mirror of https://github.com/abinit/abinit.git
9434 lines
329 KiB
XML
9434 lines
329 KiB
XML
<?xml version="1.0" ?>
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<Heff_definition>
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<coefficient number="1" value=" -0.2182170049E-01" text="(Ba_y-O1_y)^2(eta_1)^1">
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|
<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 1"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 -1</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 1"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 1"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 -1</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 1"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 2"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 -1</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 2"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 -1</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 2"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 2"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 2"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 -1 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 2"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 2"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 2"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 1"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 -1 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 1"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 1"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 1"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 3"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 -1</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 3"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 -1</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 3"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 3"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 3"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 -1</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 3"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 0</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 3"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 -1</cell_b>
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</displacement_diff>
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<strain power=" 1" voigt=" 3"/>
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</term>
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</coefficient>
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<coefficient number="2" value=" 0.4139212622E-02" text="(Ba_x-O1_x)^2(Ba_z-O1_z)^2">
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 -1</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 -1</cell_b>
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</displacement_diff>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 0</cell_b>
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</displacement_diff>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 -1</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 -1</cell_b>
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</displacement_diff>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 -1</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 -1</cell_b>
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</displacement_diff>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 -1</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 -1</cell_b>
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</displacement_diff>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 0</cell_b>
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</displacement_diff>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 -1 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 -1 0</cell_b>
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</displacement_diff>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 0</cell_b>
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</displacement_diff>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 0</cell_b>
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</displacement_diff>
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</term>
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</coefficient>
|
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<coefficient number="3" value=" 0.3505101182E-02" text="(Ba_x-O1_x)^2(Ba_z-O1_z)^1">
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="2" direction="z" power="1">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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</term>
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<term weight="-1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 -1</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="2" direction="z" power="1">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 -1</cell_b>
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</displacement_diff>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="2" direction="z" power="1">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 0 0</cell_b>
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</displacement_diff>
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</term>
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<term weight="-1.000000">
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<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 -1</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="2" direction="z" power="1">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 -1</cell_b>
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</displacement_diff>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="3" direction="z" power="1">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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</term>
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<term weight="-1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 -1</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="3" direction="z" power="1">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 -1</cell_b>
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</displacement_diff>
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</term>
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<term weight="-1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 -1</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="3" direction="z" power="1">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 -1</cell_b>
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</displacement_diff>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="3" direction="z" power="1">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 -1 0</cell_b>
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</displacement_diff>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="4" direction="x" power="1">
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<cell_a>0 0 0</cell_a>
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<cell_b>0 0 0</cell_b>
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</displacement_diff>
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</term>
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<term weight="-1.000000">
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<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 -1 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="4" direction="x" power="1">
