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Molecular mechanics (MM) simulations have been used to model two small crystals of cellulose Iβ surrounded by water. These small crystals contained six different extended surfaces: (110), (11¯0), two types of (100), and two types of (010). Significant changes took place in the crystal structures. In both crystals there was an expansion of the unit cell, and a change in the γ angle to almost orthogonal...