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lammps/potentials/NiO.ctip
2024-09-12 00:17:21 -04:00

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# CTIP potential parameters for Ni-O UNITS: metal DATE: 2024-09-11 CONTRIBUTOR: Gabriel Plummer gabriel.w.plummer@nasa.gov
# X (eV) J (eV) gamma (1/ang) zeta (1/ang) Z (e) qmin qmax omega
Ni -5.840000 14.157390 0.549290 0.000000 0.000000 0.000000 2.000000 100.000
O 0.000000 15.655862 1.428571 0.000000 0.000000 -2.000000 0.000000 100.000