#CoreShells bond BondDipoles UreyBradley bend inv tors improper-torsion bond/bond bond/bend bend/bend stretch/torsion bend/torsion 0 3 0 3 6 0 0 0 0 0 0 0 6 # bond stretch atom n1-n2, equilibrium distance, bondforce-constant Si O HARMONIC_BOND 300724.7766358210 0.0 Si Oa HARMONIC_BOND 300724.7766358210 0.0 Al Oa HARMONIC_BOND 300724.7766358210 0.0 # Urey-Bradly atom n1-n2, equilibrium distance, bondforce-constant Si O Si HARMONIC_UREYBRADLEY 27488.737702263100 0.0 Si Oa Si HARMONIC_UREYBRADLEY 27488.737702263100 0.0 Al Oa Si HARMONIC_UREYBRADLEY 27488.737702263100 0.0 # bond bending atom n1-n2-n3, equilibrium angle, bondforce-constant O Si O HARMONIC_BEND 69537.444165505200 109.5 Oa Si O HARMONIC_BEND 69537.444165505200 109.5 Oa Al Oa HARMONIC_BEND 69537.444165505200 109.5 Si O Si QUARTIC_BEND 5462.505569039470 149.5 -17157.805510863100 13351.672598242100 Si Oa Si QUARTIC_BEND 5462.505569039470 149.5 -17157.805510863100 13351.672598242100 Al Oa Si QUARTIC_BEND 5462.505569039470 149.5 -17157.805510863100 13351.672598242100 # bend/torsion atom n1-n2-n3-n4, Si O Si O SMOOTHED_THREE_COSINE_DIHEDRAL 0.0 0.0 -352.4197 Si O Si Oa SMOOTHED_THREE_COSINE_DIHEDRAL 0.0 0.0 -352.4197 Si Oa Si O SMOOTHED_THREE_COSINE_DIHEDRAL 0.0 0.0 -352.4197 Si Oa Al Oa SMOOTHED_THREE_COSINE_DIHEDRAL 0.0 0.0 -352.4197 Al Oa Si O SMOOTHED_THREE_COSINE_DIHEDRAL 0.0 0.0 -352.4197 Al Oa Si Oa SMOOTHED_THREE_COSINE_DIHEDRAL 0.0 0.0 -352.4197