 6.92063, 3.38712, 11.53895, 4.9659, 4.33313, 9.47366, 2.28377, 5.9578, 10.6429, 3.00838, 7.71212, 9.98851, 3.47618, 4.07859, 12.18678, 5.72224, 6.34288, 5.22942, 9.37744, 8.77277, 3.73305, 7.76438, 7.31211, 4.17465, 8.22046, 8.7508, 4.97857, 9.82412, 6.07191, 5.61379, 10.23582, 7.44364, 4.39693, 8.44432, 6.13154, 7.11529, 10.17614, 7.38965, 5.89606, 9.79483, 4.74033, 6.58215, 8.94709, 9.2845, 4.58636, 6.85204, 9.52918, 4.79065, 7.71366, 4.99685, 4.08778, 6.29591, 7.24748, 7.62564, 9.60926, 8.5968, 5.72721, 8.41067, 4.22206, 4.62186, 5.82975, 8.45254, 5.88643, 6.77048, 10.41927, 4.56281, 6.31263, 4.8477, 6.88744, 7.79804, 10.00104, 7.39388, 10.22395, 4.8365, 7.8902, 10.18638, 6.25649, 4.28696, 5.60123, 6.05605, 6.54985, 7.72002, 3.16698, 8.95008, 9.188, 8.69866, 5.35892, 4.64887, 8.49165, 8.19815, 7.32684, 10.08169, 9.19756, 9.60133, 6.30452, 8.49161, 9.34249, 4.01541, 6.75659, 5.40047, 10.51951, 5.56744, 5.57367, 4.14605, 5.06569, 4.39668, 6.0716, 8.057, 8.16834, 3.06857, 9.24616, 7.99515, 9.44204, 6.61544, 6.24198, 3.50639, 9.7479, 9.17213, 7.51648, 6.32198, 4.22632, 9.57267, 5.61603, 3.96748, 7.28356, 8.26374, 5.84879, 10.4211, 9.45468, 8.91995, 5.09643, 5.86351, 4.38081, 4.88942, 7.92615, 5.77077, 3.58704, 10.52664, 7.96758, 7.53203, 8.92716, 6.79833, 3.16881, 6.9234, 3.38243, 7.33159, 10.25078, 7.25619, 8.74038, 7.41971, 3.34486, 8.75159, 9.08638, 5.15814, 9.36603, 10.19173, 7.73907, 5.13555, 7.18795, 3.95956, 4.99128, 8.23144, 4.62173, 4.30359, 10.72581, 7.27291, 6.3406, 10.02294, 5.85515, 8.59123, 8.91753, 3.77399, 8.84775, 10.22724, 6.71677, 4.05891, 7.6983, 3.39267, 6.19843, 10.63894, 5.34836, 4.83729, 10.41667, 5.1245, 7.45654, 9.1998, 3.33299, 6.14444, 9.83502, 3.7447, 7.51617, 9.58417, 4.19137, 4.81531, 11.08054, 5.80444, 6.27597]]}, "stress": {"__ndarray__": [[6], "float64", [-0.00021022651037799992, -0.0003711575816797738, 0.00022412635120134194, -9.425927081908895e-05, -0.00029185296672630117, -2.1988836650486718e-05]]}, "unique_id": "a9698b3458847bdc803e3f6209c6d7be", "user": "mse-gucc"}, "21": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [16.501962681, -0.108026882, -0.654998013, -0.108954952, 17.512767706, -0.098507514, -0.656852177, -0.097372991, 16.703423077]]}, "ctime": 20.602621753947375, "energy": -619.12768741, "forces": {"__ndarray__": [[84, 3], "float64", [-0.010381, 0.007317, -0.009643, -0.066574, -0.01145, -0.015066, -0.034128, 0.063091, 0.118067, -0.102332, 0.018915, -0.105269, -0.087594, 0.124487, 0.037814, -0.053077, 0.05895, -0.047467, -0.150844, -0.023192, 0.000649, -0.096653, -0.055788, 0.104962, -0.05583, 0.013073, -0.057747, 0.016885, 0.130414, 0.00595, -0.073939, -0.030629, 0.022129, 0.046081, 0.087285, 0.044118, -0.011595, -0.018925, 0.144355, 0.077059, 0.009038, -0.05236, -0.097591, -0.104432, -0.061476, -0.038142, -0.065782, 0.050223, 0.059229, 0.05407, -0.036858, -0.005896, -0.03857, -0.038212, -0.023875, -0.026285, 0.015404, 0.067643, -0.032387, -0.091566, -0.041559, -0.006423, -0.031101, 0.021956, -0.15445, -0.080991, 0.168538, -0.121906, 0.102456, 0.14371, 0.022285, 0.024562, 0.015026, -0.142051, 0.098951, -0.035487, -0.043428, 0.004651, -0.001982, 0.056642, -0.177683, 0.081994, 0.105437, 0.011979, 0.04719, -0.092022, 0.099199, -0.072584, -0.048712, -0.03008, -0.132836, 0.166854, -0.132078, -0.003482, -0.138162, -0.051286, 0.108658, -0.16386, 0.135024, -0.015259, -0.115261, 0.121249, 0.100899, 0.023774, -0.161267, 0.063705, 0.039767, 0.0138, 0.340951, -0.08631, 0.105362, -0.118048, -0.016339, 0.134807, 0.054613, 0.148198, -0.160495, 0.128878, 0.121759, 0.135744, 0.124081, 0.053648, -0.240467, 0.027325, 0.057655, -0.064379, 0.062712, -0.01066, 0.068733, 0.044307, -0.022675, 0.044125, 0.088702, -0.221554, 0.061349, 0.151169, -0.130385, -0.009004, -0.388305, -0.110732, 0.648851, 