diff --git a/potentials/CuTa_eam.poly b/potentials/CuTa_eam.poly new file mode 100644 index 0000000000..d02f24d415 --- /dev/null +++ b/potentials/CuTa_eam.poly @@ -0,0 +1,2830 @@ +### DATE: 2015-06-06 CONTRIBUTOR: X. W. Zhou, xzhou@sandia.gov, CITATION: Zhou, Johnson, and Wadley, Phys. Rev. B, 16, 144113 (2014), Zhou, Foster, Jones, Yang, Fan, and Doty, J. Mater. Sci. 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0000000000..9ab29a59d8 --- /dev/null +++ b/potentials/GaN_sw.poly @@ -0,0 +1,6836 @@ +### DATE: 2015-06-06 CONTRIBUTOR: X. W. Zhou, xzhou@sandia.gov, CITATION: Bere, and Serra, Phil. Mag. 86, 2159(2006), Zhou, Foster, Jones, Yang, Fan, and Doty, J. Mater. Sci. Res., 4, 15 (2015) + 2 0 + 31 6.97200000e+01 Ga + 7 1.40100000e+01 N + 3.36000000e+00 0.00000000e+00 + 2.34000000e+00 0.00000000e+00 + 3.05100000e+00 0.00000000e+00 +spline 2000 0 3.36 + 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 + 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 + 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 + 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 + 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 + 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 + 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 + 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 + 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 + 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 6.98535072e+05 + 6.98535072e+05 6.98535072e+05 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-4.44444444e+03 + -5.55555556e+03 -6.66666667e+03 -7.77777778e+03 -8.88888889e+03 -1.00000000e+04 +spline 10 0 10000.0 + -1.00000000e-20 -1.11111111e+03 -2.22222222e+03 -3.33333333e+03 -4.44444444e+03 + -5.55555556e+03 -6.66666667e+03 -7.77777778e+03 -8.88888889e+03 -1.00000000e+04 diff --git a/potentials/GaN_tersoff.poly b/potentials/GaN_tersoff.poly new file mode 100644 index 0000000000..e2b4d132a4 --- /dev/null +++ b/potentials/GaN_tersoff.poly @@ -0,0 +1,8430 @@ +### DATE: 2015-06-06 CONTRIBUTOR: X. W. Zhou, xzhou@sandia.gov, CITATION: Nord, Albe, Erhart, and Nordlund, J. Phys.: Condens. Matter, 15, 5649(2003), Zhou, Foster, Jones, Yang, Fan, and Doty, J. Mater. Sci. Res., 4, 15 (2015) + 2 0 + 31 6.97200000e+01 Ga + 7 1.40100000e+01 N + 3.02000000e+00 1.00000000e+00 + 2.40000000e+00 1.00000000e+00 + 3.10000000e+00 1.00000000e+00 +spline 2000 0 3.02 + 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 + 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 + 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 + 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 + 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 + 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 + 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 + 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 + 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 + 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 4.55648995e+02 + 4.55648995e+02 4.55648995e+02 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