add Cr parameters to python database file

This commit is contained in:
Axel Kohlmeyer
2022-02-14 18:06:48 -05:00
parent b0c0251154
commit c46dd3675a

View File

@ -608,3 +608,33 @@ Database["Zr"] = AtType(
0.85, 0.85,
1.15, 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
)