0.143059, -0.065769, -0.123293, -0.213935, -0.116799, -0.055176, 0.090324, -0.250882, 0.104214, -0.109058, -0.407494, -0.258386, -0.102624, -0.125548, -0.019435, 0.085462, 0.057193, 0.044909, 0.001518, -0.042129, 0.027543, -0.03542, 0.27629, 0.006488, -0.072806, 0.096607, -0.153766, -0.166832, 0.125713, 0.146106, 0.045695, 0.270211, -0.599952, 0.141017, 0.161213, -0.04402, -0.080218, 0.092889, -0.0716, 0.177952, 0.188973, -0.021333, -0.056898, 0.152045, 0.127099, 0.077701, 0.085608, -0.108743, -0.317671, -0.535877, 0.104174, 0.198726, -0.289925, 0.14294, 0.353447, 0.387384, 0.03288, 0.113615, 0.093073, 0.025611, 0.006205, 0.05801, -0.158469, -0.075114, 0.053013, -0.017953, 0.036783, 0.063, 0.039476, -0.068214, -0.161609, 0.001667, -0.184195, -0.049585, 0.099738, -0.07575, 0.23796, -0.183505, 0.055519, 0.135447, 0.041286, -0.093937, -0.065004, 0.014399, 0.076255, -0.021814, 0.114946, -0.114443, -0.050706, 0.00809, -0.043593, 0.101105, -0.04213, -0.033805, 0.01962, -0.100154, 0.002059, 0.095261, 0.123, -0.050363, 0.111403, -0.053374, 0.053353, 0.090276, 0.022646, 0.029791, -0.151174, 0.044076, -0.116926, 0.051731, 0.039985]]}, "free_energy": -619.13011453, "key_value_pairs": {"perms_num": 1}, "mtime": 24.382197828396322, "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", [5.34473, 12.0237, 10.66977, 3.10548, 9.9308, 8.75806, 4.04655, 10.29074, 10.7391, 4.49498, 12.2825, 7.2384, 5.76502, 13.11818, 8.77193, 5.64493, 12.2572, 5.32354, 3.03251, 7.69725, 8.79419, 3.95339, 7.29677, 10.78496, 7.72566, 12.84552, 5.25163, 8.41737, 13.55601, 7.24725, 5.03217, 5.38868, 10.52393, 10.52389, 12.81573, 7.16927, 6.8538, 5.57346, 11.78281, 10.54683, 11.82623, 5.17938, 7.05951, 3.7972, 8.90957, 8.36353, 4.44643, 10.59655, 11.92682, 10.11736, 5.43841, 11.07236, 8.52582, 4.13495, 8.15694, 3.74635, 7.03836, 11.60326, 6.69608, 5.31362, 12.33024, 6.58132, 8.8502, 10.29024, 4.39597, 6.94451, 10.93397, 4.84161, 8.94967, 12.66454, 7.66238, 7.00855, 5.80761, 11.30019, 9.98402, 4.15042, 9.58359, 8.71345, 4.85118, 10.01581, 10.0416, 5.33032, 11.57542, 7.36661, 6.0865, 12.07691, 8.61931, 4.76101, 10.18402, 7.48964, 7.59116, 12.08581, 8.49279, 6.15211, 11.55862, 5.99939, 7.199, 10.99566, 10.47885, 5.47762, 8.74156, 10.54697, 4.98289, 9.45944, 6.35584, 4.09316, 7.9664, 8.73633, 8.18201, 11.61264, 9.62203, 5.91753, 10.15411, 5.49346, 4.78034, 7.49285, 10.08558, 6.66418, 8.708, 11.19339, 4.91839, 8.01164, 6.35269, 7.54635, 9.8827, 11.1899, 7.69023, 11.98581, 5.94055, 8.36103, 12.45762, 7.27041, 4.66717, 7.32934, 7.52357, 6.81727, 9.43265, 4.7715, 9.56137, 11.14919, 9.61211, 5.65542, 6.17374, 10.06359, 8.91207, 9.36898, 11.16727, 9.8826, 11.92795, 7.23294, 8.64618, 10.94303, 5.41441, 7.49224, 7.5238, 11.26304, 5.88018, 7.28607, 5.54035, 5.52423, 6.15778, 7.56008, 8.23385, 9.82303, 4.76267, 9.88804, 9.98095, 10.41954, 6.8048, 7.97272, 4.78549, 10.28138, 11.14313, 8.44611, 7.01663, 6.16276, 10.87343, 6.07843, 5.68115, 8.70284, 8.81342, 7.91782, 11.19037, 10.06112, 11.12108, 5.87589, 6.25818, 6.09455, 6.29076, 8.18612, 7.53744, 4.74604, 11.04385, 9.9205, 8.38645, 9.03049, 8.61736, 4.67974, 7.33934, 4.84306, 8.71744, 10.85237, 9.20074, 9.65854, 8.09325, 5.33114, 9.99784, 9.75169, 7.16834, 10.37937, 10.96319, 9.82315, 5.88728, 7.54038, 5.62822, 6.25469, 8.54736, 6.3704, 5.5356, 11.25494, 9.23351, 7.23789, 10.81801, 7.83863, 9.66711, 9.36742, 6.04683, 9.70528, 10.4741, 8.56374, 5.05638, 8.17295, 4.80047, 7.34737, 10.86506, 7.24866, 5.91444, 11.33764, 6.95456, 8.55523, 9.70043, 5.26056, 7.28262, 10.34588, 5.70582, 8.6115, 9.74056, 6.30598, 6.18927, 11.58646, 7.75892, 7.1997]]}, "stress": {"__ndarray__": [[6], "float64", [-0.00018782573412520488, 