# LAMMPS input for coupling MD/Quantum

units		metal
dimension	3
atom_style	atomic
atom_modify	sort 0 0.0

lattice		diamond 5.43
region		box block 0 1 0 1 0 1
create_box	1 box
create_atoms	1 box
mass		1 28.08

velocity	all create 300.0 87293 loop geom

fix		1 all nve
fix		2 all external pf/callback 1 1

dump		1 all custom 1 dump.md id type x y z fx fy fz
thermo		1