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<cell_a>0 0 0</cell_a>
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<cell_b>-1 -1 0</cell_b>
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</displacement_diff>
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</term>
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<term weight="-1.000000">
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<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
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<cell_a>0 0 0</cell_a>
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</displacement_diff>
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<displacement_diff atom_a="0" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="4" value=" -0.1470351369E-01" text="(Ba_x-O1_x)^1(Ba_x-O1_x[-1 0 0])^1(eta_1)^1">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="5" value=" -0.4190988071E+00" text="(Hf_y-O1_y)^2(eta_2)^1">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="6" value=" -0.3902524856E-01" text="(Hf_y-O1_y)^3">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="7" value=" -0.1486079905E-02" text="(Hf_x-O1_x)^3(Hf_y-O2_y)^1">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="8" value=" 0.8789823583E-02" text="(Hf_x-O1_x)^1(Hf_x-O2_x)^2(Hf_y-O2_y)^1">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="9" value=" 0.1303708693E-02" text="(Ba_x-O1_x)^3">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="10" value=" 0.1864826830E-02" text="(Ba_x-O1_x)^3(Ba_z-O1_z)^1">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight="-1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="3">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="11" value=" -0.7892177744E-02" text="(O1_x-O2_x)^2(eta_3)^1">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="12" value=" 0.2268226621E-01" text="(Hf_x-O1_x)^2(eta_2)^1">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 2"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="13" value=" 0.1298455630E-02" text="(Ba_y-O1_y)^6">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="14" value=" 0.9852779200E-03" text="(Ba_y-O1_y)^8">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="15" value=" 0.6199082187E+00" text="(Ba_y-O1_y)^4(eta_1)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="16" value=" 0.3705433789E+02" text="(Ba_y-O1_y)^2(eta_1)^4">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="17" value=" 0.6320312161E+00" text="(Ba_y-O1_y)^6(eta_1)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="18" value=" 0.1181828248E+06" text="(Ba_y-O1_y)^2(eta_1)^6">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="19" value=" 0.4540177000E-04" text="(Ba_x-O1_x)^6">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="20" value=" 0.7860540000E-05" text="(Ba_x-O1_x)^8">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="21" value=" 0.2856930000E-04" text="(Ba_x-O1_x)^4(Ba_z-O1_z)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="22" value=" 0.1883552000E-04" text="(Ba_x-O1_x)^6(Ba_z-O1_z)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="23" value=" 0.5260664000E-04" text="(Ba_x-O1_x)^4(Ba_z-O1_z)^4">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="24" value=" 0.5714367000E-04" text="(Ba_x-O1_x)^4(Ba_x-O1_x[-1 0 0])^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="25" value=" 0.5485516000E-04" text="(Ba_x-O1_x)^2(Ba_x-O1_x[-1 0 0])^4">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="26" value=" 0.3992885000E-04" text="(Ba_x-O1_x)^6(Ba_x-O1_x[-1 0 0])^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="27" value=" 0.4786250000E-04" text="(Ba_x-O1_x)^2(Ba_x-O1_x[-1 0 0])^6">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="28" value=" 0.6323138000E-04" text="(Ba_x-O1_x)^4(Ba_x-O1_x[-1 0 0])^4">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="29" value=" 0.1709399135E+00" text="(Ba_x-O1_x)^2(Ba_x-O1_x[-1 0 0])^2(eta_1)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="30" value=" 0.1179761070E+00" text="(Ba_x-O1_x)^4(Ba_x-O1_x[-1 0 0])^2(eta_1)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="31" value=" 0.3020958542E+00" text="(Ba_x-O1_x)^2(Ba_x-O1_x[-1 0 0])^4(eta_1)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="32" value=" 0.1691611856E+03" text="(Ba_x-O1_x)^2(Ba_x-O1_x[-1 0 0])^2(eta_1)^4">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="0" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="33" value=" 0.7190550835E-01" text="(Hf_y-O1_y)^6">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="34" value=" 0.3626842030E-02" text="(Hf_y-O1_y)^8">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="35" value=" 0.2057409989E+01" text="(Hf_y-O1_y)^4(eta_2)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="36" value=" 0.2447372225E+03" text="(Hf_y-O1_y)^2(eta_2)^4">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="37" value=" 0.5126409877E+02" text="(Hf_y-O1_y)^6(eta_2)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="38" value=" 0.8950707436E+06" text="(Hf_y-O1_y)^2(eta_2)^6">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="39" value=" 0.1763177000E-04" text="(Hf_x-O1_x)^6">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="40" value=" 0.1198942000E-04" text="(Hf_x-O1_x)^8">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="41" value=" 0.1601689000E-04" text="(Hf_x-O1_x)^4(Hf_y-O2_y)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="42" value=" 0.1244209000E-04" text="(Hf_x-O1_x)^6(Hf_y-O2_y)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="43" value=" 0.3260052000E-04" text="(Hf_x-O1_x)^4(Hf_y-O2_y)^4">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="44" value=" 0.3135535200E-03" text="(Hf_x-O1_x)^2(Hf_x-O2_x)^2(Hf_y-O2_y)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="45" value=" 0.5626350500E-03" text="(Hf_x-O1_x)^4(Hf_x-O2_x)^2(Hf_y-O2_y)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="46" value=" 0.3567384080E-02" text="(Hf_x-O1_x)^2(Hf_x-O2_x)^4(Hf_y-O2_y)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="47" value=" 0.2970225300E-03" text="(Hf_x-O1_x)^2(Hf_x-O2_x)^2(Hf_y-O2_y)^4">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="48" value=" 0.6081360000E-05" text="(O1_x-O2_x)^6">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="49" value=" 0.5180460000E-05" text="(O1_x-O2_x)^8">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="8">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="50" value=" 0.9456876430E-02" text="(O1_x-O2_x)^4(eta_3)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="51" value=" 0.6812764823E+01" text="(O1_x-O2_x)^2(eta_3)^4">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="52" value=" 0.1128552133E-01" text="(O1_x-O2_x)^6(eta_3)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="53" value=" 0.2592768087E+05" text="(O1_x-O2_x)^2(eta_3)^6">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="4" atom_b="3" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 -1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>-1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="3" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="2" atom_b="4" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 -1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="54" value=" 0.1525618704E-01" text="(Hf_x-O1_x)^4(eta_2)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="4">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="55" value=" 0.1037609004E+02" text="(Hf_x-O1_x)^2(eta_2)^4">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="56" value=" 0.2390536556E-01" text="(Hf_x-O1_x)^6(eta_2)^2">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="6">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="57" value=" 0.4044123394E+05" text="(Hf_x-O1_x)^2(eta_2)^6">
