mirror of https://github.com/lammps/lammps.git
39 lines
1.4 KiB
Plaintext
Executable File
39 lines
1.4 KiB
Plaintext
Executable File
# DATE: 2015-10-14 CONTRIBUTOR: Aidan Thompson, athomps@sandia.gov CITATION: Branicio, Rino, Gan and Tsuzuki, J. Phys Condensed Matter 21 (2009) 095002
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#
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# Vashishta potential file for InP, Branicio, Rino, Gan and Tsuzuki,
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# J. Phys Condensed Matter 21 (2009) 095002
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#
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# These entries are in LAMMPS "metal" units:
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# H = eV*Angstroms^eta; Zi, Zj = |e| (e = electronic charge);
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# lambda1, lambda4, rc, r0, gamma = Angstroms;
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# D = eV*Angstroms^4; W = eV*Angstroms^6; B = eV;
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# other quantities are unitless
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# element1 element2 element3
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# H eta Zi Zj lambda1 D lambda4
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# W rc B gamma r0 C cos(theta)
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In In In 273.584 7 -1.21 -1.21 4.5 0.0 2.75
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0.0 6.0 0.0 0.0 0.0 0.0 0.0
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P P P 1813.06 7 1.21 1.21 4.5 52.7067 2.75
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0.0 6.0 0.0 0.0 0.0 0.0 -0.333333333333
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In P P 4847.09 9 1.21 -1.21 4.5 26.3533 2.75
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270.105 6.0 4.34967 1.0 3.55 7.0 -0.333333333333
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P In In 4847.09 9 1.21 -1.21 4.5 26.3533 2.75
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270.105 6.0 4.34967 1.0 3.55 7.0 -0.333333333333
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In In P 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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0.0 0.0 0.0 0.0 0.0 0.0 0.0
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In P In 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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0.0 0.0 0.0 0.0 0.0 0.0 0.0
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P In P 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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0.0 0.0 0.0 0.0 0.0 0.0 0.0
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P P In 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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0.0 0.0 0.0 0.0 0.0 0.0 0.0
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