ASE database

Displaying rows 101-127 out of 127
Formula ✕ Number of atoms ✕ Maximum force ✕ Mass ✕ Charge ✕ Calculator ✕ perms_num ✕ Energy ✕ Username ✕
C60H24 84 0.935 744.852 0.000 vasp 1 -617.594 mse-gucc
C60H24 84 0.110 744.852 0.000 vasp 1 -620.184 mse-gucc
C60H24 84 1.391 744.852 0.000 vasp 1 -620.395 mse-gucc
C60H24 84 1.001 744.852 0.000 vasp 1 -621.436 mse-gucc
C60H24 84 0.445 744.852 0.000 vasp 1 -620.141 mse-gucc
C60H24 84 1.057 744.852 0.000 vasp 1 -619.459 mse-gucc
C60H24 84 0.718 744.852 0.000 vasp 1 -620.162 mse-gucc
C60H24 84 0.817 744.852 0.000 vasp 1 -619.929 mse-gucc
C60H24 84 0.752 744.852 0.000 vasp 1 -618.910 mse-gucc
C60H24 84 0.364 744.852 0.000 vasp 1 -623.037 mse-gucc
C60H24 84 13.598 744.852 0.000 vasp 1 -533.595 mse-gucc
C60H24 84 0.008 744.852 0.000 vasp 1 -621.943 mse-gucc
C60H24 84 0.010 744.852 0.000 vasp 1 -623.638 mse-gucc
C60H24 84 0.009 744.852 0.000 vasp 1 -622.597 mse-gucc
C60H24 84 0.722 744.852 0.000 vasp 1 -621.097 mse-gucc
C60H24 84 0.356 744.852 0.000 vasp 1 -623.414 mse-gucc
C60H24 84 0.324 744.852 0.000 vasp 1 -614.824 mse-gucc
C60H24 84 0.166 744.852 0.000 vasp 1 -616.410 mse-gucc
C60H24 84 0.348 744.852 0.000 vasp 1 -616.110 mse-gucc
C60H24 84 0.164 744.852 0.000 vasp 1 -615.559 mse-gucc
C60H24 84 0.268 744.852 0.000 vasp 1 -616.335 mse-gucc
C60H24 84 0.010 744.852 0.000 vasp 1 -620.341 mse-gucc
C60H24 84 0.338 744.852 0.000 vasp 1 -618.772 mse-gucc
C60H24 84 0.063 744.852 0.000 vasp 1 -615.353 mse-gucc
C60H24 84 0.008 744.852 0.000 vasp 1 -618.136 mse-gucc
C60H24 84 0.738 744.852 0.000 vasp 1 -620.231 mse-gucc
C60H24 84 0.268 744.852 0.000 vasp 1 -617.848 mse-gucc
C60H24 84 0.380 744.852 0.000 vasp 1 -618.308 mse-gucc
C60H24 84 0.010 744.852 0.000 vasp 1 -621.168 mse-gucc
C60H24 84 0.509 744.852 0.000 vasp 2 -620.276 mse-gucc
C60H24 84 0.294 744.852 0.000 vasp 1 -616.003 mse-gucc
C60H24 84 0.164 744.852 0.000 vasp 1 -616.169 mse-gucc
C60H24 84 0.412 744.852 0.000 vasp 1 -618.658 mse-gucc
C60H24 84 0.366 744.852 0.000 vasp 1 -621.272 mse-gucc
C60H24 84 1.208 744.852 0.000 vasp 1 -622.038 mse-gucc
C60H24 84 0.568 744.852 0.000 vasp 1 -618.840 mse-gucc
C60H24 84 0.044 744.852 0.000 vasp 1 -616.492 mse-gucc
C60H24 84 3.736 744.852 0.000 vasp 1 -608.120 mse-gucc
C60H24 84 0.009 744.852 0.000 vasp 1 -617.811 mse-gucc
C60H24 84 0.388 744.852 0.000 vasp 1 -616.661 mse-gucc
C60H24 84 0.233 744.852 0.000 vasp 1 -623.253 mse-gucc
C60H24 84 51.591 744.852 0.000 vasp 1 -383.898 mse-gucc
C60H24 84 0.008 744.852 0.000 vasp 1 -621.289 mse-gucc
C60H24 84 0.363 744.852 0.000 vasp 1 -618.326 mse-gucc
C60H24 84 0.047 744.852 0.000 vasp 2 -619.874 mse-gucc
C60H24 84 0.779 744.852 0.000 vasp 1 -621.088 mse-gucc
C60H24 84 0.084 744.852 0.000 vasp 1 -619.302 mse-gucc
C60H24 84 0.158 744.852 0.000 vasp 1 -617.173 mse-gucc
C60H24 84 0.009 744.852 0.000 vasp 1 -622.498 mse-gucc
