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<DIV><FONT face=Arial size=2>Hello. </FONT></DIV>
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<DIV><FONT face=Arial size=2>I have a unit cell (slab with vacuum) that is
spacegroup 157 p31m. All the atoms when viewed look ok, but when I look at the
forces on the atoms from within analyse it apears that a number of the z
positions are locked due to symmetry (forces show 0.0000). How can this be true?
If I look at the space group all z positions should be free. What could the
possible reasons for this be. </FONT></DIV>
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<DIV><FONT face=Arial size=2>Michael</FONT></DIV></BODY></HTML>