Here, R IJ ≡ ∥R IJ ∥ and RIJ ≡ R IJ /R IJ , while σ 0 , σ exp , κ 1 , σ osc , k 2 , κ 2 , and C 2 are fit parameters. ϵ( RIJ , ûI , ûJ ), ϵ exp ( RIJ , ûI , ûJ ), and ϵ osc ( RIJ , ûI , ûJ ) are anisotropic energy functions, and σ( RIJ , ûI , ûJ ) is an anisotropic distance function, which contain a number of fit parameters. The standard form of the S-function potential was modified to include the exponent p( RIJ , ûI , ûJ ), which is a function of the pair orientation. The forms of these anisotropic fitted functions and derivation of the forces and torques are defined in section SV of the SM.