DGPT model to generate an initial atomic structure. The theoretical XRD pattern of the generated structure is shown, along with the mean absolute error (MAE) when compared to the original input XRD pattern. To further demonstrate the impact of optimization, we apply ), with the 0 translation representing the perfect crystal. After generating the crystals, we predict their simulated patterns. We then use these patterns, along with the chemical formula Si, to generate the DGPT-based atomic structure and its corresponding diffraction pattern. Furthermore, the DGPT-generated structure is optimized using ALIGNN-FF, and the corresponding XRD patterns are also presented.