are generally negligible. The forces between each pair of atoms may be characterized by a potential energy function V that depends on the distance of separation of the atoms. The potential energy of the entire lattice is the sum of all pairwise potential energies multiplied by a factor of 1/2 to compensate for double counting:

where r_i is the position of the ith atom, and V is the potential energy between two atoms.

It is difficult to

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