C V (T ) was obtained from central differentiation. MLMD simulations were performed at temperatures T 1 and T 2 , where ∆T = T 2 -T 1 . We then extract the corresponding mean internal energies of the simulations E 1 and E 2 , where ∆E = E 2 -E 1 . the simulations ran at temperatures ranging from 200 K to 900 K with a constant ∆T = 50 K were used to calculate the heat capacity.