# 3d Lennard-Jones melt

variable	x index 1
variable	y index 1
variable	z index 1

variable	xx equal 20*$x
variable	yy equal 20*$y
variable	zz equal 20*$z

units		lj
atom_style	atomic

lattice		fcc 0.8442
region		box block 0 ${xx} 0 ${yy} 0 ${zz}
create_box	1 box
create_atoms	1 box
mass		1 1.0

velocity	all create 1.44 87287 loop geom

pair_style	lj/cut 2.5
pair_coeff	1 1 1.0 1.0

neighbor	0.3 bin
neigh_modify	delay 0 every 20 check no

fix		1 all nve

dump            1 all custom 100 lj.dump id type x y z

compute         myRDF all rdf 50 cutoff 2.5
fix             2 all ave/time 100 10 1000 c_myRDF[*] file rdf.first mode vector

thermo          100
run		1000