# 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 # use only for enviroment-adaptive potentials number_of_environment_clusters 1 # principal_components of local descriptors number_of_principal_components 2 # polynomial degrees for radial basis functions bessel_polynomial_degree 4 inverse_polynomial_degree 8 # two-body linear POD potential twobody_number_radial_basis_functions 6 # three-body linear POD potential threebody_number_radial_basis_functions 5 threebody_angular_degree 4 # four-body linear POD potential fourbody_number_radial_basis_functions 4 fourbody_angular_degree 3 # five-body linear POD potential fivebody_number_radial_basis_functions 2 fivebody_angular_degree 0 # six-body linear POD potential sixbody_number_radial_basis_functions 0 sixbody_angular_degree 0 # seven-body linear POD potential sevenbody_number_radial_basis_functions 0 sevenbody_angular_degree 0