1 K 21.70102e+01 3-5.42400e-02 44.97670e-01 56.36900e+00 6 7# Row 1: `rcut' cutoff value in Angstroms 8# Row 2: Morse `epsilon' value in eV 9# Row 3: Morse `C' value in 1/Angstroms 10# Row 4: Morse `Rzero' value in Angstroms 11# (See README for Pair_Morse_Shifted__MD_552566534109_001 for further details.) 12# 13# Parameters (epsilon, C, Rzero) for K taken from: 14# L. A. Girifalco, V. G. Weizer, Phys. Rev., Vol 114, no 3, 1959, pp687--690 15# 16# The cutoff radius is computed so that 17# 18# phi(rcut)=tol*|phi(rmin)|, (*) 19# 20# where phi(r) is the Morse potential, 'rcut' is the cutoff radius, 21# `rmin' is the radius at which phi(r) is a minimum, and 22# `tol' is a small number. Here, (*) is solved numerically for `rcut'. 23# 24# `cutoff' in this file is for a "Low" tolerance of tol = 1.00000e-02. 25# 26 27# 28# CDDL HEADER START 29# 30# The contents of this file are subject to the terms of the Common Development 31# and Distribution License Version 1.0 (the "License"). 32# 33# You can obtain a copy of the license at 34# http://www.opensource.org/licenses/CDDL-1.0. See the License for the 35# specific language governing permissions and limitations under the License. 36# 37# When distributing Covered Code, include this CDDL HEADER in each file and 38# include the License file in a prominent location with the name LICENSE.CDDL. 39# If applicable, add the following below this CDDL HEADER, with the fields 40# enclosed by brackets "[]" replaced with your own identifying information: 41# 42# Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved. 43# 44# CDDL HEADER END 45# 46 47# 48# Copyright (c) 2013, Regents of the University of Minnesota. 49# All rights reserved. 50# 51# Contributors: 52# Ryan S. Elliott 53# 54