ASE database

Displaying rows 1-25 out of 127
Formula ✕ Number of atoms ✕ Maximum force ✕ Mass ✕ Charge ✕ Calculator ✕ perms_num ✕ Energy ✕ Username ✕
C60H24 84 0.010 744.852 0.000 vasp 6 -608.351 mse-gucc
C60H24 84 0.009 744.852 0.000 vasp 6 -607.283 mse-gucc
C60H24 84 0.017 744.852 0.000 vasp 6 -611.446 mse-gucc
C60H24 84 0.015 744.852 0.000 vasp 12 -621.263 mse-gucc
C60H24 84 0.016 744.852 0.000 vasp 6 -611.676 mse-gucc
C60H24 84 0.024 744.852 0.000 vasp 12 -618.090 mse-gucc
C60H24 84 0.021 744.852 0.000 vasp 6 -612.147 mse-gucc
C60H24 84 0.018 744.852 0.000 vasp 6 -610.036 mse-gucc
C60H24 84 0.010 744.852 0.000 vasp 6 -621.445 mse-gucc
C60H24 84 0.024 744.852 0.000 vasp 6 -621.388 mse-gucc
C60H24 84 0.020 744.852 0.000 vasp 6 -609.490 mse-gucc
C60H24 84 0.023 744.852 0.000 vasp 6 -609.181 mse-gucc
C60H24 84 0.105 744.852 0.000 vasp 6 -607.465 mse-gucc
C60H24 84 0.016 744.852 0.000 vasp 6 -607.569 mse-gucc
C60H24 84 0.013 744.852 0.000 vasp 6 -620.592 mse-gucc
C60H24 84 0.032 744.852 0.000 vasp 6 -606.051 mse-gucc
C60H24 84 0.014 744.852 0.000 vasp 6 -619.238 mse-gucc
C60H24 84 0.018 744.852 0.000 vasp 6 -618.539 mse-gucc
C60H24 84 0.023 744.852 0.000 vasp 6 -607.326 mse-gucc
C60H24 84 0.011 744.852 0.000 vasp 6 -619.493 mse-gucc
C60H24 84 0.015 744.852 0.000 vasp 6 -618.679 mse-gucc
C60H24 84 0.026 744.852 0.000 vasp 6 -618.878 mse-gucc
C60H24 84 0.025 744.852 0.000 vasp 6 -618.909 mse-gucc
C60H24 84 0.019 744.852 0.000 vasp 6 -607.632 mse-gucc
C60H24 84 0.033 744.852 0.000 vasp 6 -607.414 mse-gucc