To induce glass transition amorphization of our system, we performed a series of 1-ns simulations in OpenMM 34 to increase the temperature of the system from 300 K to 800 K in an NVT ensemble, in increments of 50 K every simulation. To cool down the system, the reverse strategy was applied under an NPT ensemble while applying a pressure of 50 bar via a Monte Carlo Membrane barostat in which x-and y-axes were scaled anisotropically while the z-axis was allowed to vary independently. A final NPT simulation was carried out at 300 K for 10 ns to allow for equilibration and relaxation of the amorphous PET material model.