data file for RDX

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1

I know that the data.RDX file in Lammps Examples directory contains just 105 atoms.
I will be very thankful if somebody helps me about that how can create a file for a crystal with two two-dimensionally periodic slabs containing a total of 1344 atoms (as reported in this paper by Van Duin: http://prl.aps.org/abstract/PRL/v91/i9/e098301).
Thanks

2

There are few builder tools included in the LAMMPS
distro in the tools dir. You can also check this page
http://lammps.sandia.gov/prepost.html

for other existing builder tools.

Steve