To obtain further information and also to analyze the behavior of the Lennard-Jones energies, these were subdivided into their individual components, as shown in Figure . The subdivision of the Coulomb interactions can be seen in Figure of the Supporting Information. The characteristic order of the different curves is most apparent in the HS-calcium (HS-CA) in (Figure (c)) and water-calcium (W-CA) Lennard-Jones interactions (Figure (e)). This is reasonable because the same order was observed in the Coulomb interactions, where the calcium ions were involved, and they are also involved in these two types of interaction. Furthermore, it is evident that the Lennard-Jones interactions between the calcium ions and the rest of the system account for a significant proportion of the total Lennard-Jones potential energy.