x . We use this relation to get an approximation of Eqn.7 as n 1 n 2 +2m 1 m 2 = 0 to simplify the choice of the integers (n 2 , m 2 ) for different choices of (n 1 , m 1 ). Using different values for the integer set to minimize atoms in simulation, we construct periodic supercells for twelve different angles (relative to the armchair direction): ψ = 0 , 70.17 • , 76.48 • , and 90 • . These approximate periodic supercells are then relaxed in a DFT simulation using the conjugate gradient relaxation scheme prior to deformation.