These simulations explored a temperature range between 20 and 900 K for evaluating the thermal properties. Mechanical properties were investigated at 20, 300 and 600 K and in a pressure range of up to 0-10 GPa. Properties of interest were computed as averages from the last 50 ps of each simulation. Furthermore, the elastic constants were computed at 20 K using the ELASTIC_T scripts from LAMMPS, applying a strain of 2% to the simulation box.