0.00020747400485348537, -0.00034119209636640827, -0.00013946027990873554, -0.00016361492022590372, -4.2454745074257917e-05]]}, "unique_id": "4ccace2eac850104d33cc5a7d48b1474", "user": "mse-gucc"}, "22": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [19.053305116, 0.006255095, -0.132632671, 0.005777742, 19.513505402, -0.064871977, -0.1326617, -0.064494044, 19.183786603]]}, "ctime": 20.602621786127234, "energy": -618.74735284, "forces": {"__ndarray__": [[84, 3], "float64", [-0.038964, 0.05676, -0.005653, -0.056687, -0.00077, -0.00811, -0.011461, 0.032587, 0.02569, -0.002756, 0.008315, 0.001021, 0.041889, 0.060629, -0.000128, 0.025931, 0.056997, -0.015229, -0.007364, -0.025577, 0.011066, -0.019647, -0.068929, 0.054566, 0.016493, 0.134215, -0.076639, 0.011075, 0.052517, 0.023098, -0.033998, -0.008581, -0.001376, 0.045363, 0.06934, 0.014163, -0.045363, -0.06934, -0.014163, 0.033998, 0.008581, 0.001376, -0.011075, -0.052517, -0.023098, -0.016493, -0.134215, 0.076639, 0.019647, 0.068929, -0.054566, 0.007364, 0.025577, -0.011066, -0.025931, -0.056997, 0.015229, 0.011461, -0.032587, -0.02569, -0.041889, -0.060629, 0.000128, 0.002756, -0.008315, -0.001021, 0.038964, -0.05676, 0.005653, 0.056687, 0.00077, 0.00811, -0.017857, -0.170948, -0.0392, -0.025207, -0.180596, 0.088808, 0.024603, 0.103806, 0.07151, -0.035459, 0.074268, 0.096015, -0.282931, 0.019277, 0.061819, 0.029748, 0.013858, -0.010382, 0.098034, 0.014479, -0.039907, -0.038571, -0.146275, -0.078814, 0.03632, -0.015308, -0.00107, 0.075514, 0.018253, -0.055621, 0.004934, -0.180232, -0.068839, 0.015524, 0.151692, -0.073179, 0.072103, -0.03129, 0.091178, 0.195261, 0.006375, -0.055359, -0.120392, -0.05835, -0.10654, 0.036362, -0.037112, 0.074321, -0.044068, 0.133589, -0.113654, 0.194523, -0.017125, 0.056124, -0.229921, -0.051525, -0.001495, 0.127218, 0.078413, 0.003992, -0.028984, -0.062116, 0.189165, -0.131386, -0.192618, 0.062211, -0.09611, 0.157916, 0.05218, -0.202876, 0.085783, 0.08545, -0.066112, -0.147003, 0.089991, -0.114705, 0.152232, 0.068052, 0.040519, -0.139278, -0.029191, 0.017982, 0.125134, 0.095065, 0.015141, 0.009303, 0.200106, -0.058992, 0.11707, -0.232923, -0.017982, -0.125134, -0.095065, -0.015141, -0.009303, -0.200106, 0.066112, 0.147003, -0.089991, 0.058992, -0.11707, 0.232923, -0.040519, 0.139278, 0.029191, 0.114705, -0.152232, -0.068052, 0.131386, 0.192618, -0.062211, 0.202876, -0.085783, -0.08545, 0.09611, -0.157916, -0.05218, -0.194523, 0.017125, -0.056124, 0.028984, 0.062116, -0.189165, -0.036362, 0.037112, -0.074321, -0.127218, -0.078413, -0.003992, 0.044068, -0.133589, 0.113654, 0.229921, 0.051525, 0.001495, -0.195261, -0.006375, 0.055359, 0.120392, 0.05835, 0.10654, -0.072103, 0.03129, -0.091178, -0.03632, 0.015308, 0.00107, -0.015524, -0.151692, 0.073179, -0.004934, 0.180232, 0.068839, 0.038571, 0.146275, 0.078814, -0.075514, -0.018253, 0.055621, -0.098034, -0.014479, 0.039907, -0.024603, -0.103806, -0.07151, -0.029748, -0.013858, 0.010382, 0.282931, -0.019277, -0.061819, 0.035459, -0.074268, -0.096015, 0.017857, 0.170948, 0.0392, 0.025207, 0.180596, -0.088808]]}, "free_energy": -618.75595911, "key_value_pairs": {"perms_num": 2}, "mtime": 24.382197828848714, "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", [6.80905, 12.98026, 12.18352, 4.63132, 10.87846, 10.15976, 5.52508, 11.24772, 12.17487, 6.00331, 13.27354, 8.69835, 7.18207, 14.12018, 10.29778, 7.1973, 13.27879, 6.81947, 4.5924, 8.64967, 10.18372, 5.51874, 8.20551, 12.17329, 9.24434, 13.94969, 6.81841, 9.89259, 14.67289, 8.83492, 6.78659, 6.45444, 12.17734, 12.01499, 14.00276, 8.80579, 6.91143, 5.45251, 10.18049, 12.13984, 13.00083, 6.80894, 9.03383, 4.78237, 10.15136, 9.68208, 5.50557, 12.16787, 13.40768, 11.24975, 6.81299, 14.33403, 10.80559, 8.80257, 11.72912, 6.17647, 12.16681, 13.40134, 8.20755, 6.81141, 11.74435, 5.33509, 8.6885, 12.92311, 6.18173, 10.28793, 12.11737, 6.47501, 6.80276, 14.2951, 8.5768, 