ASE database

ID Formula no_equ_13 no_equ_6
1 Cu54Li ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776
2 BeCu54 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506
3 Cu54B ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361
4 Cu54C ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915
5 Cu54N ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404
6 Cu54O ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883
7 Cu54F ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859
8 Cu54Ar ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007