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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13529 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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2015-07-06 16:34:33 +00:00
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examples/nb3b/MOH.nb3b.harmonic
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# DATE: 2013-06-28 CONTRIBUTOR: Todd Zeitler, tzeitle@sandia.gov CITATION: none
# nb3b/harmonic (nonbonded 3-body harmonic) parameters for various elements # nb3b/harmonic (nonbonded 3-body harmonic) parameters for various elements
# #
# multiple entries can be added to this file, LAMMPS reads the ones it needs # multiple entries can be added to this file, LAMMPS reads the ones it needs
@ -12,9 +13,9 @@
# (ijj)-->determines cutoff for i-j distance # (ijj)-->determines cutoff for i-j distance
# (jik)-->determines k, theta_0 for i-j-k angle term # (jik)-->determines k, theta_0 for i-j-k angle term
# #
# ielem jelem kelem k theta_0 cutoff # ielem jelem kelem k theta_0 cutoff
O M M 0.00 0.00 2.80 O M M 0.00 0.00 2.80
O H H 0.00 0.00 1.20 O H H 0.00 0.00 1.20
O M H 6.35 120.00 0.00 O M H 6.35 120.00 0.00
O H M 6.35 120.00 0.00 O H M 6.35 120.00 0.00