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lammps/potentials/Ni_Mo.mliap.descriptor
macstein 75fd4e9eec update
2021-06-09 16:59:59 -07:00

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# DATE: 2014-09-05 UNITS: metal CONTRIBUTOR: Aidan Thompson athomps@sandia.gov CITATION: Thompson, Swiler, Trott, Foiles and Tucker, arxiv.org, 1409.3880 (2014)
# LAMMPS SNAP parameters for Ta_Cand06A
# required
rcutfac 4.1
nmax 3
lmax 2
alpha 2.0
nelems 2
elems Mo Ni
radelems 0.5 0.5
welems 42 28