diff --git a/potentials/GaN_sw.poly b/potentials/GaN_sw.poly index 9ab29a59d..95735f83d 100644 --- a/potentials/GaN_sw.poly +++ b/potentials/GaN_sw.poly @@ -1,6836 +1,8014 @@ -### 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 6.98535072e+05 6.98535072e+05 6.98535072e+05 - 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1.74062196e+00 1.74326294e+00 1.74590591e+00 1.74855089e+00 1.75119787e+00 - 1.75384685e+00 1.75649784e+00 1.75915082e+00 1.76180581e+00 1.76446280e+00 - 1.76712179e+00 1.76978278e+00 1.77244578e+00 1.77511078e+00 1.77777778e+00 -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 -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 -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 +### DATE: 2015-12-09 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 + 2000 2000 10 1.00000000e+04 + 3.36000000e+00 0.00000000e+00 + 2.34000000e+00 0.00000000e+00 + 3.05100000e+00 0.00000000e+00 + 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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