# 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        real

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 0.0104 3.4000

#pair_style  kim LennardJones_Ar
#pair_coeff  * * Ar

mass         1 39.95
velocity     all create 200.0 232345 loop geom

neighbor     0.3 bin
neigh_modify delay 0 every 1 check yes

fix          1 all nve
#fix         1 all npt temp 1.0 1.0 1.0 iso 1.0 1.0 3.0

run          100