The initial configurations were generated during classical molecular dynamics simulations using the GROMACS 4.5.5 package, and the ions were modeled with the OPLS-AA forcefield. With 1 fs as the time step, all classical force-field based simulations were run for 1.5 ns in the NVT ensemble after 1 ns of equilibration in the NPT ensemble. The temperature was set at 1150 K for the classical simulations. For the AIMD simulations, we employed the dual basis sets of Gaussian-type orbitals (double zeta bases, DZVP-GTH) and plane waves with a 600 Ry cutoff. Atomic cores were modeled with the Goedecker-Teter-Hutter pseudopotentials (GTH). The Perdew-Burke-Ernzerhof (PBE) functionals were used for all atoms in the system, and the D2 dispersion corrections were utilized.