ASE database

ID Formula no_equ_15 distance Age Charge no_equ_25
1 Cu54Li ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 1.865 15M 0.000 -
2 BeCu54 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 1.012 15M 0.000 -
3 Cu54B ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 0.409 15M 0.000 -
4 Cu54C ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 0.260 15M 0.000 -
5 Cu54N ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 0.399 15M 0.000 -
6 Cu54O ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 0.772 15M 0.000 -
7 Cu54F ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 1.238 15M 0.000 -
8 Cu54Ar ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 3.861 15M 0.000 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005