echo            both
units           metal
atom_style      atomic
boundary        p p p
timestep        0.001

lattice         fcc 3.8325
region          simbox prism 0 60 0 60 0 60 0.0 0.0 0.0  units box
create_box      2 simbox

region          cube prism   0 60 0 60 0 60 0.0 0.0 0.0  units box
create_atoms	1 region cube
set             group all type/fraction 2 0.5 12393 
mass			1 63.546
mass			2 26.9815

pair_style		eam/alloy
pair_coeff		* * AlCu.eam.alloy Cu Al


#################### Equilibriation ####################

velocity          all create 300 123456 mom yes rot yes
fix               0 all momentum 1 linear 1 1 1
fix	              1  all nvt temp 300 300 0.1

thermo            500
thermo_style      custom step temp pe ke etotal
dump              1   all     custom    1000    dumpequilibration.lammpstrj id  type x  y  z mass
log               logmin.txt
run               25000
log               log.lammps append

unfix             1
undump            1
##############################################################################

fix               2 all npt temp 300 300 0.1 iso 0 0 1 
thermo            500
thermo_style      custom step temp pe ke etotal
dump              1   all     custom    1000    dumpequilibration.lammpstrj id  type x  y  z mass
dump_modify       1  append yes
log               logmin.txt append
run               25000
log               log.lammps append

unfix             2
undump            1
##############################################################################

unfix             0
write_data        relax.txt