From: Morrissey, Liam S. (
Date: Sat Jul 21 2018 - 15:59:29 CDT


I am trying to build either of the two structures above with the goal of
making a lammps data file. I have tried to build it in Avogadro, load into
vmd, then use topotools. But avogadro is only using the primitive unit
cell. Is there a way to build these structures directly in VMD? I tried
inorganic builder but it does not have these materials. Any help would be
greatly appreciated.