ASE database

ID Formula no_equ_24 no_equ_31 no_equ_9 Maximum force
1 Cu54Li - - ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 0.009
2 BeCu54 - - ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 0.010
3 Cu54B - - ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 0.005
4 Cu54C - - ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 0.010
5 Cu54N - - ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 0.005
6 Cu54O - - ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 0.008
7 Cu54F - - ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 0.006
8 Cu54Ar ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 0.007