This repository contains supplementary data and resources accompanying the manuscript:
"Tailoring foundation models for crystal structure prediction: A new high-pressure phase in Fe-Ni-Ca"
N.M. Chtchelkatchev, M.V. Magnitskaya, R.E. Ryltsev
The repository provides machine learning interatomic potentials (MLIPs), the fine-tuning dataset, and supporting files necessary to reproduce the results reported in the paper.