/usr/share/gdis/models/so4_iso.gin is in gdis-data 0.90-5build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 | opti conp molmec
switch_min rfo gnorm 0.100000
name so4_iso
cartesian
S core 0.00044 -0.00002 0.00000
O core 1.46314 -0.00002 0.00000
O core -0.48786 -1.37892 0.00000
O core -0.48786 0.68948 1.19420
O core -0.48786 0.68948 -1.19420
species 2
S core 1.616000
O core -0.904000
element
cova O 0.60
end
buck intra
O core O core 2607.0400 0.254260 0.0000 1.000 2.500
buck inter
O core O core 103895.56 0.200000 25.980 1.000 15.000
morse bond
S O 5.01 1.03826 1.23661 0 0 0
three bond
S O O 15.0 109.47 0 0
print 1
|