/usr/share/gdis/models/calc2d.xtl 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 | TITLE caco3-5116 from Cerius2
DIMENSION 2
CELL
12.51664 15.34671 78.82407
SYMMETRY LABEL P1
SYM MAT 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 0.0000 0.0000
0.0000
ATOMS
NAME X Y Z CHARGE TEMP OCCUP SCAT
CA 0.01428 -0.02268 -0.19534 2.0000 0.0000 1.0000 CA2+
CA 0.51820 -0.01772 -0.32523 2.0000 0.0000 1.0000 CA2+
CA 0.34431 0.79267 -0.95245 2.0000 0.0000 1.0000 CA2+
CA 0.84723 0.79213 -0.98844 2.0000 0.0000 1.0000 CA2+
CA 0.18437 0.59435 -1.56634 2.0000 0.0000 1.0000 CA2+
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