forked from lijiext/lammps
21 lines
486 B
Plaintext
21 lines
486 B
Plaintext
# DATE: 2020-06-01 UNITS: metal CONTRIBUTOR: Mary Alice Cusentino mcusent@sandia.gov CITATION: M.A. Cusentino, M. A. Wood, and A.P. Thompson, "Explicit Multi-element Extension of the Spectral Neighbor Analysis Potential for Chemically Complex Systems", J. Phys. Chem. A, 124 5456 (2020)
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# required
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rcutfac 1.0
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twojmax 6
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# elements
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nelems 2
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elems In P
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radelems 3.81205 3.82945
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welems 1 0.929316
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# optional
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rfac0 0.99363
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rmin0 0.0
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bzeroflag 1
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wselfallflag 1
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chemflag 1
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bnormflag 1
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