ASE database

ID Formula no_equ_2 no_equ_1
1 Cu54Li ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
2 BeCu54 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
3 Cu54B ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
4 Cu54C ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
5 Cu54N ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
6 Cu54O ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
7 Cu54F ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
8 Cu54Ar ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500