/usr/share/gdis/models/calcite_0-14_0.5000.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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name calcite_0-14_0.5000
svectors
4.980183 0.000000
4.980185 -24.270660
sfractional region 1
Ca core 0.166667 0.833333 -1.516832 2.00000000 1.00000 0.00000
O core 0.330679 0.916667 -1.516831 1.01848700 1.00000 0.00000
O shel 0.330096 0.916667 -1.516831 -2.1330000 1.00000 0.00000
C core 0.583333 0.916667 -1.516831 1.34353899 1.00000 0.00000
O core 0.741574 0.884753 -2.283299 1.01848700 1.00000 0.00000
O shel 0.741939 0.884679 -2.285069 -2.1330000 1.00000 0.00000
O core 0.677747 0.948580 -0.750363 1.01848700 1.00000 0.00000
O shel 0.677965 0.948654 -0.748593 -2.1330000 1.00000 0.00000
Ca core 0.333333 0.666667 -1.516831 2.00000000 1.00000 0.00000
O core -0.011080 0.384753 -2.283299 1.01848700 1.00000 0.00000
O shel -0.011298 0.384679 -2.285069 -2.1330000 1.00000 0.00000
C core 0.083333 0.416667 -1.516831 1.34353899 1.00000 0.00000
O core -0.074907 0.448580 -0.750363 1.01848700 1.00000 0.00000
O shel -0.075273 0.448654 -0.748593 -2.1330000 1.00000 0.00000
O core 0.335987 0.416667 -1.516831 1.01848700 1.00000 0.00000
O shel 0.336571 0.416667 -1.516831 -2.1330000 1.00000 0.00000
C core 0.750000 0.750000 -1.516831 1.34353899 1.00000 0.00000
O core 1.002654 0.750000 -1.516831 1.01848700 1.00000 0.00000
O shel 1.003237 0.750000 -1.516831 -2.1330000 1.00000 0.00000
O core 0.655586 0.718086 -2.283299 1.01848700 1.00000 0.00000
O shel 0.655368 0.718013 -2.285069 -2.1330000 1.00000 0.00000
O core 0.591759 0.781914 -0.750363 1.01848700 1.00000 0.00000
O shel 0.591394 0.781987 -0.748593 -2.1330000 1.00000 0.00000
C core 0.916667 0.583333 -1.516832 1.34353899 1.00000 0.00000
O core 0.664013 0.583333 -1.516832 1.01848700 1.00000 0.00000
O shel 0.663429 0.583333 -1.516832 -2.1330000 1.00000 0.00000
O core 1.074907 0.551420 -2.283299 1.01848700 1.00000 0.00000
O shel 1.075272 0.551346 -2.285069 -2.1330000 1.00000 0.00000
O core 1.011080 0.615247 -0.750364 1.01848700 1.00000 0.00000
O shel 1.011298 0.615321 -0.748594 -2.1330000 1.00000 0.00000
Ca core 0.666667 0.333333 -1.516831 2.00000000 1.00000 0.00000
Ca core 0.500000 0.500000 -1.516831 2.00000000 1.00000 0.00000
Ca core 0.833333 0.166667 -1.516832 2.00000000 1.00000 0.00000
C core 0.250000 0.250000 -1.516831 1.34353899 1.00000 0.00000
O core -0.002654 0.250000 -1.516831 1.01848700 1.00000 0.00000
O shel -0.003237 0.250000 -1.516831 -2.1330000 1.00000 0.00000
O core 0.344413 0.281913 -0.750364 1.01848700 1.00000 0.00000
O shel 0.344631 0.281987 -0.748593 -2.1330000 1.00000 0.00000
O core 0.408241 0.218086 -2.283299 1.01848700 1.00000 0.00000
O shel 0.408606 0.218013 -2.285069 -2.1330000 1.00000 0.00000
C core 0.416667 0.083333 -1.516831 1.34353899 1.00000 0.00000
O core 0.669321 0.083333 -1.516831 1.01848700 1.00000 0.00000
O shel 0.669904 0.083333 -1.516831 -2.1330000 1.00000 0.00000
O core 0.258426 0.115247 -0.750363 1.01848700 1.00000 0.00000
O shel 0.258061 0.115321 -0.748593 -2.1330000 1.00000 0.00000
O core 0.322253 0.051420 -2.283299 1.01848700 1.00000 0.00000
O shel 0.322035 0.051346 -2.285069 -2.1330000 1.00000 0.00000
Ca core 0.000000 0.000000 -1.516833 2.00000000 1.00000 0.00000
sfractional region 2
C core 0.042980 0.957020 -4.550495 1.34353899 1.00000 0.00000
O core 0.295634 0.957020 -4.550495 1.01848700 1.00000 0.00000
O shel 0.296217 0.957020 -4.550495 -2.1330000 1.00000 0.00000
O core -0.115261 0.988934 -3.784027 1.01848700 1.00000 0.00000
O shel -0.115626 0.989007 -3.782257 -2.1330000 1.00000 0.00000
O core -0.051434 0.925107 -5.316963 1.01848700 1.00000 0.00000
O shel -0.051652 0.925033 -5.318733 -2.1330000 1.00000 0.00000
O core -0.043008 0.790354 -4.550496 1.01848700 1.00000 0.00000
