lammps/potentials

This directory contains potential files for different elements and
alloys, as used by LAMMPS for various pair styles.  See the
description of the "pair_style" and "pair_coeff" commands for details
of the file formats and the various styles in LAMMPS that read these
files.

The prefix of each file indicates the element(s) it is parameterized
for.  An additional lower-case identification tag may be appended.

Si = Silicon
SiC = Silicon and Carbon
Au_u3 = Gold universal 3

For many of the files, comments in the header section give origin and
citation information. Note that these files are provided primarily to 
demonstrate the different types of interatomic potentials that LAMMPS 
supports. In most cases we have confirmed that when used with the
latest LAMMPS code, it reproduces results in the cited publication.
In some cases, it may be necessary to specify other parameters not 
contained in the potential file. Also, for particular
materials and applications, a different potential file may be more 
suitable than the one provided here. For best results, users should 
do a thorough search of published literature and on-line databases
such as Knowledgebase of Interatomic Models (KIM) and Interatomic 
Potentials Repository Project (NIST).
They should then choose the best potential for their 
application, and verify that they have defined it correctly in LAMMPS 
by comparing with published results for that potential.

The suffix of each file indicates the pair style it is used with:

adp           ADP angular dependent potential
airebo	      AI-REBO and REBO potentials
bop	      BOP potential, analytic form
bop.table     BOP potential, tabulated form
cdeam         concentration-dependent EAM
comb          COMB potential
comb3         COMB3 potential
eam	      embedded atom method (EAM) single element, DYNAMO funcfl format
eam.alloy     EAM multi-element alloy, DYNAMO setfl format
eam.fs	      Finnis-Sinclair EAM format (single element or alloy)
edip          EDIP potential for silicon-based materials
eim           embedded-ion method (EIM) potential
lcbop         LCBOP long-range bond-order potential
meam	      modified EAM (MEAM) library and individual elements/alloys
meam.spline   modified EAM (MEAM) spline potential
meam.sw.spline modified EAM (MEAM) Stillinger-Weber spline potential
nb3b.harmonic nonbonded 3-body harmonic potential
reax	      ReaxFF potential (see README.reax for more info)
snap          SNAP potential
snapcoeff     SNAP potential
snapparam     SNAP potential
sw	      Stillinger-Weber potential
tersoff	      Tersoff potential
tersoff.mod   modified Tersoff potential
tersoff.zbl   Tersoff with ZBL core