update create.f with changes from NIST database

also add parameters for Cr and document in README file and change the code to create output files with .eam.alloy extension
2022-02-09 10:54:15 -05:00
parent 6366972ef4
commit 60d03f34cc
4 changed files with 114 additions and 51 deletions
--- a/tools/eam_database/EAM_code
+++ b/tools/eam_database/EAM_code
@ -446,3 +446,31 @@ Zr
 1.0
 0.85
 1.15
+Cr
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+1.793835
+17.641302
+19.60545
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+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