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The twin boundary types are: (a) Type-1, (b) Type-2, (c) Type-3, (d) Type-4, (e) Type-5, and (f) Type-6. The simulations were performed using the twinning boundary Types 1-6 shown in Figs. S2.2–S2.5 as the initial structures. Types 7, 8 evolved into Type 6 prior to reaching 300 K.
