Non-bonded Interactions: It is assumed that there is a non-bonded interaction between every atom in the system since the non-bonded interaction cutoff (which is typically 10 Å) is much larger than the size of molecular/crystal structures used for training. Therefore, non-bonded interactions form an N * N matrix. If the system has periodic boundary conditions, the box dimensions are a, b and c, and non-bonded interaction cutoff is r, then the size of the tensor for non-bonded interactions will become