mirror of https://github.com/abinit/abinit.git
1990 lines
71 KiB
XML
1990 lines
71 KiB
XML
<?xml version="1.0" ?>
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<Heff_definition>
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<coefficient number="1" value=" -0.4278388107E+00" text="(Hf_y-O1_y)^2(eta_2)^1">
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<term weight=" 1.000000">
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<displacement_diff atom_a="1" 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=" 2"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="1" 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 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="1" 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=" 1"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="1" atom_b="3" 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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<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="1" 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=" 3"/>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="1" 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 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=" -0.3327646441E-02" text="(Hf_x-O1_x)^2(Hf_z-O1_z)^1(Hf_y-O3_y)^1">
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<term weight=" 1.000000">
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<displacement_diff atom_a="1" 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="1" 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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<displacement_diff atom_a="1" atom_b="4" direction="y" 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="1" 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 1 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="1" 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 1 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="1" atom_b="4" direction="y" 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="1" atom_b="2" direction="x" 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="1" atom_b="2" direction="z" power="1">
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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="1" atom_b="4" direction="y" 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="1" atom_b="2" direction="x" power="2">
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</displacement_diff>
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<displacement_diff atom_a="1" 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 1 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="1" atom_b="4" direction="y" power="1">
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<cell_a>0 0 0</cell_a>
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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="1" atom_b="3" 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="1" atom_b="3" direction="z" power="1">
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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="1" atom_b="4" direction="x" power="1">
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<cell_a>0 0 0</cell_a>
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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="1" atom_b="3" direction="y" power="2">
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</displacement_diff>
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<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
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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="1" atom_b="4" direction="x" power="1">
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<cell_a>0 0 0</cell_a>
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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="1" atom_b="3" 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="1" atom_b="3" direction="z" power="1">
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</displacement_diff>
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<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
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<cell_a>0 0 0</cell_a>
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</displacement_diff>
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<term weight="-1.000000">
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<displacement_diff atom_a="1" atom_b="3" 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="1" atom_b="3" direction="z" power="1">
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</term>
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<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
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</displacement_diff>
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<cell_a>0 0 0</cell_a>
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<term weight="-1.000000">
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<displacement_diff atom_a="1" atom_b="4" direction="y" power="2">
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<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
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<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
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<cell_a>0 0 0</cell_a>
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<term weight=" 1.000000">
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<cell_a>0 0 0</cell_a>
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<cell_a>0 0 0</cell_a>
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</term>
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<term weight=" 1.000000">
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<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
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<displacement_diff atom_a="1" atom_b="4" direction="y" power="1">
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<displacement_diff atom_a="1" atom_b="2" direction="z" power="1">
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<cell_a>0 0 0</cell_a>
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</term>
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<term weight="-1.000000">
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<displacement_diff atom_a="1" atom_b="4" direction="x" power="2">
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</displacement_diff>
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<displacement_diff atom_a="1" atom_b="4" direction="y" power="1">
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</displacement_diff>
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<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
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<cell_a>0 0 0</cell_a>
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</displacement_diff>
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<term weight=" 1.000000">
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<displacement_diff atom_a="1" atom_b="3" direction="z" power="2">
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<cell_a>0 0 0</cell_a>
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<displacement_diff atom_a="1" atom_b="3" direction="y" power="1">
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<term weight="-1.000000">
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<displacement_diff atom_a="1" atom_b="2" direction="z" power="2">
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<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
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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="1" atom_b="3" direction="y" 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="1" 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 1 0</cell_b>
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</displacement_diff>
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<displacement_diff atom_a="1" atom_b="2" direction="x" 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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<displacement_diff atom_a="1" atom_b="3" direction="y" power="1">
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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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</coefficient>
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<coefficient number="3" value=" -0.1187863788E+00" text="(Hf_y-O1_y)^2(Hf_y-O1_y[0 1 0])^1">
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<term weight=" 1.000000">
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<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="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="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="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="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="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="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="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="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="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="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="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="4" value=" -0.1803561080E-01" text="(Hf_x-O1_x)^1(Hf_y-O2_y)^1(eta_1)^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="y" power="1">
|
|
<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="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="y" 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="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="y" 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="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="y" power="1">
|
|
<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="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="x" power="1">
|
|
<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="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="x" 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="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="x" power="1">
|
|
<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="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="x" 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="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="z" power="1">
|
|
<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="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="z" 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="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="z" power="1">
|
|
<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="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="z" 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="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="z" power="1">
|
|
<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="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="z" 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="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="z" 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="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="z" power="1">
|
|
<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="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="x" power="1">
|
|
<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="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="x" 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="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="x" power="1">
|
|
<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="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="x" 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="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="y" power="1">
|
|
<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="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="y" 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="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="y" 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="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="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 3"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="5" value=" -0.1601915587E-01" text="(Hf_x-O1_x)^2(eta_3)^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=" 3"/>
|
|
</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=" 3"/>
|
|
</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=" 3"/>
|
|
</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=" 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 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 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</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=" 2"/>
|
|
</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=" 2"/>
|
|
</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=" 2"/>
