#CoreShells bond BondDipoles UreyBradley bend inv tors improper-torsion bond/bond bond/bend bend/bend stretch/torsion bend/torsion 2 2 0 0 3 0 0 0 0 0 0 0 0 # Core and Shells O shO Oa shOa #bond stretch atom n1-n2, equilibrium distance, bondforce-constant O shO CORE_SHELL_SPRING 1308559.403689 Oa shOa CORE_SHELL_SPRING 3181030.436364 #bond bending atom n1-n2-n3, equilibrium angle, bondforce-constant shO Si shO CORE_SHELL_BEND 2134.8836673 109.47 shOa Si shO CORE_SHELL_BEND 2134.8836673 109.47 shOa Al shOa CORE_SHELL_BEND 7540.8928232 109.47