units lj
dimension 3
boundary p p p

lattice sc 0.6

region box block 0 10 0 10 0 10 units lattice
create_box 1 box
create_atoms 1 box

mass 1 1.0
pair_style lj/cut 3.0
pair_coeff * * 1.0 1.0
neighbor 2.0 bin
velocity all create 1.0 123456
timestep 0.0025

fix nve all nve
compute ke all ke
run 5000
reset_timestep 0
thermo 100
variable vx atom vx
variable vy atom vy
variable vz atom vz
#fix test all ave/correlate 1 300 5000 c_thermo_press file correlate type auto/lower start 1
run 5000