ASE database

ID Formula no_equ_11 Dipole_val str_E
1 Cu54Li ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 -2.989 -193.113
2 BeCu54 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 -0.069 -193.566
3 Cu54B ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 0.558 -196.413
4 Cu54C ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 0.431 -198.094
5 Cu54N ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 0.356 -198.315
6 Cu54O ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 0.473 -197.510
7 Cu54F ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 0.677 -195.280
8 Cu54Ar ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 -0.049 -190.598