From 7d32a328db946e7f294a4b6f48d26434186f1359 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 29 Jun 2012 15:51:11 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8428 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- potentials/library.meam | 15 +++++++++++++++ 1 file changed, 15 insertions(+) diff --git a/potentials/library.meam b/potentials/library.meam index 7dae0e8292..273aab8d50 100644 --- a/potentials/library.meam +++ b/potentials/library.meam @@ -3,6 +3,21 @@ # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar +'AlS' 'fcc' 12. 13 26.9815 +4.64 2.04 3.00 6.0 1.50 4.05 3.353 1.07 +1.0 +4.50 -2.30 8.01 1.0 -5 +'SiS' 'dia' 4. 14 28.086 +4.87 4.4 5.5 5.5 5.5 5.431 4.63 1. +1.0 2.05 4.47 -1.80 2.2 -5 +'MgS' 'hcp' 12. 12 24.305 +5.52 4.0 3.0 0.2 1.2 3.194 1.51 0.80 +1.0 10.04 9.49 -4.3 0.63 -5 +'CuS' 'fcc' 12. 29 63.54 +5.11 3.634 2.20 6 2.20 3.62 3.54 1.07 +1.0 4.91 2.49 2.95 1.10 -5 +'FeS' 'bcc' 8 26 55.847 +5.0270 3.500 2 1.00 1 2.851 4.28 0.5550 +1 -1.6 12.5 -1.40 1.0 -5 'Sn5' 'dia' 4. 50 118. 5.09 5.00 16.0 04.0 5.0 6.483 3.14 1.00 1.0 2.00 5.756 -0.30 1. 0