Constructing Arizona-type and Wyoming-type montmorillonite from pyrophyllite model

Example of initial structures for Arizona-type and Wyoming-type montmorillonite, the structures are shown in lmp.data format to do molecular simulation in lammps. We also provide a python script for constructing the charged montmorillonite models from the pyrophyllite model. To run this script, you should install the packmol software first.