We start with the characterization of the HT-HT single-crystal by cutting a representative subset from the center of the grown cluster after the NPT annealing. This subset consists of 3 x 3 neighboring chains (blue colored area in Fig. ). From this, we create a periodic crystal by replicating the structures 4 x 4 times in the ac-plane. This homogeneous crystal, consisting of N = 144 polymer chains (12 x 12 in the ac-plane), is then equilibrated in an NPT run at 300 K for 5 ns. Afterwards, a final NPT run for 1 ns is performed to collect structural data from the trajectory. The unit cell parameters, such as lattice lengths, angles, and mass density, are then averaged over the ensemble.