forked from lijiext/lammps
14 lines
927 B
Plaintext
14 lines
927 B
Plaintext
# DATE: 2021-11-04 UNITS: metal CONTRIBUTOR: Zbigniew Koziol softquake@gmail.com CITATION: Z. Koziol et al.: https://arxiv.org/abs/1803.05162
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#
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# Lebedeva potential: https://doi.org/10.1039/C0CP02614J and https://doi.org/10.1016/j.physe.2011.07.018
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# Parameters must be in this order as here, otherwise their values may be changed.
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# Energies here are given in meV.
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# The last one, S, is convenient for scaling the potential amplitude. S is a multiplication factor for A, B, C
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# A B C z0 alpha D1 D2 lambda1 lambda2 S
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# These are values according to Lebedeva et al.: https://doi.org/10.1016/j.cplett.2012.03.082
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C C 10.510 11.652 29.5 3.34 4.16 -0.86232 0.10049 0.48703 0.46445 1.0
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#
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# These are values by Z. Koziol et al.: https://arxiv.org/abs/1803.05162
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C1 C1 14.558 21.204 1.8 3.198 4.16 -0.862 0.10049 0.6 0.4 1.0
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