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See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevB.90.045425 for two videos, showing the MV-1 thermoactive diffusion in a 15-ps evolution of the ab initio MD simulation at two different temperatures of 400 and 1000 K, which are named MV-1-400K.gif and MV-1-1000K.gif, respectively.
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