# 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		metal
atom_style	atomic

#newton off

lattice		fcc 4.4300
region		box block 0 ${xx} 0 ${yy} 0 ${zz}

create_box	1 box
create_atoms	1 box

pair_style	lj/cut 8.1500
pair_coeff	1 1 0.0031 2.7400
pair_modify     shift yes

#pair_style     kim model_Ne_P_LJ_efficiency
#pair_coeff      * * Ne

mass		1 20.18
velocity	all create 200.0 232345 loop geom

neighbor	0.3 bin
neigh_modify	delay 0 every 1 check yes

fix		1 all nve

run 		100