The equilibrated ZIF-4 crystal is then heated up above its melting temperature before being cooled down, with constant heating and cooling rates. While these rates are necessarily several orders of magnitude higher than in any achievable experiment, due to the small time scales tractable by MD simulations, they should be low enough to simulate a quasistatic process. Yang et al. opted for 96 K/ps 13 and the subsequent ReaxFF works used the lower value of 24 K/ps. A cooling rate of 50 K/ps was chosen for the ab initio work to ensure the tractability of the simulation but was then seen as a limitation of the work. 10 Using the computational effectiveness of reactive force fields, we opted here for heating and cooling rates of 2.5 K/ps.