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# https://doi.org/10.1080/1478643031000091454
# https://doi.org/10.1557/opl.2012.520
# https://doi.org/10.1103/PhysRevB.85.184103
&FORCEFIELD
ZBL_SCATTERING off
&CHARGE
ATOM U
CHARGE +3.227252
&END CHARGE
&CHARGE
ATOM O
CHARGE -1.613626
&END CHARGE
&NONBONDED
&BUCK4RANGES
ATOMS O O
A [eV] 11272.6
B [Angstrom^-1] 1/0.1363
C [eV*Angstrom^6] 134.0
R1 [Angstrom] 1.2
R2 [Angstrom] 2.1
R3 [Angstrom] 2.6
# POLY1 [eV] 479.955320080974 -726.31182326300658189600 437.46708714153984869883 -130.69424768757823118006 19.32441467525360647073 -1.13054550680921504060
# POLY2 [eV] 42.891690970163 -29.36749918557121222274 6.46231710894909716023 -0.46402483936962076198
RCUT [Angstrom] 10.4
&END BUCK4RANGES
&WILLIAMS
ATOMS O U
A [eV] 566.498
B [Angstrom^-1] 1/0.42056
C [eV*Angstrom^6] 0.0
RCUT [Angstrom] 10.4
&END WILLIAMS
&WILLIAMS
ATOMS U U
A [eV] 0.0
B [Angstrom^-1] 0.0
C [eV*Angstrom^6] 0.0
RCUT [Angstrom] 10.4
&END WILLIAMS
&END NONBONDED
&SPLINE
EMAX_ACCURACY [hartree] 0.02
EMAX_SPLINE [hartree] 1.0E4
EPS_SPLINE [hartree] 1.0E-7
R0_NB [Angstrom] 0.1
&END SPLINE
&END FORCEFIELD
|
