ASE database

ID Formula no_equ_10 no_equ_1
1 Cu54Li ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
2 BeCu54 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
3 Cu54B ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
4 Cu54C ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
5 Cu54N ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
6 Cu54O ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
7 Cu54F ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
8 Cu54Ar ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500