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74e10df | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 | #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
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