At very long times (e.g., >1 µs), the NPT simulations on average crystallize to a greater extent than the NVT simulations, which in turn crystallize to a greater extent than the NVE simulations (see Fig. ). Given that the nuclei arising in the NPT, NVT, and NVE simulations are comparable, the aforementioned distinctions likely relate to long-time PE crystal growth being sensitive to the methodological differences between the simulations.