Dear LAMMPS users,
Does anyone know whether there is a tool to convert LAMMPS trajectory file into .cif file?
I tried to do it by using VESTA software, but after the conversion the unit cell is bigger with an empty space surrounding the structure.
PS. I use pbc and the trajectories are saved in NVT ensemble. I use the 16 Mar 2018 LAMMPS version.
Thank you in advance,
Regards,
Christina
SREMat research group Secondary Resources for Engineered Materials
Department of Materials Engineering (MTM), KU Leuven, Belgium