8.82652, 7.28993, 12.28759, 11.47856, 5.68533, 10.5553, 10.13753, 6.34573, 10.9871, 11.48809, 6.85917, 12.58951, 8.85138, 7.57219, 13.09825, 10.13799, 6.31179, 11.18463, 8.94179, 9.07123, 13.1698, 10.04899, 7.71617, 12.60444, 7.5165, 8.67947, 11.99869, 11.97546, 6.98455, 9.71605, 12.00332, 6.58635, 10.46736, 7.80454, 5.65631, 8.9282, 10.14709, 9.66943, 12.67445, 11.18061, 7.54061, 11.19322, 7.01106, 6.34136, 8.46137, 11.48837, 8.17135, 9.69355, 12.6376, 6.51545, 9.03495, 7.76184, 9.03744, 10.86694, 12.65962, 9.24389, 13.09137, 7.50231, 9.86485, 13.57047, 8.85213, 6.29346, 8.31701, 8.94782, 8.50486, 10.50088, 6.32084, 11.04859, 12.29152, 11.21952, 7.29014, 7.14977, 11.48618, 10.41521, 10.40883, 12.62957, 11.4129, 13.08438, 8.8392, 10.24306, 12.08877, 6.98554, 9.03517, 8.49755, 12.63762, 7.51643, 8.32941, 7.00122, 7.12952, 7.17106, 8.957, 9.89125, 10.95771, 6.34866, 11.40999, 11.12585, 11.98507, 8.51121, 9.04644, 6.35671, 11.7969, 12.28421, 10.02928, 8.68336, 7.3665, 12.00074, 7.51352, 6.37088, 10.14708, 10.42156, 8.95439, 12.66544, 11.63628, 12.3055, 7.5001, 7.87784, 7.16375, 7.76676, 9.88898, 8.58833, 6.32666, 12.63296, 11.13826, 10.03846, 10.75507, 9.76171, 6.34869, 9.06157, 5.8848, 10.13415, 12.41097, 10.42032, 11.22444, 9.68253, 6.36389, 11.48397, 11.38581, 8.26205, 11.97523, 12.58506, 10.99389, 7.49791, 9.25699, 6.78082, 7.80568, 10.24695, 7.45658, 7.01082, 13.27011, 10.52707, 8.83919, 12.34007, 8.98791, 11.18174, 11.21025, 6.85083, 11.46978, 11.94187, 9.73921, 6.98296, 9.85519, 6.28547, 8.93729, 12.58069, 8.46817, 7.49819, 12.61463, 8.27064, 10.04449, 11.35423, 6.35702, 8.8483, 12.06725, 6.86575, 10.1349, 11.63649, 7.16767, 7.50772, 13.24109, 8.89996, 8.84875]]}, "stress": {"__ndarray__": [[6], "float64", [-0.00023950542968751828, -9.8428598915179e-05, -0.0002872592160096511, -0.00014249989485304069, -1.3481659711907838e-06, -0.00014661929087612363]]}, "unique_id": "6afe5b0bc887ce0159d118c351711817", "user": "mse-gucc"}, "23": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [15.692780381, -1.02562444, -0.324845287, -1.032939394, 17.9529196, -0.458799379, -0.327648524, -0.446423217, 14.509915398]]}, "ctime": 20.602621818437356, "energy": -620.15390736, "forces": {"__ndarray__": [[84, 3], "float64", [-0.025212, -0.052655, -0.081414, -0.162301, 0.103542, 0.160562, 0.101629, 0.098038, 0.007132, 0.036198, -0.045049, 0.055136, -0.063321, -0.052279, -0.108018, 0.025942, 0.126685, 0.011229, -0.07282, 0.046457, -0.03927, -0.134936, -0.098331, 0.007923, -0.081227, 0.149058, -0.046758, -0.033473, -0.099907, -0.018229, -0.169475, -0.035108, 0.117253, 0.034389, -0.068719, -0.193859, -0.034389, 0.068719, 0.193859, 0.169475, 0.035108, -0.117253, 0.033473, 0.099907, 0.018229, 0.081227, -0.149058, 0.046758, 0.134936, 0.098331, -0.007923, 0.07282, -0.046457, 0.03927, -0.025942, -0.126685, -0.011229, -0.101629, -0.098038, -0.007132, 0.063321, 0.052279, 0.108018, -0.036198, 0.045049, -0.055136, 0.025212, 0.052655, 0.081414, 0.162301, -0.103542, -0.160562, 0.087519, -0.050014, -0.123988, -0.033547, 0.205258, -0.050793, 0.008487, -0.117887, -0.139758, -0.034066, -0.059055, 0.053791, 0.122743, -0.057208, 0.064661, 0.145898, 0.122153, -0.008903, 0.145304, -0.053402, 0.09177, -0.122538, -0.130674, 0.154006, 0.185877, -0.045665, -0.223643, 0.092576, 0.143513, -0.070292, 0.019237, -0.131965, 0.037454, 0.211408, 0.03789, 0.056362, -0.212448, 0.132837, -0.145039, 0.059434, 0.090188, 0.211719, -0.017937, 0.015691, -0.030014, -0.059646, -0.06566, 0.012929, 0.17954, 0.047319, 0.118308, -0.031152, -0.081581, 0.012748, 0.446633, -0.151342, -0.034324, 0.041688, 0.174019, 0.031543, 0.021353, 0.177033, 0.215916, 0.100697, -0.033318, -0.240824, -0.013727, -0.260511, -0.068072, 0.005242, -0.187485, -0.236273, -0.000241, -0.077825, 0.15024, -0.233596, -0.037936, -0.036544, -0.126359, 