epc_ml_data / 4_epw /tmp /save /diamond.phsave /patterns.1.xml
Koulb's picture
Add files using upload-large-folder tool
db31a41 verified
<?xml version="1.0" encoding="UTF-8"?>
<Root>
<IRREPS_INFO>
<QPOINT_NUMBER>1</QPOINT_NUMBER>
<QPOINT_GROUP_RANK>48</QPOINT_GROUP_RANK>
<MINUS_Q_SYM>true</MINUS_Q_SYM>
<NUMBER_IRR_REP>2</NUMBER_IRR_REP>
<REPRESENTION.1>
<NUMBER_OF_PERTURBATIONS>3</NUMBER_OF_PERTURBATIONS>
<PERTURBATION.1>
<DISPLACEMENT_PATTERN>
-0.142057288484608 0.000000000000000E+000
0.570829680022194 0.000000000000000E+000
-0.392394193629520 0.000000000000000E+000
0.142057288484608 0.000000000000000E+000
-0.570829680022194 0.000000000000000E+000
0.392394193629520 0.000000000000000E+000
</DISPLACEMENT_PATTERN>
</PERTURBATION.1>
<PERTURBATION.2>
<DISPLACEMENT_PATTERN>
-0.458000785183470 0.000000000000000E+000
-0.377910762575801 0.000000000000000E+000
-0.383951476492410 0.000000000000000E+000
0.458000785183470 0.000000000000000E+000
0.377910762575802 0.000000000000000E+000
0.383951476492410 0.000000000000000E+000
</DISPLACEMENT_PATTERN>
</PERTURBATION.2>
<PERTURBATION.3>
<DISPLACEMENT_PATTERN>
-0.519668170624030 0.000000000000000E+000
0.177022405178374 0.000000000000000E+000
0.445654642638375 0.000000000000000E+000
0.519668170624030 0.000000000000000E+000
-0.177022405178374 0.000000000000000E+000
-0.445654642638375 0.000000000000000E+000
</DISPLACEMENT_PATTERN>
</PERTURBATION.3>
</REPRESENTION.1>
<REPRESENTION.2>
<NUMBER_OF_PERTURBATIONS>3</NUMBER_OF_PERTURBATIONS>
<PERTURBATION.1>
<DISPLACEMENT_PATTERN>
-0.609959086522117 0.000000000000000E+000
-0.357626851599666 0.000000000000000E+000
7.276522796973058E-003 0.000000000000000E+000
-0.609959086522117 0.000000000000000E+000
-0.357626851599667 0.000000000000000E+000
7.276522796973106E-003 0.000000000000000E+000
</DISPLACEMENT_PATTERN>
</PERTURBATION.1>
<PERTURBATION.2>
<DISPLACEMENT_PATTERN>
-6.527091776131377E-002 0.000000000000000E+000
9.713551306116909E-002 0.000000000000000E+000
-0.697355289215576 0.000000000000000E+000
-6.527091776131359E-002 0.000000000000000E+000
9.713551306116913E-002 0.000000000000000E+000
-0.697355289215576 0.000000000000000E+000
</DISPLACEMENT_PATTERN>
</PERTURBATION.2>
<PERTURBATION.3>
<DISPLACEMENT_PATTERN>
-0.351695351211387 0.000000000000000E+000
0.602219002620520 0.000000000000000E+000
0.116801767191451 0.000000000000000E+000
-0.351695351211386 0.000000000000000E+000
0.602219002620520 0.000000000000000E+000
0.116801767191451 0.000000000000000E+000
</DISPLACEMENT_PATTERN>
</PERTURBATION.3>
</REPRESENTION.2>
</IRREPS_INFO>
</Root>