/usr/share/gdis/models/calcite_0-14_0.5000.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.
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# Keywords:
#
single conv mole
#
# Options:
#
name calcite_0-14_0.5000
# Surface energy = 0.705842 J/m2
scell
4.980183 24.776343 78.404227
sfractional region 1
Ca core 1/6 5/6 -1.516832 2.00000000 1.00000 0.00000 %
O core 0.3306790 0.9166670 -1.516830 1.01848700 1.00000 0.00000 %
C core 0.5833329 0.9166670 -1.516830 1.34353899 1.00000 0.00000 %
O core 0.7415740 0.8847529 -2.283299 1.01848700 1.00000 0.00000 %
O core 0.6777470 0.9485800 -0.750363 1.01848700 1.00000 0.00000 %
Ca core 1/3 2/3 -1.516830 2.00000000 1.00000 0.00000 %
O core 0.9889200 0.3847530 -2.283299 1.01848700 1.00000 0.00000 %
C core 0.0833329 0.4166670 -1.516830 1.34353899 1.00000 0.00000 %
O core 0.9250930 0.4485800 -0.750363 1.01848700 1.00000 0.00000 %
O core 0.3359869 0.4166670 -1.516830 1.01848700 1.00000 0.00000 %
C core 0.7500000 0.7500000 -1.516830 1.34353899 1.00000 0.00000 %
O core 0.0026539 0.7500000 -1.516830 1.01848700 1.00000 0.00000 %
O core 0.6555859 0.7180859 -2.283299 1.01848700 1.00000 0.00000 %
O core 0.5917589 0.7819140 -0.750363 1.01848700 1.00000 0.00000 %
C core 0.9166670 0.5833329 -1.516832 1.34353899 1.00000 0.00000 %
O core 0.6640130 0.5833329 -1.516832 1.01848700 1.00000 0.00000 %
O core 0.0749069 0.5514200 -2.283299 1.01848700 1.00000 0.00000 %
O core 0.0110800 0.6152470 -0.750364 1.01848700 1.00000 0.00000 %
Ca core 2/3 1/3 -1.516830 2.00000000 1.00000 0.00000 %
Ca core 0.5000000 0.5000000 -1.516830 2.00000000 1.00000 0.00000 %
Ca core 5/6 1/6 -1.516832 2.00000000 1.00000 0.00000 %
C core 0.2500000 0.2500000 -1.516830 1.34353899 1.00000 0.00000 %
O core 0.9973460 0.2500000 -1.516830 1.01848700 1.00000 0.00000 %
O core 0.3444129 0.2819129 -0.750364 1.01848700 1.00000 0.00000 %
O core 0.4082410 0.2180859 -2.283299 1.01848700 1.00000 0.00000 %
C core 0.4166670 0.0833329 -1.516830 1.34353899 1.00000 0.00000 %
O core 0.6693210 0.0833329 -1.516830 1.01848700 1.00000 0.00000 %
O core 0.2584260 0.1152470 -0.750363 1.01848700 1.00000 0.00000 %
O core 0.3222530 0.0514200 -2.283299 1.01848700 1.00000 0.00000 %
Ca core 0.0000000 0.0000000 -1.516832 2.00000000 1.00000 0.00000 %
O shel 0.3300959 0.9166670 -1.516830 -2.1330000 1.00000 0.00000 %
O shel 0.7419390 0.8846790 -2.285069 -2.1330000 1.00000 0.00000 %
O shel 0.6779650 0.9486539 -0.748593 -2.1330000 1.00000 0.00000 %
O shel 0.9887020 0.3846790 -2.285069 -2.1330000 1.00000 0.00000 %
O shel 0.9247270 0.4486539 -0.748593 -2.1330000 1.00000 0.00000 %
O shel 0.3365709 0.4166670 -1.516830 -2.1330000 1.00000 0.00000 %
O shel 0.0032370 0.7500000 -1.516830 -2.1330000 1.00000 0.00000 %
O shel 0.6553679 0.7180129 -2.285069 -2.1330000 1.00000 0.00000 %
O shel 0.5913939 0.7819870 -0.748593 -2.1330000 1.00000 0.00000 %
O shel 0.6634290 0.5833329 -1.516832 -2.1330000 1.00000 0.00000 %
O shel 0.0752720 0.5513460 -2.285069 -2.1330000 1.00000 0.00000 %
O shel 0.0112980 0.6153209 -0.748594 -2.1330000 1.00000 0.00000 %
O shel 0.9967629 0.2500000 -1.516830 -2.1330000 1.00000 0.00000 %
O shel 0.3446309 0.2819870 -0.748593 -2.1330000 1.00000 0.00000 %
O shel 0.4086060 0.2180130 -2.285069 -2.1330000 1.00000 0.00000 %
O shel 0.6699040 0.0833329 -1.516830 -2.1330000 1.00000 0.00000 %
O shel 0.2580609 0.1153209 -0.748593 -2.1330000 1.00000 0.00000 %
O shel 0.3220349 0.0513460 -2.285069 -2.1330000 1.00000 0.00000 %
