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
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30# The contents of this file are subject to the terms of the Common Development
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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
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41#
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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