/usr/share/gdis/models/liox.gin is in gdis-data 0.90-4.
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 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 | opti conp molmec bond torsion comp
cell
3.400 5.156 9.055 90.000 95.600 90.000
frac
Li -0.05670 -0.01344 0.29179
O 0.13313 0.23698 0.13379
O 0.23847 0.22028 -0.10649
C 0.10582 0.13418 0.00738
space
P 1 21/n 1
species
Li 1
O -0.81548
C 0.63096
#observables
#weights 2
#4 20
#25 25
#end
#variables
#charge 2
#C O
#end
print
1
element
cova Li 0.1
end
lennard 9 6 x13
C C 1070.4224 24.8673 15 0 0
lennard 9 6 x13
C O 855.6238 22.4938 15 0 0
lennard 9 6 x13
O O 702.3115 20.2177 15 0 0
lennard 9 6
C Li 107.5272 5.6610 15 1 1
lennard 9 6
O Li 82.4289 4.4508 15 0 0
lennard 9 6
Li Li 4.1141 0.6930 15 0 0
morse molmec
C O 159.9105 0.2008 1.23 0 0 0
morse molmec
C C 268.8586 0.2384 1.54 0 0 0
three-body molmec
C O O 14.7920 123.000000 0 0
three-body molmec
C C O 4.9180 120.000000 0 0
torsion molmec
O C C O 0.05091 +2 180 0
torsion molmec
C C O O 0.18864 +2 180 1.80 1.60 2.40 3.00 0
#harmonic molmec
#C O 46.8331 1.25 0 0
#harmonic molmec kcal
#C C 532.8 1.50 0 0
#three-body molmec
#C O O 12.5756 123.0 0 0
#three-body molmec kcal
#C O C 136.0 120.0 0 0
#torsion molmec kcal
#O C C O 0.45 +2 180 0
#torsion intra kcal
#C C O O 5.0 +2 180 1.8 1.6 2.4 3.0 0
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