In both equilibration schemes, 120 atoms with concentration Al2O3 were packed into a cubic box, using Packmol . The cell was then melted at a temperature of 4000K for 10 ps (5000 AIMD steps with a 2 fs time step). In the cooling scheme, the cell was then cooled to the desired equilibration temperature using the Nose-Hoover thermostat, whereas in the quenching scheme, the cell was immediately equilibrated from the melt for a further 10 ps. In this Structure Generation we have thus captured both the ergodicity across the range of timesteps, and the randomness across the range of AIMD simulations for a-Al2O3.