units		lj
atom_style	atomic
pair_style	lj/cut 2.5

# create simulation box
lattice		fcc 0.7
region		mybox block -3 3 -3 3 -3 3 units lattice
create_box	1 mybox
create_atoms	1

# define masses and interactino coefficient
mass		* 1
pair_coeff	1 1 1.0 1.0

# create initial velocities
velocity	all create 0.85 4928459 dist gaussian 

# change neighbor list parameters to avoid dangerous builds
neigh_modify	delay 3

# specify simulation parameters
thermo		1000

# first equilibrate the initial condition
fix		1 all nvt 0.85 0.85 1.0
run		50000

# production run
fix		2 all rdf 1000 test.rdf 100 1 1
run		10000