[lammps-users] Orient and Lattice

Dear LAMMPS users,

I tried to simulate the system ( see the script below ) but
temperature was not decreasing ( I assume that according to
equipartition it should go down ) so I assume something is wrong but
cannot really figure what. I already tried to simulate smaller system
and look whether atoms on the boundaries are not overlapping but
everything seemed fine. Any help would be highly appreciated.

#Si sw

units real
dimension 3
atom_style atomic

lattice diamond 5.4307 orient x 0 1 -1 orient y -2 1 1 orient z 1 1 1
region box block 0 5 0 5 0 5

create_box 1 box
create_atoms 1 box
mass 1 28.0855

velocity all create 300 41211 mom yes rot yes dist gaussian

pair_style sw
pair_coeff * * si.sw Si

neighbor 2.00 bin
neigh_modify delay 10

log log1.lammps
run_style verlet

fix 2 all nve
dump 1 all custom 200 Si_data_eks1.out id type x y z
thermo_style custom step temp pe ke etotal vol press enthalpy
thermo 100
run 20000

You're using real units for Si, when the file is
parameterized in metal units. See the pair sw
doc page.