{"1": { "calculator": "unknown", "calculator_parameters": {"energy": -659.92972505}, "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 20.369651965314716, "energy": -659.92972505, "forces": {"__ndarray__": [[96, 3], "float64", [0.006302, 0.026307, -0.02756, 0.001396, 0.011597, 0.041655, -0.032941, -0.031604, -0.006679, -0.009382, -0.053171, -0.020103, 0.035541, -0.010741, 0.04188, 0.042664, 0.013703, -0.040907, 0.014665, 0.015612, 0.021082, -0.022746, -0.030077, 0.006592, 0.006219, 0.011253, -0.034065, 0.040479, -0.016318, 0.064582, 0.052629, 0.040466, -0.056325, -0.023663, -0.076092, -0.034428, 0.013556, -0.0108, 0.048556, -0.02867, -0.039231, -0.034374, 0.035177, 0.038988, -0.028066, 0.029327, 0.01426, -0.075639, -0.021621, -0.077185, 0.01072, 0.063099, 0.025622, 0.052556, 0.019782, -0.046763, 0.002498, 0.053149, 0.000428, 0.00958, 0.031814, -0.019463, -0.031553, 0.011597, -0.02434, -0.009478, 0.015101, -0.015662, 0.014476, 0.022851, -0.002256, -0.004847, 0.03193, -0.024275, -0.073097, 0.07949, 0.009335, 0.018135, -0.040125, -0.020765, -0.0218, 0.012215, -0.072885, 0.015579, -0.001235, 0.003359, 0.045993, 0.014309, 0.040262, -0.019022, 0.030875, 0.012473, -0.004095, 0.010852, -0.022941, 0.020485, 0.002126, -0.014982, -0.023877, 0.00189, -0.036262, -0.023208, 0.036055, 0.013171, -0.01737, 0.023281, -0.017132, 0.030698, -0.051394, -0.023794, -0.009948, -0.004238, 0.039867, -0.016773, -0.062598, 0.071603, -0.02546, 0.013564, 0.016693, 0.071528, -0.109754, 0.019592, 0.018228, -0.04402, 0.062574, 0.016573, 0.15822, 0.08383, 0.004152, -0.109976, 0.003619, -0.032196, -0.018025, 0.086737, -0.001501, 0.018424, -0.114918, 0.118719, -0.0158, -0.112452, -0.138189, -0.054014, 0.032864, 0.06153, 0.005411, 0.01841, -0.024771, -0.027534, -0.018666, -0.014037, 0.012973, -0.007557, 0.037773, -0.028113, 0.001225, -0.003681, -0.008888, 0.07973, -0.025654, -0.053334, 0.063446, 0.029124, -0.037682, 0.059693, 0.02894, -0.033885, -0.000762, -0.023026, -0.094353, 0.020567, 0.067823, 0.000447, -0.079311, -0.023436, 0.06079, 0.033183, -0.060363, 0.034121, -0.00793, 0.062197, -0.024517, 0.019529, 0.045177, -0.026152, 0.040395, -0.029949, -0.016618, 0.041344, -0.010683, -0.025656, 0.02214, 0.021802, 0.007853, 0.015367, -0.023888, -0.053404, -0.010399, -0.014584, -0.006006, 0.02463, 0.06394, -0.065894, -0.023012, -0.018445, -0.02848, 0.006215, 0.077176, 0.076673, -0.163109, -0.004555, 0.052335, 0.005204, -0.055527, -0.00279, 0.057491, -0.028529, 0.039666, 0.003432, 0.007378, 0.014123, -0.011976, -0.030507, 0.002507, -0.042216, 0.01891, -0.053954, 0.001617, -0.026839, -0.122794, 0.179176, 0.010973, 0.053695, 0.008261, 0.090969, 0.043077, 0.045211, -0.089321, -0.03388, -0.099, -0.007222, -0.068241, 0.024662, 0.07012, 0.007834, -0.029259, -0.024722, 0.022115, -0.008399, 0.01456, 0.039151, 0.011461, -0.029937, -0.011215, 0.029466, 0.036669, -0.032094, -0.026868, -0.011376, 0.021549, 0.036393, 0.075264, -0.016985, 0.032138, -0.014711, 0.010946, 0.048259, -0.053066, -0.066552, -0.056661, 0.00959, 0.031115, -0.104749, -0.045631, 0.108121, -0.001538, -0.069907, 0.091963, -0.063954, 0.056136, -0.027217, 0.010885, 0.050808, -0.043293, -0.013319, -0.012028, -0.005308, 