# # CDDL HEADER START # # The contents of this file are subject to the terms of the Common Development # and Distribution License Version 1.0 (the "License"). # # You can obtain a copy of the license at # http://www.opensource.org/licenses/CDDL-1.0. See the License for the # specific language governing permissions and limitations under the License. # # When distributing Covered Code, include this CDDL HEADER in each file and # include the License file in a prominent location with the name LICENSE.CDDL. # If applicable, add the following below this CDDL HEADER, with the fields # enclosed by brackets "[]" replaced with your own identifying information: # # Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved. # # CDDL HEADER END # # # Portions Copyright (c) 2019, Regents of the University of Minnesota. # All rights reserved. # # Contributors: # Daniel S. Karls # Ellad B. Tadmor # Ryan S. Elliott # Ben C. Druecke # # Modified three-body cluster Stillinger-Weber potential for improved surface properties due to Stephenson, Radny and Smith. Stillinger FH, Weber TA (1985), Computer simulation of local order in condensed phases of silicon. Physical Review B 31(8):5262-5271. doi:10.1103/PhysRevB.31.5262 Stephenson PCL, Radny MW, Smith PV (1996), A modified Stillinger-Weber potential for modelling silicon surfaces. Surface Science 366(1):177-184. doi:10.1016/0039-6028(96)00801-1 This driver reads in one parameter file with the species followed by thirteen (13) parameters (required units indicated in square brackets following the parameter): species A [unitless] B [unitless] p [unitless] q [unitless] a [unitless] lambda [unitless] gamma [unitless] zeta [unitless] b [unitless] k [unitless] c [unitless] sigma [Angstrom] epsilon [eV]