ASE database

ID Formula str_E no_equ_19 no_equ_8 Age Maximum force no_equ_20
1 Cu54Li -193.113 - ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 15M 0.009 -
2 BeCu54 -193.566 - ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 15M 0.010 -
3 Cu54B -196.413 - ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 15M 0.005 -
4 Cu54C -198.094 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 15M 0.010 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715
5 Cu54N -198.315 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 15M 0.005 -
6 Cu54O -197.510 - ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 15M 0.008 -
7 Cu54F -195.280 - ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 15M 0.006 -
8 Cu54Ar -190.598 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 15M 0.007 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005