I attached the NPT input file to obtain the lattice constant of fcc-AlCu3 alloy using AlCu.eam.alloy, which is provided in Potential directory of LAMMPS. However, after initialization, the temperature is increased and the alloy is melted (crystal lattice is distroyed), which is viewed in xmovie. It's funny. In the case of pure Ni using Ni_us.eam, such problem is not occured.
Because I think the AlCu.eam.alloy potential is reliable, maybe are there any further command options for alloy simulation?
boundary p p p
lattice fcc 4.2
region box block 0 10.0 0 10.0 0 10.0
create_box 2 box
create_atoms 1 box basis 1 1 basis 2 2 basis 3 2 basis 4 2
pair_coeff * * AlCu.eam.alloy Al Cu
neighbor 0.3 bin
neigh_modify delay 5
velocity all create 500.0 4928459 rot yes dist gaussian
fix 1 all npt 500.0 500.0 10.0 xyz 0.0 0.0 10.0 drag 1.2
thermo_style custom step temp press vol etotal cpu
dump 1 all atom 10 dump.eam1500