O shel -0.043591 0.790354 -4.550496 -2.1330000 1.00000 0.00000
C core 0.209646 0.790354 -4.550496 1.34353899 1.00000 0.00000
O core 0.367887 0.758440 -5.316964 1.01848700 1.00000 0.00000
O shel 0.368252 0.758366 -5.318735 -2.1330000 1.00000 0.00000
O core 0.304060 0.822267 -3.784029 1.01848700 1.00000 0.00000
O shel 0.304278 0.822341 -3.782258 -2.1330000 1.00000 0.00000
Ca core 0.626313 0.873687 -4.550496 2.00000000 1.00000 0.00000
Ca core 0.792980 0.707020 -4.550497 2.00000000 1.00000 0.00000
C core 0.376313 0.623687 -4.550497 1.34353899 1.00000 0.00000
O core 0.628967 0.623687 -4.550497 1.01848700 1.00000 0.00000
O shel 0.629551 0.623687 -4.550497 -2.1330000 1.00000 0.00000
O core 0.281900 0.591773 -5.316964 1.01848700 1.00000 0.00000
O shel 0.281682 0.591700 -5.318734 -2.1330000 1.00000 0.00000
O core 0.218073 0.655600 -3.784029 1.01848700 1.00000 0.00000
O shel 0.217707 0.655674 -3.782259 -2.1330000 1.00000 0.00000
C core 0.542980 0.457020 -4.550498 1.34353899 1.00000 0.00000
O core 0.290326 0.457020 -4.550498 1.01848700 1.00000 0.00000
O shel 0.289742 0.457020 -4.550498 -2.1330000 1.00000 0.00000
O core 0.701220 0.425107 -5.316965 1.01848700 1.00000 0.00000
O shel 0.701586 0.425033 -5.318735 -2.1330000 1.00000 0.00000
O core 0.637393 0.488934 -3.784030 1.01848700 1.00000 0.00000
O shel 0.637611 0.489007 -3.782260 -2.1330000 1.00000 0.00000
Ca core 0.959647 0.540353 -4.550497 2.00000000 1.00000 0.00000
Ca core 0.292980 0.207020 -4.550497 2.00000000 1.00000 0.00000
O core 0.615233 0.258440 -5.316965 1.01848700 1.00000 0.00000
O shel 0.615015 0.258366 -5.318735 -2.1330000 1.00000 0.00000
C core 0.709647 0.290353 -4.550497 1.34353899 1.00000 0.00000
O core 0.551406 0.322267 -3.784029 1.01848700 1.00000 0.00000
O shel 0.551040 0.322341 -3.782259 -2.1330000 1.00000 0.00000
O core 0.962300 0.290353 -4.550497 1.01848700 1.00000 0.00000
O shel 0.962884 0.290353 -4.550497 -2.1330000 1.00000 0.00000
Ca core 0.126313 0.373687 -4.550497 2.00000000 1.00000 0.00000
Ca core 0.459646 0.040354 -4.550498 2.00000000 1.00000 0.00000
C core 0.876313 0.123687 -4.550497 1.34353899 1.00000 0.00000
O core 0.623659 0.123687 -4.550497 1.01848700 1.00000 0.00000
O shel 0.623076 0.123687 -4.550497 -2.1330000 1.00000 0.00000
O core 0.970727 0.155600 -3.784030 1.01848700 1.00000 0.00000
O shel 0.970945 0.155674 -3.782259 -2.1330000 1.00000 0.00000
O core 1.034554 0.091773 -5.316965 1.01848700 1.00000 0.00000
O shel 1.034919 0.091700 -5.318735 -2.1330000 1.00000 0.00000
dhkl 3.033666
sbulkenergy -255.760757
elements
covalent 25 0.0000
covalent 26 0.0000
covalent 27 0.0000
covalent 28 0.0000
covalent 30 0.0000
covalent 48 0.0000
end
species
Cd core 2.000000
Mn core 2.000000
Mg core 2.000000
Zn core 2.000000
Ni core 2.000000
Co core 2.000000
Fe core 2.000000
Ca core 2.000000
C core 1.343539
O core 1.018487
O shel -2.133000
end
buck intra
O core O core 4030.30000 0.245497 0.0000000 0.000 2.500
buck
Ca core O shel 2154.06000 0.289118 0.0000000 0.000 10.000
buck inter
O shel O shel 64727.5050 0.198914 21.84357 0.000 15.000
buck
Cd core O shel 4329.81000 0.256300 0.0000000 0.000 10.000
buck
Mg core O shel 1039.58460 0.289329 0.0000000 0.000 10.000
buck
Co core O shel 1095.59850 0.286300 0.0000000 0.000 10.000
buck
Fe core O shel 2152.98610 0.265068 0.0000000 0.000 10.000
buck
Mn core O shel 2000.93570 0.272681 0.0000000 0.000 10.000
buck
Ni core O shel 1634.46190 0.266612 0.0000000 0.000 10.000
buck
Zn core O shel 1029.39000 0.289100 0.0000000 0.000 10.000
morse intra bond
C core O core 5.0000000 2.5228 1.19820 0.0000
spring
O 52.739130 10000.000
three bond intra
C core O core O core 1.7765 120.00
outofplane bond intra
C cor O cor O cor O cor 8.8279
dump calcite_0-14_0.5000.res
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