I am trying to simulate wurtzite InN system with Stillinger-Weber potential (parameters taken from Lei et. al., “Core structures of the a-edge dislocation in InN”, Applied Physics Letters 90, 111901 (2007)) using LAMMPS May 14, 2012 release. I created the SW table following that of GaN that comes with LAMMPS, but somehow I can not match the lattice parameter, let alone other properties. There is huge compressive stress (~70 GPa) in the system with the reported lattice parameter.
I used my potential table creator script to reproduce GaN.sw and it did very well.
GaN and InN are both wurtzite in my case (different lattice parameter and c/a). Since I could reproduce GaN properties, I think my crystal maker code is also doing fine (so is my lammps input script which just does a static minimization of the structure).
Now, I am somewhat confused as to what is going wrong.
The SW table for InN looks like: