From c46dd3675aa03b3ee63b39cfb59378037b979dc6 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 14 Feb 2022 18:06:48 -0500 Subject: [PATCH] add Cr parameters to python database file --- tools/eam_database/eamDatabase.py | 30 ++++++++++++++++++++++++++++++ 1 file changed, 30 insertions(+) diff --git a/tools/eam_database/eamDatabase.py b/tools/eam_database/eamDatabase.py index 26d22d2f3a..db70b7d2b7 100644 --- a/tools/eam_database/eamDatabase.py +++ b/tools/eam_database/eamDatabase.py @@ -608,3 +608,33 @@ Database["Zr"] = AtType( 0.85, 1.15, ) +Database["Cr"] = AtType( + "Cr", + 2.493879, +1.793835, +17.641302, +19.60545, +8.604593, +7.170494, +1.551848, +1.827556, +0.18533, +0.277995, +-2.022754, +0.039608, +-0.183611, +-2.245972, +-2.02, +0.00, +-0.056517, +0.439144, +0.456, +-2.020038, +24, +51.9961, +0.439144, +7.170494, +0.277995, +0.85, +1.15 +)