# bulk Cu lattice

variable        x index 1
variable        y index 1
variable        z index 1

variable        xx equal 20*$x
variable        yy equal 20*$y
variable        zz equal 20*$z

units           metal
atom_style      atomic

lattice         fcc 3.6150
region          box block 0 ${xx} 0 ${yy} 0 ${zz}
create_box      1 box
create_atoms    1 box

pair_style      eam
pair_coeff      1 1 Cu_lmp_data.eam

velocity        all create 300.0 376847 loop geom

fix             1 all npt temp 300.0 300.0 0.01 aniso 1.0 1.0 0.1

timestep        0.002
thermo_style   custom etotal pe ke temp press vol pxx pyy pzz pxy pxz pyz lx ly lz
thermo          1

run             100000