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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@719 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-07-03 14:27:46 +00:00
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24
potentials/SiC.tersoff
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@ -1,7 +1,5 @@
# 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
# Si and C mixture, parameterized for Tersoff potential
# this file is from 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
@ -12,28 +10,28 @@
# 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
# beta, lambda2, B, R, D, lambda1, A
C C C 0.0 38049 4.3484 -.57058 .72751
0.00000015724 2.2119 346.7 1.80 0.3 3.4879 1393.6
0.00000015724 2.2119 346.7 1.95 0.15 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
0.0000011 1.73222 471.18 2.85 0.15 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
0.0000011 1.73222 471.18 2.36 0.15 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
0.0000011 1.97205 395.126 2.36 0.15 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
0.00000015724 1.97205 395.126 2.36 0.15 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
0.00000015724 2.2119 346.7 1.95 0.15 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
0.00000015724 2.2119 346.7 2.36 0.15 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
0.0000011 1.73222 471.18 2.85 0.15 2.4799 1830.8