making Cu46Zr54

Dear Lammps user,

I am trying to make Cu46zr54 configuration, is it enough just to change the atom fraction in the type 2 to 0.54 (following script) or i should make more atoms by create_atom or other commands in Lammps?

any help and suggestions is appreciated,

units metal
dimension 3
atom_style atomic
boundary p p p

neighbor 2.0 bin
neigh_modify delay 0 every 1 check yes exclude none page 100000 one 2000

lattice fcc 4.15
region simbox block -8 8 -8 8 -8 8
create_box 2 simbox
create_atoms 2 box
set group all type 1
set group all type/fraction 2 0.54 486

pair_style eam/fs
pair_coeff * * CuZr_mm.eam.fs Cu Zr

Best regards,


Dear Sara,

I think you can make the configuration in a data file as well, and introduce the file to LAMMPS.