ASE database

ID Formula no_equ_8 no_equ_3
1 Cu54Li ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949
2 BeCu54 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237
3 Cu54B ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490
4 Cu54C ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762
5 Cu54N ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570
6 Cu54O ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226
7 Cu54F ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090
8 Cu54Ar ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139