units lj
dimension 3
boundary p p p
atom_style ellipsoid
lattice sc 0.01
region whole block 0 10 0 10 0 10
create_box 1 whole
create_atoms 1 box
compute rot all temp/asphere
pair_style gayberne 1.0 3.0 1.0 4.0
pair_coeff 1 1 3.0 1.2 1 1 2 1 1 2 2.5
neighbor 0.3 bin
fix 1 all npt/asphere temp 1.0 1.0 25.0 iso 1.5150 1.5150 10.00
fix LinMom all momentum 50 linear 1 1 1
velocity all create 1.0 199085 mom no
timestep 0.005
thermo_style custom step c_rot etotal pe ke press vol density
thermo 100
run 5000
dump 2 all custom 100 dump.uxl2 id x y z vx vy vz
run 2000