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Figure 1
The simulation box containing 12 × 12 × 12 = 1728 independent molecules as used in the MD simulations. A snapshot at 275 K is shown.

IUCrJ
Volume 6| Part 1| January 2019| Pages 136-144
ISSN: 2052-2525
https://doi.org/10.1107/S205225251801686X