# FEASST particle file (https://doi.org/10.18434/M3S095)
# This model is in development and may not be suitable for use.
# F3C is model of water with 3 sites and flexible bonds and angles.
# https://doi.org/10.1021/jp964020s
# While Table 1 includes A and B, the energy function does not have B,
# and the units are confused.
#
# H
#  \
#   O -- H
#
#
# Units
# length: Angstrom
# energy: kJ/mol
# charge: elementary

Site Properties

0 sigma=3.5332 epsilon=0.7732032 cutoff=10 charge=-0.82 cutoff_outer=1
1 sigma=0.9    epsilon=0.0418400 cutoff=10 charge=0.41  cutoff_outer=1

Sites

0 0  0                    0                    0
1 1  1.0                  0                    0
2 1 -0.333313247568237000 0.942816142731718000 0

Bond Properties

0 BondHarmonic equilibrium_length=1 k_energy_per_length_sq=1046

Bonds

0 0 0 1
1 0 0 2

Angle Properties

0 AngleHarmonic equilibrium_degrees=109.47 k_energy_per_radian_sq=251.04

Angles

0 0 1 0 2
