ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_29 ✕ no_equ_13 ✕ no_equ_4 ✕ atom_E ✕ Maximum force ✕
1 Cu54Li - ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 -0.299 0.009
2 BeCu54 - ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 -0.039 0.010
3 Cu54B - ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 -0.349 0.005
4 Cu54C - ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 -1.248 0.010
5 Cu54N - ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 -3.124 0.005
6 Cu54O - ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 -1.533 0.008
7 Cu54F - ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 -0.424 0.006
8 Cu54Ar ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 -0.025 0.007