#
SYMMETRY_OPS (.cell)

## Keyword type

Block

## Description

This data block contains the symmetry operations under which the unit cell is invariant. Each operation is represented by a 3 × 3 array.
The data block has the following format:

%BLOCK SYMMETRY_OPS
R11 R21 R31
R12 R22 R32
R13 R23 R33
T1 T2 T3
R11 R21 R31
R12 R22 R32
R13 R23 R33
T1 T2 T3
.
.
.
%ENDBLOCK SYMMETRY_OPS

Each of the first three lines contains 3 entries representing a row of a 3 × 3 array. These represent one symmetry rotation. The three
entries on the following line contain the translation associated with this rotation.

If no symmetry is specified in the cell definition file, the default is for no symmetry to
be applied.

## Example

%BLOCK SYMMETRY_OPS
.
.
.
-1.0000000000 0.0000000000 0.0000000000
0.0000000000 -1.0000000000 0.0000000000
0.0000000000 0.0000000000 1.0000000000
0.5000000000 0.0000000000 0.5000000000
.
.
.
%ENDBLOCK SYMMETRY_OPS

###### See Also:

CASTEP keyword glossary

CASTEP cell keywords and data blocks

Accelrys Materials Studio 8.0 Help: Wednesday, December 17, 2014