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="58" value=" 0.3906250000E+04" text="(eta_1)^6">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="59" value=" 0.1000000000E+07" text="(eta_1)^8">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 8" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 8" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 8" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="60" value=" 0.1000000000E+07" text="(eta_1)^6(eta_2)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="61" value=" 0.1000000000E+07" text="(eta_1)^6(eta_4)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="62" value=" 0.1000000000E+07" text="(eta_1)^6(eta_5)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="63" value=" 0.1953125000E+04" text="(eta_1)^4(eta_2)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="64" value=" 0.1000000000E+07" text="(eta_1)^4(eta_2)^4">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 4" voigt=" 2"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 4" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="65" value=" 0.1000000000E+07" text="(eta_1)^4(eta_2)^2(eta_3)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="66" value=" 0.1000000000E+07" text="(eta_1)^4(eta_2)^2(eta_4)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="67" value=" 0.1000000000E+07" text="(eta_1)^4(eta_2)^2(eta_5)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="68" value=" 0.1000000000E+07" text="(eta_1)^4(eta_2)^2(eta_6)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="69" value=" 0.1000000000E+07" text="(eta_1)^4(eta_4)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="70" value=" 0.1000000000E+07" text="(eta_1)^4(eta_4)^4">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 4" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="71" value=" 0.1000000000E+07" text="(eta_1)^4(eta_4)^2(eta_5)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="72" value=" 0.1000000000E+07" text="(eta_1)^4(eta_5)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="73" value=" 0.1000000000E+07" text="(eta_1)^4(eta_5)^4">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 4" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 4" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="74" value=" 0.1000000000E+07" text="(eta_1)^4(eta_5)^2(eta_6)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="75" value=" 0.7812500000E+04" text="(eta_1)^2(eta_2)^2(eta_3)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="76" value=" 0.1000000000E+07" text="(eta_1)^2(eta_2)^2(eta_3)^2(eta_4)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="77" value=" 0.1000000000E+07" text="(eta_1)^2(eta_2)^2(eta_4)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="78" value=" 0.1000000000E+07" text="(eta_1)^2(eta_2)^2(eta_4)^4">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 4" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 4" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="79" value=" 0.1000000000E+07" text="(eta_1)^2(eta_2)^2(eta_4)^2(eta_5)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="80" value=" 0.1000000000E+07" text="(eta_1)^2(eta_2)^2(eta_4)^2(eta_6)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="81" value=" 0.1000000000E+07" text="(eta_1)^2(eta_2)^2(eta_6)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="82" value=" 0.1000000000E+07" text="(eta_1)^2(eta_2)^2(eta_6)^4">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 4" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="83" value=" 0.1000000000E+07" text="(eta_1)^2(eta_4)^4">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 4" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="84" value=" 0.1000000000E+07" text="(eta_1)^2(eta_4)^6">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 6" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 6" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 6" voigt=" 6"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="85" value=" 0.1000000000E+07" text="(eta_1)^2(eta_4)^4(eta_5)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 4" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 4" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="86" value=" 0.1000000000E+07" text="(eta_1)^2(eta_4)^2(eta_5)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="87" value=" 0.1000000000E+07" text="(eta_1)^2(eta_4)^2(eta_5)^4">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
<strain power=" 4" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
<strain power=" 4" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="88" value=" 0.1000000000E+07" text="(eta_1)^2(eta_4)^2(eta_5)^2(eta_6)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="89" value=" 0.1000000000E+07" text="(eta_1)^2(eta_5)^4">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 4" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 4" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="90" value=" 0.1000000000E+07" text="(eta_1)^2(eta_5)^6">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 6" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 6" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 6" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 6" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 6" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 6" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="91" value=" 0.1000000000E+07" text="(eta_1)^2(eta_5)^4(eta_6)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 4" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 4" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="92" value=" 0.1000000000E+07" text="(eta_1)^2(eta_5)^2(eta_6)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 1"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 2"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 3"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="93" value=" 0.1000000000E+07" text="(eta_4)^6">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 6"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="94" value=" 0.1000000000E+07" text="(eta_4)^8">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 8" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 8" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 8" voigt=" 6"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="95" value=" 0.1000000000E+07" text="(eta_4)^6(eta_5)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 6" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="96" value=" 0.1000000000E+07" text="(eta_4)^4(eta_5)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="97" value=" 0.1000000000E+07" text="(eta_4)^4(eta_5)^4">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 4"/>
|
|
<strain power=" 4" voigt=" 5"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 5"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 4"/>
|
|
<strain power=" 4" voigt=" 6"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="98" value=" 0.1000000000E+07" text="(eta_4)^4(eta_5)^2(eta_6)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
<term weight=" 1.000000">
|
|
<strain power=" 4" voigt=" 6"/>
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="99" value=" 0.1000000000E+07" text="(eta_4)^2(eta_5)^2(eta_6)^2">
|
|
<term weight=" 1.000000">
|
|
<strain power=" 2" voigt=" 4"/>
|
|
<strain power=" 2" voigt=" 5"/>
|
|
<strain power=" 2" voigt=" 6"/>
|
|
</term>
|
|
</coefficient>
|
|
</Heff_definition>
|