ASE database

Displaying rows 1-18 out of 18
↓ ID ✕ Formula ✕ Number of atoms ✕ Maximum force ✕ no_equ_21 ✕ no_equ_13 ✕
1 Cu54Li 55 0.009 - ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126
2 BeCu54 55 0.010 - ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465
3 Cu54B 55 0.005 - ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236
4 Cu54C 55 0.010 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632
5 Cu54N 55 0.005 - ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042
6 Cu54O 55 0.008 - ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321
7 Cu54F 55 0.006 - ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801
8 Cu54Ar 55 0.007 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009