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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13528 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2015-07-06 16:34:14 +00:00
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1
examples/meam/Ni.meam
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@ -1,2 +1,3 @@
# DATE: 2007-06-11 CONTRIBUTOR: Greg Wagner, gjwagne@sandia.gov CITATION: Unknown
rc = 4.0
delr = 0.1

1
examples/meam/SiC.meam
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@ -1,3 +1,4 @@
# DATE: 2007-06-11 CONTRIBUTOR: Greg Wagner, gjwagne@sandia.gov CITATION: Unknown
lattce(1,2) = 'dia'
Ec(1,2) = 6.4325
alpha(1,2) = 4.37

16
examples/meam/library.meam
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@ -1,8 +1,24 @@
# DATE: 2012-06-29 DATE: 2007-06-11 CONTRIBUTOR: Greg Wagner, gjwagne@sandia.gov CITATION: Baskes, Phys Rev B, 46, 2727-2742 (1992)
# meam data from vax files fcc,bcc,dia 11/4/92
# elt lat z ielement atwt
# 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