| 1 |
! This is the forcefield file for the Embedded Atom Method Force Field (EAM_FF). |
| 2 |
! |
| 3 |
! There is only a section for AtomTypes which defines mass and the name |
| 4 |
! of the file which contains the rho(r), phi(r) and F[rho] functions. |
| 5 |
|
| 6 |
begin BaseAtomTypes |
| 7 |
Al 26.98 |
| 8 |
Au 196.97 |
| 9 |
Ag 107.87 |
| 10 |
Cu 63.55 |
| 11 |
Ni 58.71 |
| 12 |
Pd 106.40 |
| 13 |
Pt 195.09 |
| 14 |
end BaseAtomTypes |
| 15 |
|
| 16 |
begin EAMAtomTypes |
| 17 |
Al Al.VC.funcfl |
| 18 |
Au Au.VC.funcfl |
| 19 |
Ag Ag.VC.funcfl |
| 20 |
Cu Cu.VC.funcfl |
| 21 |
Ni Ni.VC.funcfl |
| 22 |
Pd Pd.VC.funcfl |
| 23 |
Pt Pt.VC.funcfl |
| 24 |
end EAMAtomTypes |
