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