1. The folder dataframes.tar.gz contains csv files with the energy densities, polarizations and intermediate results to reproduce Figure 4.
   The born charges used to obtain the polarizations in the dataframes from the structures are 'Sr':2.55052, 'Ti':6.57707, 'O':-2.98386.

2. The folder atomate.tar.gz contains jsons with the input/output information of the DFT calculations and the force field calculations that were not part of a SSCHA simulation. (used in Figure 4 and in the appendix)
   The calculations were created with the normal StaticMaker from atomate2 and a StatikMaker for Nequip Force fields.

3. The folder sscha.tar.gz contains the output files of the SSCHA simulation including the energies/forces of the ensemble and the dynamical matrix.

4. The folder nequip_forcefield.tar.gz contains the trained force field as well as the input config and output files produced by the nequip training.