sfractional region 2
C core 0.0429800 0.9570200 -4.550494 1.34353899 1.00000 0.00000
O core 0.2956339 0.9570200 -4.550494 1.01848700 1.00000 0.00000
O core 0.8847389 0.9889340 -3.784027 1.01848700 1.00000 0.00000
O core 0.9485659 0.9251070 -5.316963 1.01848700 1.00000 0.00000
O core 0.9569919 0.7903540 -4.550495 1.01848700 1.00000 0.00000
C core 0.2096459 0.7903540 -4.550495 1.34353899 1.00000 0.00000
O core 0.3678869 0.7584400 -5.316963 1.01848700 1.00000 0.00000
O core 0.3040600 0.8222670 -3.784029 1.01848700 1.00000 0.00000
Ca core 0.6263129 0.8736870 -4.550495 2.00000000 1.00000 0.00000
Ca core 0.7929800 0.7070200 -4.550497 2.00000000 1.00000 0.00000
C core 0.3763129 0.6236870 -4.550497 1.34353899 1.00000 0.00000
O core 0.6289669 0.6236870 -4.550497 1.01848700 1.00000 0.00000
O core 0.2819000 0.5917730 -5.316963 1.01848700 1.00000 0.00000
O core 0.2180730 0.6556000 -3.784029 1.01848700 1.00000 0.00000
C core 0.5429800 0.4570200 -4.550498 1.34353899 1.00000 0.00000
O core 0.2903260 0.4570200 -4.550498 1.01848700 1.00000 0.00000
O core 0.7012200 0.4251070 -5.316964 1.01848700 1.00000 0.00000
O core 0.6373929 0.4889340 -3.784030 1.01848700 1.00000 0.00000
Ca core 0.9596470 0.5403529 -4.550497 2.00000000 1.00000 0.00000
Ca core 0.2929800 0.2070200 -4.550497 2.00000000 1.00000 0.00000
O core 0.6152330 0.2584400 -5.316964 1.01848700 1.00000 0.00000
C core 0.7096470 0.2903529 -4.550497 1.34353899 1.00000 0.00000
O core 0.5514060 0.3222670 -3.784029 1.01848700 1.00000 0.00000
O core 0.9623000 0.2903529 -4.550497 1.01848700 1.00000 0.00000
Ca core 0.1263129 0.3736870 -4.550497 2.00000000 1.00000 0.00000
Ca core 0.4596459 0.0403540 -4.550498 2.00000000 1.00000 0.00000
C core 0.8763129 0.1236870 -4.550497 1.34353899 1.00000 0.00000
O core 0.6236590 0.1236870 -4.550497 1.01848700 1.00000 0.00000
O core 0.9707270 0.1556000 -3.784030 1.01848700 1.00000 0.00000
O core 0.0345540 0.0917729 -5.316964 1.01848700 1.00000 0.00000
O shel 0.2962170 0.9570200 -4.550494 -2.1330000 1.00000 0.00000
O shel 0.8843739 0.9890070 -3.782257 -2.1330000 1.00000 0.00000
O shel 0.9483479 0.9250329 -5.318733 -2.1330000 1.00000 0.00000
O shel 0.9564090 0.7903540 -4.550495 -2.1330000 1.00000 0.00000
O shel 0.3682520 0.7583660 -5.318734 -2.1330000 1.00000 0.00000
O shel 0.3042780 0.8223409 -3.782257 -2.1330000 1.00000 0.00000
O shel 0.6295509 0.6236870 -4.550497 -2.1330000 1.00000 0.00000
O shel 0.2816820 0.5917000 -5.318733 -2.1330000 1.00000 0.00000
O shel 0.2177070 0.6556739 -3.782258 -2.1330000 1.00000 0.00000
O shel 0.2897420 0.4570200 -4.550498 -2.1330000 1.00000 0.00000
O shel 0.7015860 0.4250329 -5.318734 -2.1330000 1.00000 0.00000
O shel 0.6376109 0.4890070 -3.782260 -2.1330000 1.00000 0.00000
O shel 0.6150149 0.2583660 -5.318734 -2.1330000 1.00000 0.00000
O shel 0.5510400 0.3223409 -3.782258 -2.1330000 1.00000 0.00000
O shel 0.9628840 0.2903529 -4.550497 -2.1330000 1.00000 0.00000
O shel 0.6230759 0.1236870 -4.550497 -2.1330000 1.00000 0.00000
O shel 0.9709450 0.1556739 -3.782258 -2.1330000 1.00000 0.00000
O shel 0.0349190 0.0917000 -5.318734 -2.1330000 1.00000 0.00000
sbulkenergy -255.76075700
species 11
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
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
element
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
dump calcite_0-14_0.5000.res
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