Supporting Data for "Local Symmetry Breaking and Two-Stage Phase Transitions in RuP Uncovered by a Fine-Tuned Atomistic Foundation Model"

This is the supporting data for the manuscript “Fine-Tuned Atomistic Foundation Model Uncovers Phase Transitions and Short-Range Order in RuP” [TBA]. The repository includes: 1- Dataset used to MACE-MP-0b3 foundation model. (file: ./1-mono_and_ortho_all-temps_NpT_PBE-D4_sampled-10fs-traj_ML-dataset.xyz.tar.bz2) 2- The fine-tuned MACE-MP-0b3 foundation model file. (file: ./2-fine-tuned_mace-mp-0b3-medium_vf_compiled.model-lammps.pt.tar.bz2) 3- Dataset for figures plotted in the manuscript and supporting information. (file: ./3-figures.tar.bz2)