0.066572, 0.003102, -0.073083, -0.006133, 0.185855, 0.089128, -0.091632, 0.039357, 0.108325, 0.076565, 0.271103, 0.073083, 0.006133, -0.185855, -0.089128, 0.091632, -0.039357, 0.000241, 0.077825, -0.15024, -0.108325, -0.076565, -0.271103, 0.126359, -0.066572, -0.003102, 0.233596, 0.037936, 0.036544, -0.100697, 0.033318, 0.240824, -0.005242, 0.187485, 0.236273, 0.013727, 0.260511, 0.068072, 0.031152, 0.081581, -0.012748, -0.021353, -0.177033, -0.215916, 0.059646, 0.06566, -0.012929, -0.041688, -0.174019, -0.031543, -0.17954, -0.047319, -0.118308, -0.446633, 0.151342, 0.034324, -0.059434, -0.090188, -0.211719, 0.017937, -0.015691, 0.030014, 0.212448, -0.132837, 0.145039, -0.185877, 0.045665, 0.223643, -0.211408, -0.03789, -0.056362, -0.019237, 0.131965, -0.037454, 0.122538, 0.130674, -0.154006, -0.092576, -0.143513, 0.070292, -0.145304, 0.053402, -0.09177, -0.008487, 0.117887, 0.139758, -0.145898, -0.122153, 0.008903, -0.122743, 0.057208, -0.064661, 0.034066, 0.059055, -0.053791, -0.087519, 0.050014, 0.123988, 0.033547, -0.205258, 0.050793]]}, "free_energy": -620.34975998, "key_value_pairs": {"perms_num": 2}, "mtime": 24.38219782931869, "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", [4.41741, 11.492, 9.47147, 2.28243, 9.21343, 7.46912, 3.17431, 9.66355, 9.52284, 3.60477, 11.62402, 5.97565, 4.79276, 12.56854, 7.55188, 4.77718, 11.59157, 4.08045, 2.4429, 6.99011, 7.94816, 6.86143, 12.34819, 4.06469, 7.46178, 13.16605, 6.08612, 2.64274, 6.15531, 5.89612, 9.59663, 12.45018, 5.68263, 3.99148, 4.3676, 5.99359, 10.34071, 12.11327, 7.73268, 4.73556, 4.03069, 8.04364, 11.68945, 10.32556, 7.83015, 6.87041, 3.31482, 7.64015, 7.47077, 4.13269, 9.66158, 11.8893, 9.49076, 5.77811, 9.55501, 4.88931, 9.64582, 11.15789, 6.81732, 4.20343, 9.53943, 3.91233, 6.17439, 10.72743, 4.85685, 7.75062, 9.91479, 4.98887, 4.2548, 12.04976, 7.26744, 6.25715, 4.92203, 10.77814, 8.79849, 3.34825, 8.9297, 7.47721, 4.00661, 9.45378, 8.83001, 4.47607, 10.96044, 6.14477, 5.18757, 11.54156, 7.42354, 3.96619, 9.53696, 6.27155, 6.69291, 11.65395, 7.33163, 5.32836, 10.96601, 4.79766, 6.33104, 10.56335, 9.3267, 4.75573, 8.23356, 9.31432, 4.28241, 8.78516, 5.14769, 3.40559, 7.32925, 7.53216, 7.32102, 11.21158, 8.49253, 5.19478, 9.53011, 4.32164, 4.46917, 7.09027, 8.56284, 5.92557, 8.27414, 10.06902, 4.20079, 7.36882, 5.08318, 6.74516, 9.48285, 10.07234, 6.82483, 11.51704, 4.79085, 7.46446, 12.06279, 6.13218, 3.63535, 6.52098, 6.19667, 6.15989, 8.83545, 3.63359, 8.71559, 10.96231, 8.59864, 5.32525, 5.99408, 8.59379, 8.1214, 9.076, 10.06264, 9.0178, 11.61292, 6.1219, 7.83792, 10.4678, 4.37017, 6.80134, 7.15479, 10.08073, 5.24369, 6.68759, 4.41403, 4.6227, 5.23354, 6.23575, 7.53086, 9.32608, 3.64554, 9.0885, 9.79329, 9.31224, 6.21079, 7.40488, 3.66363, 9.70949, 11.24733, 7.49052, 6.49428, 6.01307, 9.3561, 5.3144, 4.86795, 7.60438, 8.17231, 7.64542, 10.09268, 9.00694, 10.4868, 5.13248, 5.6166, 5.51856, 5.12763, 7.58703, 6.99802, 3.65393, 10.69684, 9.95989, 7.5296, 8.40662, 8.20674, 3.65725, 6.86774, 4.41809, 7.59409, 10.1314, 9.11205, 8.64309, 7.50736, 4.96383, 8.93542, 9.13741, 6.95076, 9.40463, 9.86302, 9.3906, 5.16343, 7.01117, 5.26929, 5.23374, 8.00115, 5.91753, 4.39957, 10.9266, 9.15162, 6.19411, 10.04978, 7.69571, 8.57858, 9.00383, 5.51486, 8.92861, 9.57646, 8.24731, 4.41195, 7.63929, 4.82692, 6.39464, 10.32558, 7.02709, 4.89626, 10.366, 6.94391, 7.45472, 9.14462, 4.93931, 6.30273, 9.85612, 5.52043, 7.5815, 9.41016, 5.70273, 4.92778, 10.98394, 7.55117, 6.24906]]}, "stress": {"__ndarray__": [[6], "float64", [0.0017421175441982835, 0.000556137187643576, 0.0009428735761015544, 0.0002976513287042467, 0.000327310980070444, 0.0006072176983298046]]}, "unique_id": "414463680d3f781ec019089136845def", "user": "mse-gucc"}, "24": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [19.550779806, 