All NEB calculations were performed using five NEB images in the climbing image variant to optimize the transition state using VTST version 184. Initial linear or image dependent pair potential (IDPP) interpolation as included in VTST, and ASE was used to generate initial guesses of the NEB path. A spring constant of 5 eV/Å 2 with nudging was used. Transition state structures from the NEB calculations were further refined using the dimer method. Pre-and postprocessing was conducted using functionality from the ASE and TST packages. Plots were produced using the matplotlib library, and VMD was used for structural representations. The full workflow including all scripts, plots, inputs, and outputs generated in this project are available on Zenodo and NOMAD. Results and Discussion