log		log_in_test.txt

  package	omp 64


# ----- Simulation Setup -----
  units		metal
  atom_style	molecular
  dimension	3
  boundary	p p p
  newton	on


# ----- Create Atoms -----
  read_data	data_graphene_5x5.txt

  region	1 block &
		INF 0.0 &
		INF INF &
		INF INF
  group		left region 1

  region 	2 block &
		48.0 INF &
		INF INF &
		INF INF
  group 	right region 2

  group		sheet subtract all left right
  group		contact union left sheet right


# ----- Interatomic Potentials -----
  pair_style	airebo/omp 1.5
  pair_coeff	* * CH.airebo C

  bond_style	harmonic/omp
  bond_coeff	1 25.0 1.421

  angle_style	harmonic/omp
  angle_coeff	1 85.0 120.0

  dihedral_style harmonic/omp
  dihedral_coeff 1 1.6 1 2


# ----- Processor Behavior -----
  neighbor	2.0 bin
  neigh_modify	delay 10 &
		every 10 &
		check yes &
		once yes &
		cluster yes &
		include all &
		exclude none &
		page 1000000 &
		one 10000


# ----- Simulation Constraints -----
#  fix		1 all nvt/omp &
#		temp 4.0 4.0 10.0
  displace_atoms left move &
		5.0 0.0 0.0


# ----- Create Output Files -----
  dump		1 all image 10 image_test_*.jpg &
		type &
		type &
		size 1000 1000


# ----- Run the Simulation -----
  timestep	1

  thermo	10
  thermo_style	custom &
		step &
		pe &
		lx ly lz

  run		100