0.049830487, -0.190823936, 0.049735663, 19.66848893, 0.089275041, -0.190584916, 0.089312184, 19.418831103]]}, "ctime": 20.60262184678421, "energy": -619.36668053, "forces": {"__ndarray__": [[84, 3], "float64", [-0.050745, 0.048007, 0.016669, -0.034241, -0.013059, 0.045214, -0.003588, 0.033093, -0.02509, 0.007229, 0.05377, 0.05043, -0.016635, 0.056477, -0.008355, -0.058242, 0.023994, 0.002661, -0.038504, 0.057686, -0.031265, -0.098802, 0.002585, -0.007757, -0.013756, -0.02033, -0.029129, 0.008817, 0.022169, -0.025484, -0.052498, -0.012557, -0.002889, -0.021231, 0.02176, 7.3e-05, -0.009875, 0.026576, -0.033438, -0.032832, -0.033742, -0.026006, -0.045927, -0.08205, -0.023622, 0.040586, 0.021192, -0.01212, 0.012915, -0.001714, -0.065652, -0.003349, 0.005455, -0.029467, 0.027649, -0.08861, -0.003118, 0.092229, -0.017803, -0.032901, -0.010667, 0.000334, 0.005581, 0.061932, 0.030894, -0.053828, 0.012826, 0.005453, -0.046675, 0.055018, -0.047614, -0.04066, 0.050399, -0.056364, 0.015222, -0.013608, -0.00122, -0.036595, -0.014138, -0.057037, 0.089517, 0.053097, 0.089049, 0.027148, -0.052822, 0.000721, -0.023645, -0.074796, 0.004876, 0.029175, -0.00041, -0.002692, -0.018507, 0.073397, -0.039039, -0.130231, 0.05343, -0.048464, -0.009389, 0.046074, -0.042631, -0.071368, 0.05241, -0.052998, -0.121439, -0.003382, -0.024397, 0.014005, -0.163727, 0.081513, 0.062135, -0.09869, 0.082339, 0.035926, -0.034859, 0.064292, 0.050658, 0.128145, 0.07695, 0.001332, 0.020803, 0.046558, -0.03106, -0.123053, -0.044293, -0.008043, -0.010051, -0.039757, -0.038951, 0.175852, -0.00743, -0.002521, 0.08307, -0.114557, 0.024926, 0.038288, -0.035984, -0.07065, 0.179362, -0.131615, 0.071719, 0.072045, -0.095133, 0.037762, -0.119541, 0.02099, 0.03013, -0.004235, -0.105309, 0.058803, -0.085028, 0.092923, 0.001556, -0.176124, -0.006288, -0.078132, -0.101902, 0.083777, -0.052339, 0.026752, 0.027534, -0.043947, 0.029295, 0.024715, -0.052148, 0.079563, 0.044093, 0.006411, 0.061298, 0.031102, -0.007468, -0.081554, 0.126139, -0.055135, 0.129437, 0.01244, 0.111709, -0.041904, -0.021035, 0.003692, 0.182016, -0.116891, 0.011321, -0.005146, 0.08659, 0.083601, -0.131637, -0.02579, 0.147157, -0.111562, -0.007385, 0.001251, 0.083077, -0.072677, -0.045767, 0.040904, 0.113279, -0.021035, 0.166336, -0.015524, 0.043664, 0.008274, -0.220564, 0.152199, -0.185122, -0.046278, 0.033031, -0.092869, 0.005643, 0.179054, 0.024348, 0.005523, -0.011576, -0.022068, -0.048483, -0.042367, -0.037302, 0.03494, -0.05105, -0.035885, 0.064665, 0.169674, 0.098065, 0.144471, -0.142792, 0.131828, 0.098964, -0.007817, -0.034015, -0.031506, 0.007568, -0.07342, -0.039481, 0.014634, 0.0342, 0.028047, -0.00907, 0.018951, 0.121339, -0.012517, 0.011546, 0.059245, 0.111194, -0.036, -0.096164, -0.098815, 0.034854, -0.093322, 0.10398, -0.050574, -0.024376, -0.058948]]}, "free_energy": -619.3667132, "key_value_pairs": {"perms_num": 1}, "mtime": 24.382197829833892, "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", [6.93471, 13.2387, 12.3374, 4.94357, 11.07075, 10.29216, 5.68465, 11.53382, 12.33737, 7.14896, 14.08369, 10.29152, 9.28998, 14.77884, 10.72468, 8.88498, 13.11342, 13.35352, 6.39532, 9.71299, 13.35749, 4.93704, 8.818, 10.71958, 5.5312, 9.12165, 7.09748, 9.18565, 14.11903, 7.10381, 10.44534, 14.80035, 8.87085, 5.26305, 7.71711, 8.86425, 10.741, 12.97592, 5.91662, 7.09031, 7.99087, 5.90968, 12.55783, 13.2653, 7.25931, 7.3735, 6.17238, 7.24834, 13.81725, 11.47921, 7.26818, 9.45742, 5.5117, 7.26122, 10.6991, 6.86969, 5.8855, 12.89842, 9.88598, 5.89212, 13.78455, 8.23266, 7.09297, 12.04265, 5.57141, 9.01901, 12.53809, 6.52662, 7.09596, 14.54081, 8.97815, 9.02629, 7.50679, 12.50392, 11.76111, 5.97854, 10.69679, 10.37878, 6.56085, 11.21265, 11.75994, 7.59031, 