As we all know, VASP or other DFT calculation can give equilibrium position of the atom easily after optimization. However, if you use lammps, we should use supercell. Can lammps output the equilibrium position of the atom or internal atomic coordinateof primitive cell? How to do that? I have seen a paper calculate internal atomic coordinate with lammps as the fig shown.
I tried to output x,y,z every 10fs, but I donot know what should I do then.