Each of these sets of initial conditions was specifically chosen based on literature of a-Al2O3 modelling to narrow the initial input size for our models. The range of densities 3.18, 3.30, and 3.42 g/cm 3 was chosen based on previous experimental literature on a-Al2O3 which suggests a range of possible densities between 3.05 to 3.40 g/cm and further evidence that a density of 2.9 g/cm is well below what is expected experimentally as this model from Lizarraga et al. contained AlO3 environments which are not observed in experiment . A 120-atom model was used in order allow for computational efficiency, given the computational intensity of both NMR and XAS in DFT. Finally, the 'quenching' and 'cooling' schemes are in line with two distinct methods of amorphous model generation found in the literature . Although the cooling method is more commonly employed , as slower cooling rates have shown to give better results in line with experiment, the 'quenching' method used on a slab model of Al2O3 and Al showed consistent radial distribution functions to experiment, prompting us to explore this method.