12.3554, 9.2032, 7.82127, 13.21288, 10.3796, 6.726, 11.17204, 9.20197, 9.31759, 13.72821, 10.39506, 8.27613, 12.42488, 8.02809, 8.90428, 12.4085, 12.49748, 7.07216, 9.90865, 12.49973, 6.86808, 10.50008, 8.02502, 5.94419, 9.11551, 10.39071, 9.92493, 12.90984, 11.49166, 7.88559, 11.23359, 7.29503, 6.90428, 8.78598, 11.49096, 8.48276, 9.95112, 13.00245, 6.45453, 9.10598, 7.69825, 9.28981, 11.04992, 13.0011, 9.47932, 13.2438, 7.70484, 10.17028, 13.74316, 9.02359, 6.18803, 8.29625, 9.01593, 8.81342, 10.55523, 6.59178, 11.17748, 12.42037, 11.42984, 7.75306, 7.74102, 11.4274, 10.69465, 10.59424, 13.0122, 11.45241, 12.93574, 9.04797, 10.58693, 12.4324, 6.86213, 9.34488, 8.74983, 13.01531, 7.5633, 8.29764, 6.8558, 7.34836, 7.32325, 9.04187, 10.18408, 11.02813, 6.58113, 11.60637, 11.26269, 12.21227, 8.77883, 9.10551, 6.57044, 11.94663, 12.41683, 10.18255, 8.98272, 7.67786, 12.21092, 7.98759, 7.01226, 10.17771, 10.71522, 9.16224, 13.03791, 11.92325, 12.46889, 7.68721, 7.93857, 7.01623, 7.67896, 10.08615, 8.71857, 6.6359, 12.80369, 11.23134, 10.188, 10.9495, 9.90155, 6.64389, 9.37574, 6.55131, 10.18349, 12.59565, 10.54313, 11.45574, 9.97343, 6.95588, 11.45432, 11.69054, 8.44811, 12.2905, 12.85587, 11.14649, 7.69208, 9.47981, 6.52925, 7.68663, 10.56352, 7.34596, 6.8715, 13.12035, 10.57548, 9.04941, 12.65804, 9.15485, 11.51026, 11.30991, 7.30811, 11.50626, 12.40368, 9.86736, 6.87712, 10.09887, 6.45397, 9.04696, 12.89424, 8.56641, 7.64158, 12.888, 8.41537, 10.2514, 11.60732, 6.59247, 9.0244, 12.08338, 7.31934, 10.24858, 11.94745, 7.27589, 7.63656, 13.43896, 9.09319, 9.03291]]}, "stress": {"__ndarray__": [[6], "float64", [-0.00015927707138341487, -3.569519069092635e-05, -0.00018433048901471025, 5.2615921931195865e-05, -2.097147066296775e-06, 6.6990117448105e-05]]}, "unique_id": "96d61d214a5b3876c3eb82b08179e3d9", "user": "mse-gucc"}, "25": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [18.094884964, -0.135384929, -0.424057494, -0.135791746, 18.61030076, 0.143746015, -0.424846896, 0.144035546, 18.326191725]]}, "ctime": 20.60262187854277, "energy": -620.7288419, "forces": {"__ndarray__": [[84, 3], "float64", [-0.208531, 0.112682, 0.141696, -0.051096, 0.081388, -0.18066, -0.128196, -0.030312, 0.065747, -0.077528, -0.058278, -0.063092, 0.064496, 0.132053, -0.108953, 0.066406, 0.100977, 0.081992, -0.220725, -0.115072, -0.066797, -0.164726, -0.015219, -0.020966, 0.10133, 0.002985, 0.088276, -0.103339, -0.163936, -0.005829, 0.122096, 0.022151, 0.084972, -0.104849, 0.002329, -0.018915, 0.104849, -0.002329, 0.018915, -0.122096, -0.022151, -0.084972, 0.103339, 0.163936, 0.005829, -0.10133, -0.002985, -0.088276, -0.066406, -0.100977, -0.081992, 0.164726, 0.015219, 0.020966, 0.220725, 0.115072, 0.066797, -0.064496, -0.132053, 0.108953, 0.128196, 0.030312, -0.065747, 0.077528, 0.058278, 0.063092, 0.208531, -0.112682, -0.141696, 0.051096, -0.081388, 0.18066, 0.009768, 0.094714, -0.005201, -0.311157, -0.155203, -0.127563, -0.05324, 0.072495, 0.322545, -0.093203, -0.313519, 0.014491, -0.068651, 0.069942, -0.117293, 0.152049, 0.241012, -0.441228, 0.065688, 0.158187, 0.020386, 0.012234, 0.136919, 0.086698, -0.066806, 0.128792, 0.017306, 0.443308, 0.201606, 0.334736, 0.097404, -0.192736, 0.182172, -0.245415, -0.051073, 0.05972, 0.010387, 0.013212, -0.073714, -0.101625, 0.212618, -0.00975, 0.019599, -0.396289, -0.168279, -0.197387, -0.176254, -0.005425, -0.293182, 0.308044, 0.036916, 0.401678, 0.114969, 0.215844, -0.265917, -0.117601, -0.078534, 0.088864, 0.237549, 0.113058, 0.069476, 0.133337, -0.06501, 0.291388, -0.2884, -0.085297, 0.047954, -0.081912, 0.161654, 0.080139, 0.021001, 0.168106, -0.212488, -0.392167, 0.218171, -0.088742, 0.04997, -0.185299, 0.097251, -0.159044, -0.168324, 0.636881, 0.005287, 0.206227, 