The models were constructed and analyzed using another one of my current projects, the CAC model builder (CACmb). I am currently working on the paper which describes this tool. It has the microrotation and deformation gradient analysis built in for both CAC and purely atomistic models. If you need help with the analysis feel free to email me. All the simulations were run using PyCAC which is currently not freely available. Please email me if you would like to get access to the simulation code.