/usr/share/gdis/models/gibb.gin is in gdis-data 0.90-5.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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switch rfo gnorm 1.0
title
gibbsite fit
end
name gibbsite
cell
8.684000 5.078000 9.736000 90.000000 94.540000 90.000000
fractional
Al core 0.167900 0.529500 0.997700
Al core 0.334400 0.023600 0.997600
O1 core 0.177900 0.218300 0.888500
O1 core 0.669200 0.655800 0.897700
O1 core 0.498400 0.131500 0.895600
O1 core 0.979500 0.629300 0.893200
O1 core 0.297100 0.717800 0.894800
O1 core 0.819400 0.149100 0.898500
O1 shel 0.177900 0.218300 0.888500
O1 shel 0.669200 0.655800 0.897700
O1 shel 0.498400 0.131500 0.895600
O1 shel 0.979500 0.629300 0.893200
O1 shel 0.297100 0.717800 0.894800
O1 shel 0.819400 0.149100 0.898500
H1 core 0.077262 0.136549 0.874464
H1 core 0.574642 0.552033 0.897494
H1 core 0.494353 0.110970 0.795476
H1 core 0.951158 0.814745 0.886939
H1 core 0.295768 0.716748 0.794078
H1 core 0.805904 0.161311 0.797539
space
P 1 21/N 1
observable
freq 1
168 3617 0.1
end
element
covalent Al 0.1
end
species 6
Al core 3.000
O1 core 0.948
O1 shel -2.366
H1 core 0.418
observables
weights 11
3 4 5 6 49 50 51 52 95 96 97
20000 20000 20000 1000 20000 20000 20000 1000 20000 20000 20000
end
# mine
buck inter
Al core O1 shel 1342.86 0.2944 0.0 0.0 15.0 0 0 0
buck inter
Al core H1 core 560.44 0.2906 0.0 0.0 15.0 0 0 0
buck inter
O1 shel O1 shel 9999.97 0.1490 17.0 0.0 15.0 0 0 0
buck inter
O1 shel H1 core 235.00 0.2500 0.0 0.0 15.0 0 0 0
morse bond
O1 core H1 core 5.4246 2.2682 0.95 0 0 0
spring
O1 60.1 0
print
1
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