/usr/share/xcrysden/examples/FHI98MD_files/GaAsSurface_coord.out is in xcrysden-data 1.5.60-1.
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 | 10.440000 0.000000 0.000000
0.000000 7.382195 0.000000
0.000000 0.000000 36.910974
4
6
Gallium
0.572886 0.000000 -0.588605 T
4.995704 3.691097 -3.511200 T
-0.097908 0.000000 -7.335397 T
5.220000 3.691097 -11.073292 F
0.000000 0.000000 -14.764390 F
5.220000 3.691097 -18.455487 F
6
Arsenic
2.789929 3.691097 0.635750 T
7.650782 7.382195 -3.599016 T
2.546813 3.691097 -7.339348 T
7.830000 7.382195 -11.073292 F
2.610000 3.691097 -14.764390 F
7.830000 7.382195 -18.455487 F
1
hy_1.25
3.463177 3.691097 -20.800517 F
1
hy_0.75
9.607680 7.382195 -20.835167 F
|