n-ary 2 # arity 2 -> binary 0.6 # number fraction (5 * 0.6 = 3, which is N_A for global minimum) 1 # number of sites in this type class 1 site 0.0 0.0 0.0 orient 0.0 0.0 0.0 0.4 # number fraction 1 # number of sites in this type class 2 site 0.0 0.0 0.0 orient 0.0 0.0 0.0 matrix # lj sig eps rep att # AA 1 1 lj 1.0 1.0 1.0 1.0 # AB 1 2 lj 1.125 1.0 1.0 1.0 # BB 2 2 lj 1.25 1.0 1.0 1.0