# DATE: 2022-11-30 UNITS: metal CONTRIBUTOR: Ngoc Cuong Nguyen, exapde@gmail.com CITATION:  https://arxiv.org/abs/2209.02362
# chemical element symbols
species Ta

# periodic boundary conditions
pbc 1 1 1

# inner cut-off radius
rin 1.0

# outer cut-off radius
rcut 5.0

# polynomial degrees for radial basis functions
bessel_polynomial_degree 3
inverse_polynomial_degree 6

# one-body potential
onebody 1

# two-body linear POD potential
twobody_number_radial_basis_functions 6

# three-body linear POD potential
threebody_number_radial_basis_functions 5
threebody_number_angular_basis_functions 5

# four-body linear SNAP potential
fourbody_snap_twojmax 0 

# quadratic POD potential
quadratic_pod_potential 0