mirror of https://gitlab.com/QEF/q-e.git
1305 lines
54 KiB
XML
1305 lines
54 KiB
XML
<?xml version="1.0"?>
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<?iotk version="1.2.0"?>
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<?iotk file_version="1.0"?>
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<?iotk binary="F"?>
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<?iotk qe_syntax="F"?>
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<Root>
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<GEOMETRY_INFO>
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<NUMBER_OF_TYPES type="integer" size="1">
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2
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</NUMBER_OF_TYPES>
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2
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2
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1
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1.050000000000000E+001
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0.000000000000000E+000
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0.000000000000000E+000
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0.000000000000000E+000
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</AT>
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</BG>
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2.894062500000000E+002
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Al
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2.698000000000000E+001
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As
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7.492000000000000E+001
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2.267314723955356E-001, 0.000000000000000E+000
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|
</PHI.2.2>
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</DYNAMICAL_MAT_.23>
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<DYNAMICAL_MAT_.24>
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<Q_POINT type="real" size="3" columns="3">
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-2.500000000000000E-001 -7.500000000000000E-001 7.500000000000000E-001
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</Q_POINT>
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<PHI.1.1 type="complex" size="9">
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2.761146283652133E-001,-0.000000000000000E+000
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1.029522377740531E-002,-1.350182656008081E-002
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-1.029522377740531E-002, 1.350182656008081E-002
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1.029522377740534E-002, 1.350182656008081E-002
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2.017226043125443E-001,-0.000000000000000E+000
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-8.361689600026409E-003,-0.000000000000000E+000
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-1.029522377740537E-002,-1.350182656008081E-002
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-8.361689600026437E-003,-0.000000000000000E+000
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2.017226043125443E-001,-0.000000000000000E+000
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</PHI.1.1>
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-6.131543713732023E-002, 6.095597664588304E-002
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4.728112380531362E-002,-3.454640652860225E-002
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-4.728112380531362E-002, 3.454640652860225E-002
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3.771119667816485E-002,-3.887175283692929E-002
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-4.953925620052133E-002, 5.021968700115148E-002
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-1.227385887663191E-001,-3.788150843870922E-002
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-3.771119667816485E-002, 3.887175283692929E-002
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-1.227385887663191E-001,-3.788150843870922E-002
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-4.953925620052132E-002, 5.021968700115148E-002
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</PHI.1.2>
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-6.131543713732022E-002,-6.095597664588304E-002
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3.771119667816485E-002, 3.887175283692929E-002
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-3.771119667816485E-002,-3.887175283692929E-002
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4.728112380531362E-002, 3.454640652860225E-002
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-4.953925620052134E-002,-5.021968700115148E-002
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-1.227385887663191E-001, 3.788150843870922E-002
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-4.728112380531362E-002,-3.454640652860225E-002
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-1.227385887663191E-001, 3.788150843870922E-002
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-4.953925620052134E-002,-5.021968700115148E-002
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</PHI.2.1>
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<PHI.2.2 type="complex" size="9">
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2.573717207023488E-001,-0.000000000000000E+000
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9.672237107323373E-003,-1.147922226353071E-002
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-9.672237107323373E-003, 1.147922226353071E-002
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9.672237107323373E-003, 1.147922226353071E-002
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2.267314723955356E-001,-0.000000000000000E+000
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-1.556239060225259E-002,-0.000000000000000E+000
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-9.672237107323373E-003,-1.147922226353071E-002
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-1.556239060225259E-002,-0.000000000000000E+000
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2.267314723955356E-001,-0.000000000000000E+000
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</PHI.2.2>
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</DYNAMICAL_MAT_.24>
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<FREQUENCIES_THZ_CMM1>
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<OMEGA.1 type="real" size="2" columns="2">
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2.620969809936281E+000 8.742614231930682E+001
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</OMEGA.1>
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<DISPLACEMENT.1 type="complex" size="6">
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3.520082660193934E-002,-4.915087358593870E-001
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5.845029435247735E-016,-1.765636315005691E-016
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-3.520082660193768E-002, 4.915087358593876E-001
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5.071292383411236E-001, 7.000276874224068E-017
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5.442166299545766E-016, 5.257619096239511E-016
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-5.071292383411218E-001, 0.000000000000000E+000
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</DISPLACEMENT.1>
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<OMEGA.2 type="real" size="2" columns="2">
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3.804495952546342E+000 1.269043250096152E+002
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</OMEGA.2>
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<DISPLACEMENT.2 type="complex" size="6">
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-3.753293923423685E-001,-1.703847232104579E-001
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-3.313854554951938E-001, 1.583449925156780E-001
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-3.753293923423686E-001,-1.703847232104556E-001
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-4.229182154137456E-001,-1.444551967155369E-016
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-2.885307138361943E-001,-2.904044132377150E-001
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-4.229182154137476E-001, 0.000000000000000E+000
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</DISPLACEMENT.2>
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<OMEGA.3 type="real" size="2" columns="2">
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5.902946158034395E+000 1.969010894208151E+002
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</OMEGA.3>
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<DISPLACEMENT.3 type="complex" size="6">
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8.338948170624466E-002,-1.943858002008337E-001
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1.646083904477690E-001, 1.506006621990527E-001
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8.338948170624452E-002,-1.943858002008336E-001
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-3.767296562800720E-001, 8.209686481514671E-017
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4.704642857224136E-001, 5.962861028058506E-001
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-3.767296562800720E-001, 0.000000000000000E+000
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</DISPLACEMENT.3>
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<OMEGA.4 type="real" size="2" columns="2">
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1.056899393747329E+001 3.525436899908032E+002
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</OMEGA.4>
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<DISPLACEMENT.4 type="complex" size="6">
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-4.767749928491504E-002, 6.657203726334435E-001
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1.658183908069792E-016, 6.149060081137745E-015
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4.767749928485664E-002,-6.657203726335149E-001
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2.335449454017084E-001, 3.053033084368629E-015
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-2.987209434753104E-015, 1.131302335274812E-014
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-2.335449454016847E-001, 0.000000000000000E+000
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</DISPLACEMENT.4>
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<OMEGA.5 type="real" size="2" columns="2">
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|
1.058874292942470E+001 3.532024454539379E+002
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</OMEGA.5>
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<DISPLACEMENT.5 type="complex" size="6">
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-4.860187603341045E-001,-4.633009093221555E-001
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|
1.212104479919114E-002, 8.700249105543170E-002
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-4.860187603340999E-001,-4.633009093220666E-001
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1.756008729807710E-001, 3.963661734385667E-015
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-2.006869874058712E-002, 1.687768497749959E-001
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1.756008729808019E-001, 0.000000000000000E+000
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</DISPLACEMENT.5>
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<OMEGA.6 type="real" size="2" columns="2">
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|
1.147800258946687E+001 3.828649548437563E+002
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|
</OMEGA.6>
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<DISPLACEMENT.6 type="complex" size="6">
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5.644810253120271E-002, 5.678019888373457E-002
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|
-7.331424517463324E-001, 6.463192581709506E-001
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5.644810253120255E-002, 5.678019888373424E-002
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7.179105127669815E-002,-4.588630904329733E-017
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1.470783666022822E-001,-3.584330649775442E-003
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7.179105127669808E-002,-0.000000000000000E+000
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</DISPLACEMENT.6>
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|
</FREQUENCIES_THZ_CMM1>
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|
</Root>
|
|
|