ASE database

ID Formula Charge no_equ_11 ads_E Mass
1 Cu54Li 0.000 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 -2.222 3438.424
2 BeCu54 0.000 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 -2.934 3440.496
3 Cu54B 0.000 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 -5.472 3442.294
4 Cu54C 0.000 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 -6.254 3443.495
5 Cu54N 0.000 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 -4.599 3445.491
6 Cu54O 0.000 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 -5.385 3447.483
7 Cu54F 0.000 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 -4.264 3450.482
8 Cu54Ar 0.000 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 0.020 3471.432