ASE database

ID Formula no_equ_14 no_equ_8
1 Cu54Li ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940
2 BeCu54 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327
3 Cu54B ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122
4 Cu54C ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472
5 Cu54N ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917
6 Cu54O ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973
7 Cu54F ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537
8 Cu54Ar ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017