/usr/share/gdis/models/sio2.res 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.
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 | #
# Keywords:
#
opti conp prop compare dist angle phonon inten
#
# Options:
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title
alpha quartz
end
cell
4.940911 4.940911 5.448922 90.000000 90.000000 120.000000
fractional 2
Si core 0.4647780 0.4647780 0.0000000 2.39999999 1.00000 0.00000
O core 0.1553033 0.4268321 0.1248693 -1.1999999 1.00000 0.00000
space
P 32 2 1
totalenergy -175.0161148629 eV
species 2
Si core 2.400000
O core -1.200000
buck
O core O core 1388.7730 0.362319 175.00 0.000 10.000
buck
O core Si core 18003.757 0.205205 133.54 0.000 10.000
dump sio2.res
output movie arc quartz_opt.arc
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