Additional data for "Hydrogen liquid-liquid transition from first principles and machine learning"

The dataset supports the paper "Hydrogen liquid-liquid transition from first principles and machine learning". The files contain: Final MACE machine learning interatomic potential used for all simulations. Trajectories and thermodynamic quantities obtained with classical NVT MD simulations on hydrogen systems with size N = 128, 256, 512, 2056 at various temperatures. Results obtained with ab initio MD simulation on a system of N=512 hydrogen atoms. PIMD results at T = 900K and T=1000K