This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• MD-SIMULATIONS.tar.gz: Input and output files for the NPT-MD runs; the outputs of these runs (cell trajectories) serve as inputs for the strain-fluctuation method to extract the elastic tensors and moduli from the dynamics (open-source code at https://github.com/materzanini).
• README_MD-SIMULATIONS.txt: Detailed description of the contents of MD-SIMULATIONS.tar.gz.
• STATIC-CALCULATIONS.tar.gz: Input and output files for the static calculations (energy-volume isotropic compressions and Murnaghan fits; stress-strain calculations).
• README_STATIC-CALCULATIONS.txt: Detailed description of the contents of STATIC-CALCULATIONS.tar.gz.