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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@606 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2007-06-08 13:34:24 +00:00
parent 987a9f40a6
commit 7cd5040612
3 changed files with 18047 additions and 1 deletions
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potentials/ch.airebo
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# AI-REBO Brenner potential
# AI-REBO Brenner/Stuart potential
# need to cite the appropriate papers here
1.7 rcmin_CC
1.3 rcmin_CH

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potentials/fe-p.eam.fs Normal file
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potentials/sic.tersoff Normal file
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# 2-Body n, beta, lambda2, B, lambda1, and A
# 3-Body lambda3, c, d, and costheta0
# I think 'R' is dependent on the type of cluster
# Rutuparna Narulkar @ Oklahoma State University
# Tersoff parameters for various elements and mixtures
# multiple entries can be added to this file, LAMMPS reads the ones it needs
# these entries are in LAMMPS "metal" units:
# A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
# other quantities are unitless
# format of a single entry (one or more lines):
# element 1, element 2, element 3,
# lambda3, c, d, costheta0, n,
# beta, lambda2, B, R, D, lambda1, A, Chi
C C C 0.0 38049 4.3484 -.57058 .72751
0.00000015724 2.2119 346.7 1.80 0.3 3.4879 1393.6
Si Si Si 0.0 100390 16.217 -.59825 .78734
0.0000011 1.73222 471.18 2.7 0.3 2.4799 1830.8
Si Si C 0.0 100390 16.217 -.59825 .78734
0.0000011 1.73222 471.18 2.2 0.3 2.4799 1830.8
Si C C 0.0 100390 16.217 -.59825 .787340
0.0000011 1.97205 395.126 2.20 0.3 2.9839 1597.3111
C Si Si 0.0 38049 4.3484 -.57058 .72751
0.00000015724 1.97205 395.126 2.20 0.3 2.9839 1597.3111
C Si C 0.0 38049 4.3484 -.57058 .72751
0.00000015724 2.2119 346.7 1.80 0.3 3.4879 1393.6
C C Si 0.0 38049 4.3484 -.57058 .72751
0.00000015724 2.2119 346.7 2.2 0.3 3.4879 1393.6
Si C Si 0.0 100390 16.217 -.59825 .78734
0.0000011 1.73222 471.18 2.2 0.3 2.4799 1830.8