DATASET for analysis of LiAlSiO4 and Li12La3Zr2O12
Author: Leonid Kahle (leonid.kahle@epfl.ch)
Date: 04.02.2019

You find a jupyter-notebook called site-analysis-LASO.ipynb and the necessary data in ./data/LASO/ neccessary to analyze LiAlSiO4.
There is also the jupyter-notebook called site-analysis-LLZO.ipynb and the data in ./data/LLZO-500/ for the analysis of Li12La3Zr2O12.

In order to run the notebook, you need to install:
 - the sitator Python package from: https://github.com/Linux-cpp-lisp/sitator
 - the Suite for Analysis of Molecular Simulations (SAMOS): https://github.com/lekah/samos
 - matplotlib for the figures.
 - jupyter for python
 - QUIP and quippy: https://libatoms.github.io/QUIP/
 - Zeo++: http://www.zeoplusplus.org/
 
Using pip install for sitator, samos and matplotlib is recommended. For QUIP, quippy and Zeo++, follow the specific installation instructions. This package has been tested with python 2.7