0.04905, -0.024165]]}, "key_value_pairs": {"perms_number": 3}, "mtime": 25.68322426373347, "numbers": {"__ndarray__": [[96], "int32", [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[96, 3], "float64", [7.79981, 13.77541, 7.55379, 8.80206, 13.15754, 13.69816, 5.12766, 9.07441, 10.69918, 10.27083, 14.37415, 12.51235, 7.09499, 11.99571, 6.37968, 6.00172, 8.44751, 12.6716, 8.53139, 10.70665, 5.37653, 12.31659, 13.6778, 12.26295, 7.46455, 6.83933, 12.758, 11.15179, 11.12516, 14.68886, 10.85364, 13.38211, 6.47722, 6.53213, 6.5568, 9.17882, 10.51924, 11.67624, 5.26542, 12.7757, 12.04668, 13.68738, 7.49741, 5.7003, 10.85921, 11.10004, 8.93996, 14.65329, 12.67953, 13.37889, 7.67916, 7.68403, 6.61796, 7.32353, 11.53188, 9.74914, 5.37899, 9.62065, 5.26425, 11.08977, 14.16072, 11.12636, 12.27826, 12.68784, 7.9595, 13.64988, 13.94719, 11.69102, 7.49486, 9.63513, 5.79522, 7.37456, 10.93097, 7.11939, 6.27291, 14.62808, 11.1698, 9.47286, 14.14871, 9.04904, 12.62007, 11.83569, 6.34099, 12.50926, 13.3877, 10.04679, 6.32633, 10.45942, 5.09482, 9.16689, 13.92539, 8.36837, 7.43306, 14.47161, 8.01163, 10.84511, 12.43361, 5.75283, 9.16689, 13.24652, 6.37385, 10.91758, 12.69552, 6.75688, 7.40324, 14.79047, 9.07352, 9.14815, 7.99186, 12.32529, 11.83132, 6.55351, 10.74473, 10.60457, 7.19788, 11.15678, 11.79415, 7.62804, 12.61266, 9.41074, 8.25812, 12.99659, 10.61607, 6.83852, 11.44015, 9.40819, 9.56949, 13.53211, 10.64171, 8.22731, 12.86624, 8.02558, 9.1285, 12.54567, 12.83192, 7.48378, 10.02733, 12.6008, 6.97743, 10.7731, 8.16487, 6.22238, 9.25116, 10.6579, 10.20487, 13.38816, 12.02222, 7.76776, 11.6125, 7.16527, 6.84566, 8.76171, 12.03434, 8.7825, 10.07304, 13.17424, 7.12049, 9.36663, 8.3067, 9.60537, 11.20638, 13.25871, 9.69727, 12.97825, 8.19207, 10.27013, 13.33848, 9.42193, 6.83319, 8.6225, 9.45997, 8.89468, 10.80271, 6.41539, 11.67606, 12.82255, 11.98062, 7.83278, 7.53186, 11.97953, 11.02168, 10.83848, 13.62706, 11.61195, 12.9051, 9.41404, 10.74588, 12.5476, 7.19662, 9.61689, 8.93636, 13.18016, 8.08818, 8.65478, 7.56904, 7.39336, 7.22466, 9.37426, 10.39173, 11.32564, 6.29953, 12.15499, 11.61131, 12.89087, 9.06962, 9.39445, 6.91729, 12.12993, 12.41239, 10.60584, 9.24647, 7.86925, 12.36969, 8.02509, 6.64705, 10.67372, 11.0179, 9.2567, 13.59496, 12.08091, 12.52201, 8.04579, 8.24719, 7.2452, 8.04263, 10.36364, 8.97557, 6.93204, 12.92343, 11.30371, 10.60145, 11.28796, 10.0223, 6.42843, 9.57032, 6.28567, 10.65354, 13.14908, 10.78204, 11.97249, 10.18664, 7.20063, 11.64707, 12.13091, 8.45072, 12.84195, 13.05664, 11.29707, 8.00128, 9.71256, 6.69365, 8.00016, 10.77135, 7.59563, 7.26074, 13.59143, 10.78599, 9.39276, 13.22957, 9.22835, 12.04386, 11.63313, 7.26537, 11.93169, 12.66524, 10.04058, 7.15486, 10.37158, 6.17952, 9.3225, 13.06257, 8.74629, 7.99391, 13.48123, 8.45074, 10.67708, 11.88189, 6.68406, 9.34203, 12.54779, 7.18427, 10.67434, 12.13261, 7.47944, 8.00779, 13.72152, 9.23496, 9.33653]]}, "stress": {"__ndarray__": [[6], "float64", [-0.00011697836403730404, -2.977199853046314e-06, 0.0001369387102218787, -4.1100337593941256e-05, 7.313176242797414e-05, 0.00019219479051332317]]}, "unique_id": "ff1951e07b27cec4526f983a038923fc", "user": "hecc"}, "ids": [1], "nextid": 2}