Temperature and pressure were controlled by applying the Nosé-Hoover thermostatbarostat algorithm as implemented in LAMMPS using relaxation constants of 0.1 ps and 1.0 ps for temperature and pressure, respectively. Non-bonded short-range interactions were cut off at a distance delimiter of 12 Å. To account for long-range Coulomb interactions, the particle-particle particle-mesh Ewald approach was utilized.