ASE database

Displaying rows 1-25 out of 31
Formula ✕ Charge ✕ Maximum force ✕ Mass ✕ ads_site ✕ str_E ✕ distance ✕ Dipole_val ✕ Calculator ✕
Au54H 0.000 0.008 10637.203 2f -168.070 0.464 -0.123 vasp
Au54He 0.000 0.006 10640.197 2f -165.069 3.597 -0.011 vasp
Au54Li 0.000 0.008 10643.135 2f -168.230 1.620 -2.696 vasp
Au54Be 0.000 0.008 10645.207 2f -169.147 0.461 -0.238 vasp
Au54B 0.000 0.008 10647.005 2f -171.055 0.094 -0.022 vasp
Au54C 0.000 0.009 10648.206 2f -171.207 0.055 0.044 vasp
Au54N 0.000 0.008 10650.202 2f -170.577 0.748 0.360 vasp
Au54O 0.000 0.009 10652.194 2f -169.926 0.843 0.594 vasp
Au54F 0.000 0.005 10655.193 2f -168.695 1.259 1.029 vasp
Au54Ne 0.000 0.010 10656.374 2f -165.085 3.424 -0.012 vasp
Au54Na 0.000 0.005 10659.184 2f -167.652 2.111 -4.669 vasp
Au54Mg 0.000 0.010 10660.500 2f -167.509 1.410 -2.555 vasp
AlAu54 0.000 0.010 10663.176 2f -169.611 0.934 -0.805 vasp
Au54Si 0.000 0.006 10664.280 2f -170.944 0.866 -0.276 vasp
Au54P 0.000 0.006 10667.168 2f -171.031 1.150 0.008 vasp
Au54S 0.000 0.007 10668.255 2f -169.906 1.251 0.191 vasp
Au54Cl 0.000 0.010 10671.645 2f -167.868 1.721 0.752 vasp
Au54Ar 0.000 0.006 10676.143 2f -165.095 3.651 -0.077 vasp
Au54H 0.000 0.010 10637.203 1b -168.428 0.885 -0.004 vasp
Au54He 0.000 0.009 10640.197 1b -165.069 3.568 -0.017 vasp
Au54Li 0.000 0.009 10643.135 1b -167.904 1.954 -3.955 vasp
Au54Be 0.000 0.009 10645.207 1b -167.816 1.213 -1.093 vasp
Au54B 0.000 0.009 10647.005 1b -169.754 0.861 -0.008 vasp
Au54C 0.000 0.006 10648.206 1b -170.497 1.062 0.475 vasp
Au54N 0.000 0.010 10650.202 1b -170.360 1.146 0.930 vasp