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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8428 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2012-06-29 15:51:11 +00:00
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commit 7d32a328db
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potentials/library.meam
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@ -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