units lj
dimension 3
boundary p p p
atom_style atomic

# truncated and shifted LJ potential
pair_style lj/cut 2.5
pair_modify shift yes

# fcc lattice
lattice	fcc 0.9731
region my_box block 0 8.0   0 8.0   0 20.0
create_box 1 my_box
region particles block 0 8.0 0 8.0 0 20.0
create_atoms 1 region particles
pair_coeff 1 1 1.0 1.0 2.5
mass 1 1.0
change_box all z final 0.0 34 remap units box

# select particles in one side of the elongated box
region left plane 0 0 10 0 0 1
group left region left

velocity left create 6.0 1 mom yes rot yes

# simulation parameters
neighbor	0.6 bin
timestep	0.004
run_style 	verlet
fix ensemble left nve     # Note: only move particle in left-hand side
fix langevin left langevin 3.0 0.8 100.0 2017

# outout
thermo_style custom step temp pzz pe lz
thermo 100
# dump dumpXYZ all xyz 100 traj.xyz

# run reduced for demonstration purposes
# run 10000
run 5000
write_data data.halfhalf