How to use CIF for geometry creation in LAMMPS

Hello Sir,
I am new user at LAMMPS. I want to create a slab of Zeolite I have a cif
file. I seen the documentation were the box was created by using lattice
command. I won't know how to use cif file to create a geometry. Please
tell me something. I am attaching the cif file.

Regards,
Abhijeet Dhakane

ABW.cif (1.52 KB)

Hello Sir,
I am new user at LAMMPS. I want to create a slab of Zeolite I have a cif
file. I seen the documentation were the box was created by using lattice
command. I won't know how to use cif file to create a geometry. Please
tell me something. I am attaching the cif file.

LAMMPS doesn't have a reader or tool to import CIF files.

axel.

Hi,

you can convert CIF-files to LAMMPS data files with my modified version of cif2cell which can be found here: https://github.com/andeplane/cif2cell-lammps

If it doesn’t work, please let me know.

Anders