[lammps-users] Test resulting crystal lattice structure after a minimization


I want to know if there is a way to check the resulting crystal structure of a minimization routine to have the same crystal structure it started out as.
For example if I minimized a FCC structure and because of the potential it completely disfigured is there any easy way to check this other than
using visualization software.

The reason I ask this is that an potential optimization routine would minimize to a particular energy but have a different structure and I want the optimization
routine to converge to the required energy and structure.



Take a look at compute centro/atom or compute cna/atom.
They give some info on crystal structure.