Molecular dynamics simulations were conducted using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), with system construction facilitated by Moltemplate. Post-simulation analyses and visualization were performed using OVITO Pro. We utilized Fridriksson et al.'s force field to capture the complex atom interactions within the (BA) 2 (MA)Pb 2 I 7 system. The model used by Fridriksson is derived from the MYP potential, which has been adopted to study 2D perovskites. Simulations incorporated the particle-particle particle-mesh (PPPM) methodology for long-range Coulombic interactions, ensuring a force accuracy of 10 -7 . Notably, we recalculated the PPPM grid size every 50 ps to address the triclinic cell's varying tilt, thus preserving simulation precision.