ASE database

ID Formula Username distance no_equ_17 no_equ_8
1 Cu54Li hecc 1.865 - ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940
2 BeCu54 hecc 1.012 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327
3 Cu54B hecc 0.409 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122
4 Cu54C hecc 0.260 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472
5 Cu54N hecc 0.399 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917
6 Cu54O hecc 0.772 - ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973
7 Cu54F hecc 1.238 - ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537
8 Cu54Ar hecc 3.861 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017