/usr/share/gdis/models/caox.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.
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 82 83 84 85 86 87 88 89 90 91 92 | single conp molmec
switch_min rfo gnorm 0.100000
name caox
cell
6.290000 14.583000 10.116000 89.999999 109.460000 89.999999
fractional
Ca core 0.96760 0.12430 0.05460 2.00000000 1.00000 0.00000
Ca core 0.99680 0.12360 0.43570 2.00000000 1.00000 0.00000
C core 0.98320 0.32010 0.24520 0.60000000 1.00000 0.00000
C core 0.00090 0.42700 0.24920 0.60000000 1.00000 0.00000
C core 0.51890 0.12660 0.18120 0.60000000 1.00000 0.00000
C core 0.45050 0.11730 0.31310 0.60000000 1.00000 0.00000
O1 core 0.97560 0.28260 0.13220 -0.8000000 1.00000 0.00000
O1 core 0.00660 0.46590 0.13950 -0.8000000 1.00000 0.00000
O1 core 0.97990 0.28190 0.35500 -0.8000000 1.00000 0.00000
O1 core 0.00730 0.46580 0.36140 -0.8000000 1.00000 0.00000
O1 core 0.36140 0.14180 0.06900 -0.8000000 1.00000 0.00000
O1 core 0.72450 0.12270 0.19740 -0.8000000 1.00000 0.00000
O1 core 0.24380 0.12290 0.29570 -0.8000000 1.00000 0.00000
O1 core 0.60730 0.10680 0.42640 -0.8000000 1.00000 0.00000
O2 core 0.39320 0.34590 0.10220 -0.7642613 1.00000 0.00000
O2 core 0.59130 0.38290 0.39080 -0.7642613 1.00000 0.00000
H core 0.48960 0.37095 0.04605 0.38213015 1.00000 0.00000
H core 0.43072 0.28051 0.09538 0.38213015 1.00000 0.00000
H core 0.47646 0.37740 0.44116 0.38213015 1.00000 0.00000
H core 0.49268 0.37766 0.29118 0.38213015 1.00000 0.00000
space
P 1 21/c 1
elements
covalent 11 0.1000
covalent 19 0.1000
covalent 20 0.1000
end
species
Ca core 2.000000
Na core 1.000000
K core 1.000000
O1 core -0.800000
O2 core -0.764261
C core 0.600000
H core 0.382130
end
buck inter
C core C core 993.63011 0.240472 10.055 0.000 15.000 1 1 0
buck inter
C core O1 core 604.56823 0.278199 13.562 0.000 15.000 1 1 0
buck inter
C core O2 core 1130.7548 0.246409 18.637 0.000 15.000 1 1 0
buck inter
O1 core O1 core 5161.9633 0.222373 19.968 0.000 15.000 1 1 0
buck inter
O1 core O2 core 482.14605 0.370000 23.000 0.000 15.000 1 1 0
buck inter
O2 core O2 core 10520.550 0.261400 50.286 0.000 15.000 1 1 0
buck inter
O1 core Ca core 1976.9077 0.283009 .00000E+00 0.000 15.000 1 1 0
buck inter
O2 core Ca core 2652.6303 0.275265 .00000E+00 0.000 15.000 1 1 0
buck inter
O1 core Na core 2501.7615 0.248800 .00000E+00 0.000 15.000 0 0 0
buck inter
C core Na core 730.60340 0.306000 .00000E+00 0.000 15.000 0 0 0
buck inter
O1 core K core 1959.291 0.286601 14.000 0.000 15.000 0 0 0
buck inter
O2 core K core 12287.957 0.244061 25.000 0.000 15.000 0 0 0
buck inter
C core K core 6300.000 0.257758 0.000 0.000 15.000 0 0 0
harmonic molmec
H O2 23.71711 0.96 0 0
three molmec
O2 H H 2.45050 104.5 0 0
harmonic bond
C O1 52.721 1.27800 0 0
harmonic bond
C C 29.289 1.56400 0 0
three bond
C O1 O1 6.895 127.20 0 0
three bond
C C O1 12.042 116.80 0 0
torsion bond
O1 C C O1 0.020142 -2 0 0
torsion intra
C C O1 O1 0.296115 -2 0 1.80 1.60 2.40 3.00 0
print 1
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