ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ plane_index ✕ Maximum force ✕ no_equ_21 ✕ no_equ_23 ✕ Charge ✕ no_equ_16 ✕ Username ✕ Maximum stress ✕
1 Cu54Li 100 0.009 - - 0.000 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 hecc 0.009
2 BeCu54 100 0.010 - - 0.000 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 hecc 0.008
3 Cu54B 100 0.005 - - 0.000 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 hecc 0.008
4 Cu54C 100 0.010 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 - 0.000 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 hecc 0.008
5 Cu54N 100 0.005 - - 0.000 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 hecc 0.007
6 Cu54O 100 0.008 - - 0.000 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 hecc 0.009
7 Cu54F 100 0.006 - - 0.000 - hecc 0.009
8 Cu54Ar 100 0.007 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 0.000 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 hecc 0.009