(1) The natural logarithm of the Octacid4 population versus the simulation time exhibited a linear relationship with r 2 of 0.98 for all 40 simulations that captured the Octacid4•xylene self-assembly, 0.85 for the first 20 of the 40 simulations, and 0.96 for the last 20 of the 40 simulations (Fig. ). These r 2 values indicate the convergency and internal consistency of the 40 simulations for which the firstorder self-assembly rate is expected as explained above.