Our MLP development protocol involves several different types of DFT calculations. We use single-point energy evaluations (DFT/SPE), geometry optimizations (DFT/OPT) and abinitio molecular dynamics (AIMD) simulations. All DFT calculations are performed using the Vienna ab-initio simulation package (VASP). We use the RPBE functional 41 with Grimme's D3 dispersion corrections using a Becke-Johnson damping scheme. A plane wave energy cutoff of 500 eV is used. Ionic relaxation steps are terminated when the forces on all atoms are less than 0.05 eV/ Å. Our AIMD simulations are performed within an NVT ensemble using the Nose-Hoover thermostat.