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Figure 2
Unit-cell parameters and unit-cell volume as a function of temperature in the MD simulations. The phase transition is easily identified between 250 and 275 K. At 500 K the crystal melts.

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