# FEASST particle file (https://doi.org/10.18434/M3S095)
# SPC/E water model
# See https:/doi.org/10.1021/j100308a038
#
#  H1
#  |
#  O1
#   \
#     H2
#
# Units
# length: Angstrom
# energy: kJ/mol
# charge: elementary

Site Properties

O cutoff=10 cutoff_outer=1 charge=-0.8476 sigma=3.16555789 epsilon=0.650169581
H cutoff=10 cutoff_outer=1 charge=0.4238 sigma=0 epsilon=0

Sites

O1 O  0                    0                    0
H1 H  1.0                  0                    0
H2 H -0.333313247568237000 0.942816142731718000 0

Bond Properties

OH RigidBond length=1.0 delta=0.0001

Bonds

O1H1 OH O1 H1
O1H2 OH O1 H2

Angle Properties

HOH RigidAngle degrees=109.47 delta=0.01

Angles

H1O1H2 HOH H1 O1 H2
