ASE database

ID Formula Mass Magnetic moment no_equ_6 no_equ_25
1 Cu54Li 3438.424 0.000 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 -
2 BeCu54 3440.496 -0.000 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 -
3 Cu54B 3442.294 0.000 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 -
4 Cu54C 3443.495 -0.000 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 -
5 Cu54N 3445.491 -0.000 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 -
6 Cu54O 3447.483 0.000 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 -
7 Cu54F 3450.482 -0.000 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 -
8 Cu54Ar 3471.432 -0.000 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005