/usr/share/gdis/models/calcite_rhomb.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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# Keywords:
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mole opti conp comp prop phon
#
# Options:
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name calcite_rhomb_gale
cell
6.375112 6.375112 6.375112 45.995223 45.995223 45.995223
fractional
Ca core 0.0000000 0.0000000 0.0000000 2.00000000 1.00000 0.00000
C core 0.2500000 0.2500000 0.2500000 1.34353898 1.00000 0.00000
O core 0.5026015 0.9973984 0.2500000 1.01848700 1.00000 0.00000
O shel 0.5032031 0.9967968 0.2500000 -2.1330000 1.00000 0.00000
space
R -3 C
totalenergy -85.2510065520 eV
species 4
Ca core 2.000000
C core 1.343539
O core 1.018487
O shel -2.133000
buck intra
O core O core 4030.30000 0.245497 0.0000000 0.00 2.50
buck
Ca core O shel 2154.06000 0.289118 0.0000000 0.00 10.00
buck
C core Ca core 120000000. 0.120000 0.0000000 0.00 10.00
buck inter
O shel O shel 64242.4540 0.198913 21.84357 0.00 15.00
morse intra bond
C core O core 5.0000000 2.5228 1.19820 0.0000
spring
O 52.740087
three bond intra
C core O core O core 1.7995 120.00
outofplane bond intra
C cor O cor O cor O cor 8.6892 360.00
element
covalent 20 0.0000
end
dump calcite_rhomb_gale.res
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