The finite strain difference approach consists in first establishing the P -V relationship, and then fitting it with an equation of state (EoS). P -V data is generated here by running multiple MD simulations in the (N, V, T ) ensemble by enforcing the volume V , with the resulting pressure P (V ) of the equilibrated system being measured. The well-behaved region of the P -V data was fitted with the second order Birch-Murnaghan EoS. Mechanical properties at a given temperature T can also be evaluated from the fluctuations of a system at equilibrium, simulated under a constant stress in the (N, σ, T ) ensemble.