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(A) Near-neighbor occupancy plot. The sidebar shows the number of molecules around a given reference molecule. (B) Plot of sum of NNO vs temperature (°C). (C) Minimized (fully crystalline) system (red beads = sn-POSt molecules; green beads = sn-StOSt molecules). (D) System after 180 ns (most of the system is melted, while parts are still crystalline). All plots are for 50% sn-POP/50% sn-StOSt with an 80-molecule crack void (run 10).