0.031973, -0.120986, -0.096481, -0.171498, -0.093132, -0.060496, -0.636881, -0.005287, -0.206227, -0.031973, 0.120986, 0.096481, 0.212488, 0.392167, -0.218171, 0.171498, 0.093132, 0.060496, -0.097251, 0.159044, 0.168324, 0.088742, -0.04997, 0.185299, -0.291388, 0.2884, 0.085297, -0.080139, -0.021001, -0.168106, -0.047954, 0.081912, -0.161654, -0.401678, -0.114969, -0.215844, -0.069476, -0.133337, 0.06501, 0.197387, 0.176254, 0.005425, -0.088864, -0.237549, -0.113058, 0.293182, -0.308044, -0.036916, 0.265917, 0.117601, 0.078534, 0.101625, -0.212618, 0.00975, -0.019599, 0.396289, 0.168279, -0.010387, -0.013212, 0.073714, 0.066806, -0.128792, -0.017306, 0.245415, 0.051073, -0.05972, -0.097404, 0.192736, -0.182172, -0.012234, -0.136919, -0.086698, -0.443308, -0.201606, -0.334736, -0.065688, -0.158187, -0.020386, 0.05324, -0.072495, -0.322545, -0.152049, -0.241012, 0.441228, 0.068651, -0.069942, 0.117293, 0.093203, 0.313519, -0.014491, -0.009768, -0.094714, 0.005201, 0.311157, 0.155203, 0.127563]]}, "free_energy": -620.72888873, "key_value_pairs": {"perms_num": 2}, "mtime": 24.382197830346687, "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", [6.03916, 12.60407, 11.71091, 3.93067, 10.38116, 9.81184, 4.80344, 10.93657, 11.71939, 6.22596, 13.59161, 9.76358, 8.32866, 14.15068, 10.09177, 7.99946, 12.50538, 12.58799, 5.52609, 9.08916, 12.66311, 4.05597, 8.20404, 10.13132, 9.12941, 14.16573, 7.98688, 4.27653, 7.42065, 8.06756, 11.23854, 13.45801, 7.91454, 5.63632, 5.61178, 8.01038, 11.89792, 13.00717, 10.0355, 6.2957, 5.16094, 10.13134, 13.25772, 11.1983, 9.97832, 8.40483, 4.45322, 10.059, 9.53479, 6.11357, 5.45789, 13.47828, 10.41492, 7.91456, 12.00816, 9.52979, 5.38277, 9.20559, 4.46827, 7.95411, 12.73081, 7.68238, 6.32649, 11.30829, 5.02735, 8.2823, 11.49509, 6.01488, 6.33497, 13.60358, 8.23779, 8.23404, 6.57505, 11.89022, 11.08568, 4.99945, 10.11688, 9.75982, 5.64141, 10.60686, 11.09831, 6.41446, 11.85601, 8.55261, 6.81779, 12.66002, 9.72909, 5.62219, 10.73823, 8.57703, 8.34204, 13.11808, 9.70321, 7.18475, 11.8494, 7.30178, 7.98779, 11.78206, 11.74985, 6.17183, 9.29964, 11.78875, 5.8399, 9.99249, 7.32456, 5.04083, 8.51694, 9.74899, 8.98818, 12.2645, 10.72727, 6.79624, 10.70629, 6.53572, 6.04337, 8.18856, 10.78386, 7.5735, 9.35744, 12.28475, 5.85259, 8.60915, 7.32077, 8.36466, 10.45088, 12.26107, 8.49229, 12.29138, 7.27325, 9.13006, 13.12212, 8.34584, 5.26881, 7.74195, 8.40893, 7.73645, 10.03056, 5.7479, 10.26231, 11.8406, 10.68701, 6.84823, 7.10583, 10.74398, 9.7712, 10.0225, 12.26559, 10.66325, 12.61612, 8.32916, 9.45578, 11.54081, 6.54131, 8.42143, 8.16554, 12.28746, 6.86067, 7.9322, 6.58729, 6.2328, 6.45327, 8.39481, 9.11281, 10.45341, 5.75842, 10.67357, 10.68675, 11.45859, 7.76305, 8.59645, 5.78029, 11.30145, 12.16569, 9.65107, 8.07847, 7.07815, 11.50457, 6.871, 6.00283, 9.71672, 9.79779, 8.58839, 12.29798, 10.68602, 11.51312, 7.3019, 7.27193, 6.77836, 7.35887, 9.16959, 8.16807, 5.78481, 12.26543, 10.877, 9.63695, 9.96075, 9.26151, 5.76113, 8.40418, 5.49683, 9.70004, 11.68165, 10.0098, 10.72511, 9.04196, 6.32758, 10.77263, 10.738, 7.91267, 11.51016, 11.49087, 10.43039, 7.26202, 8.54606, 6.35446, 7.31861, 9.54646, 6.83689, 6.29603, 12.49342, 10.10202, 8.29689, 11.69435, 8.62646, 10.72132, 10.3495, 6.76956, 10.7441, 11.36242, 9.31932, 6.25713, 9.1922, 5.50087, 8.34267, 11.89284, 8.01209, 6.94757, 11.91205, 7.88072, 9.46885, 10.71646, 5.95893, 8.3168, 11.11978, 6.76295, 9.49327, 10.95919, 6.72873, 6.9602, 12.53479, 8.50207, 8.28606]]}, "stress": {"__ndarray__": [[6], "float64", [-0.0013891789276569626, -0.0007741031693376711, -0.001290207317447832, -5.323383133465831e-05, -0.00032588791598974257, -0.00014115797039097576]]}, "unique_id": "1f5863beb5d9b56647082725e772c609", "user": "mse-gucc"}, "ids": [1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25], "nextid": 26}