C60H24 84 351.870 744.852 0.000 vasp 2 175.797 mse-gucc
C60H24 84 0.009 744.852 0.000 vasp 24 -612.210 mse-gucc
C60H24 84 0.010 744.852 0.000 vasp 24 -619.386 mse-gucc
C60H24 84 0.012 744.852 0.000 vasp 12 -616.977 mse-gucc
C60H24 84 0.012 744.852 0.000 vasp 12 -614.577 mse-gucc
C60H24 84 0.011 744.852 0.000 vasp 12 -618.140 mse-gucc
C60H24 84 0.009 744.852 0.000 vasp 12 -621.243 mse-gucc
C60H24 84 0.010 744.852 0.000 vasp 12 -620.570 mse-gucc
C60H24 84 0.026 744.852 0.000 vasp 12 -618.636 mse-gucc
C60H24 84 0.014 744.852 0.000 vasp 12 -613.203 mse-gucc
C60H24 84 0.269 744.852 0.000 vasp 2 -604.252 mse-gucc
C60H24 84 0.079 744.852 0.000 vasp 1 -599.902 mse-gucc
C60H24 84 0.006 744.852 0.000 vasp 24 -612.210 mse-gucc
C60H24 84 0.010 744.852 0.000 vasp 24 -619.386 mse-gucc
C60H24 84 0.015 744.852 0.000 vasp 12 -621.263 mse-gucc
C60H24 84 0.027 744.852 0.000 vasp 8 -621.083 mse-gucc
C60H24 84 0.027 744.852 0.000 vasp 8 -620.152 mse-gucc
C60H24 84 0.022 744.852 0.000 vasp 8 -619.460 mse-gucc
C60H24 84 0.012 744.852 0.000 vasp 8 -622.246 mse-gucc
C60H24 84 0.006 744.852 0.000 vasp 24 -612.210 mse-gucc
C60H24 84 0.010 744.852 0.000 vasp 24 -619.386 mse-gucc
C60H24 84 0.050 744.852 0.000 vasp 8 -619.458 mse-gucc
C60H24 84 0.019 744.852 0.000 vasp 8 -616.680 mse-gucc
C60H24 84 0.018 744.852 0.000 vasp 6 -616.025 mse-gucc
C60H24 84 0.018 744.852 0.000 vasp 6 -615.875 mse-gucc
C60H24 84 0.011 744.852 0.000 vasp 6 -617.188 mse-gucc
C60H24 84 0.016 744.852 0.000 vasp 6 -617.646 mse-gucc
C60H24 84 0.017 744.852 0.000 vasp 6 -620.144 mse-gucc
C60H24 84 0.016 744.852 0.000 vasp 6 -620.340 mse-gucc
C60H24 84 0.018 744.852 0.000 vasp 6 -612.281 mse-gucc
C60H24 84 0.018 744.852 0.000 vasp 6 -618.975 mse-gucc
C60H24 84 0.038 744.852 0.000 vasp 6 -614.774 mse-gucc
C60H24 84 0.023 744.852 0.000 vasp 6 -617.757 mse-gucc
C60H24 84 0.027 744.852 0.000 vasp 6 -618.562 mse-gucc
C60H24 84 0.026 744.852 0.000 vasp 6 -617.548 mse-gucc
C60H24 84 0.018 744.852 0.000 vasp 6 -618.987 mse-gucc
C60H24 84 0.013 744.852 0.000 vasp 6 -614.046 mse-gucc
C60H24 84 0.012 744.852 0.000 vasp 12 -616.977 mse-gucc
C60H24 84 0.011 744.852 0.000 vasp 6 -617.548 mse-gucc
C60H24 84 0.009 744.852 0.000 vasp 6 -617.233 mse-gucc
C60H24 84 0.011 744.852 0.000 vasp 6 -621.918 mse-gucc
C60H24 84 0.009 744.852 0.000 vasp 6 -622.253 mse-gucc
C60H24 84 0.013 744.852 0.000 vasp 6 -617.157 mse-gucc
C60H24 84 0.016 744.852 0.000 vasp 6 -616.639 mse-gucc
C60H24 84 0.022 744.852 0.000 vasp 6 -619.408 mse-gucc
C60H24 84 0.017 744.852 0.000 vasp 6 -619.466 mse-gucc
C60H24 84 0.009 744.852 0.000 vasp 6 -618.410 mse-gucc
C60H24 84 0.010 744.852 0.000 vasp 6 -619.318 mse-gucc
C60H24 84 0.011 744.852 0.000 vasp 6 -618.162 mse-gucc
C60H24 84 0.014 744.852 0.000 vasp 6 -618.041 mse-gucc
C60H24 84 0.014 744.852 0.000 vasp 6 -610.290 mse-gucc