From 3d3a99c082f723d18bebab0eb8d7d08817897b4c Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 9 Nov 2016 16:50:34 -0500 Subject: [PATCH] added missing potential for tersoff/mod/c --- potentials/Si.tersoff.modc | 10 ++++++++++ 1 file changed, 10 insertions(+) create mode 100644 potentials/Si.tersoff.modc diff --git a/potentials/Si.tersoff.modc b/potentials/Si.tersoff.modc new file mode 100644 index 0000000000..6c8224667f --- /dev/null +++ b/potentials/Si.tersoff.modc @@ -0,0 +1,10 @@ +# DATE: 2016-11-09 CONTRIBUTOR: Ganga P Purja Pun (George Mason University, Fairfax) CITATION: Unknown +# +# Format: +# element1 element2 element3 +# beta alpha h eta +# beta_ters lam2 B R D lam1 A +# n c1 c2 c3 c4 c5 C +Si Si Si 3.00000000 1.80536502 -0.38136087 2.16152496 +1 1.39343356 117.78072440 2.87478837 0.33090566 3.18011795 3198.51383127 +1.98633876 0.20123243 614230.04310619 996439.09714140 3.33560562 25.20963770 -0.00592042