Warning! Note that elemental potentials taken from alloy descriptions may not work well for the pure species. This is particularly true if the elements were fit for compounds instead of being optimized separately. As with all interatomic potentials, please check to make sure that the performance is adequate for your problem.
Citation: A. Nakano, R.K. Kalia, and P. Vashishta (1994), "First sharp diffraction peak and intermediate-range order in amorphous silica: finite-size effects in molecular dynamics simulations", Journal of Non-Crystalline Solids, 171(2), 157-163. DOI: 10.1016/0022-3093(94)90351-4.
Abstract: Large-scale molecular dynamics simulations of amorphous silica are carried out on systems containing up to 41472 particles using an effective interatomic potential consisting of two-body and three-body covalent interactions. The intermediate-range order represented by the first sharp diffraction peak (FSDP) in the neutron static structure factor shows a significant dependence on the system size. Correlations in the range 0.4–1.1 nm are found to play a vital role in determining the shape of the FSDP correctly. The calculated structure factor for the largest system is in excellent agreement with neutron diffraction experiments, including the height of the FSDP.