log log.quench.lj.4M
units lj
dimension 3
atom_style atomic
# create simulation box
lattice	fcc 1.0
region simbox block -204 204 -204 204  -3 3
create_box 2 simbox
create_atoms 2 box
set group all type 1 
set group all type/fraction 2 0.2 486 
mass 1 1.0
mass 2 1.0
pair_style lj/cut 2.5
pair_coeff 1 1 1.000000 1.000000  2.5
pair_coeff 2 2 0.500000 0.880000  2.2
pair_coeff 1 2 1.500000 0.800000  2.0
pair_modify shift yes
pair_write 1 1 1000 r 0.7 2.8 LJ.plt LJ
pair_write 1 2 1000 r 0.7 2.8 LJ.plt LJ
pair_write 2 2 1000 r 0.7 2.8 LJ.plt LJ

thermo 1
thermo_style custom step temp etotal pe press vol
velocity all create 1.000000 365 loop all
fix 1 all nph xyz 0.0 0.0 1.0 #drag 0.2
run 10000
unfix 1
fix 1 all npt 0.70000 0.3 1.0 xyz 0.0 0.0 1.0 #drag 0.2
run 100000
unfix 1
fix 1 all npt 0.3 0.3 1.0 xyz 0.0 0.0 1.0 #drag 0.2
run 10000
unfix 1
fix 1 all npt 0.3 0.01 1.0 xyz 0.0 0.0 1.0 #drag 0.2
run 10000
unfix 1
fix 1 all npt 0.01 0.01 1.0 xyz 0.0 0.0 1.0 #drag 0.2
run 10000
unfix 1
fix 1 all nve
run 10000
write_restart bin.4M
clear