The first annealing simulation method involves step-wise cooling, where NPT simulations are conducted from 540 to 40 K with a step size of 20 K. At each temperature, a 2 ns equilibration followed by a 2 ns production run is performed, corresponding to a total simulation time of 100 ns. The second method employs continuous cooling simulations from 540 to 40 K at different simulation times: 0.1, 1, 10, and 100 ns, corresponding to various cooling rates of 5000, 500, 50, and 5 K/ns. To assess the impact of cooling rates, each initial cooling simulation (cool1) is followed by heating (heat1) and a second cooling simulation (cool2).