|
|
</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=" 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 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 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 1"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="6" value=" 0.1964781166E-02" text="(Hf_x-O1_x)^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>
|
|
</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>
|
|
</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>
|
|
</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>
|
|
</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>
|
|
</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>
|
|
</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>
|
|
</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>
|
|
</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>
|
|
</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>
|
|
</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>
|
|
</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>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="7" value=" -0.1414534096E-01" text="(Hf_x-O1_x)^2(Hf_y-O1_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="2" 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="2" 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="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="3" 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="3" 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="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="4" 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="4" 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="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="4" 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="4" 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="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="3" 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="3" 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="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="2" 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="2" direction="y" power="2">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="8" value=" 0.2587457595E-02" text="(Hf_x-O1_x)^2(Hf_z-O3_z)^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>
|
|
<displacement_diff atom_a="1" atom_b="4" 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="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="4" 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="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="4" 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="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="4" 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="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="4" 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="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="4" 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="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="4" 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="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="4" 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="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="3" 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="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="3" 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="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="3" 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="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="3" 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="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="2" 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="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="2" 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="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="2" 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="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="2" 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="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="2" 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="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="2" 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="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="2" 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="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="2" 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="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="3" 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="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="3" 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="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="3" 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="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="3" direction="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="9" value=" 0.5017929917E-02" text="(Hf_x-O1_x)^1(Hf_z-O2_z)^1(eta_4)^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="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 4"/>
|
|
</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="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 4"/>
|
|
</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="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 4"/>
|
|
</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="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 4"/>
|
|
</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="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 5"/>
|
|
</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="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 5"/>
|
|
</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="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 5"/>
|
|
</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="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 5"/>
|
|
</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="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 5"/>
|
|
</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="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 5"/>
|
|
</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="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 5"/>
|
|
</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="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 1 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 5"/>
|
|
</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="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 4"/>
|
|
</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="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 4"/>
|
|
</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="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>1 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 4"/>
|
|
</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="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 4"/>
|
|
</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="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 6"/>
|
|
</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="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 6"/>
|
|
</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="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 6"/>
|
|
</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="y" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 6"/>
|
|
</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="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 6"/>
|
|
</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="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 6"/>
|
|
</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="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 1</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 6"/>
|
|
</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="x" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
<strain power=" 1" voigt=" 6"/>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="10" value=" 0.3534582000E-01" text="(Hf_y-O1_y)^3(Hf_y-O1_y[0 1 0])^1">
|
|
<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>
|
|
<displacement_diff atom_a="1" atom_b="2" 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="1" atom_b="2" direction="y" 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="2" 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="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="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="1" atom_b="3" direction="x" 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="3" 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="4" 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="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="1" atom_b="4" direction="z" 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="4" direction="z" power="1">
|
|
<cell_a>0 0 0</cell_a>
|
|
<cell_b>0 0 0</cell_b>
|
|
</displacement_diff>
|
|
</term>
|
|
</coefficient>
|
|
<coefficient number="11" value=" -0.8641828993E-01" text="(Hf_y-O1_y)^2(eta_1)^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=" 1"/>
|
|
</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=" 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>0 0 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>
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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="1" 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="1" 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 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="1" 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="1" 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 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="1" 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="1" atom_b="3" 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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<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="1" 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="1" 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 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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</coefficient>
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<coefficient number="12" value=" -0.3014720033E-02" text="(Hf_x-O1_x)^1(Hf_x-O2_x)^1(Hf_y-O2_y)^1">
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<term weight=" 1.000000">
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<displacement_diff atom_a="1" atom_b="2" 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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<displacement_diff atom_a="1" atom_b="3" 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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<displacement_diff atom_a="1" atom_b="3" direction="y" 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="1" atom_b="2" direction="x" 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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<displacement_diff atom_a="1" atom_b="3" direction="x" 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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<displacement_diff atom_a="1" atom_b="3" direction="y" 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="1" atom_b="2" direction="x" power="1">
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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="1" atom_b="3" direction="x" power="1">
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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="1" atom_b="3" direction="y" 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="1" atom_b="2" direction="x" power="1">
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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="1" atom_b="3" direction="x" power="1">
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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="1" atom_b="3" direction="y" 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="1" atom_b="3" direction="y" power="1">
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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="1" atom_b="2" direction="y" 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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<displacement_diff atom_a="1" atom_b="2" 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="1" atom_b="3" direction="y" power="1">
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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="1" atom_b="2" direction="y" power="1">
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<cell_a>0 0 0</cell_a>
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<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
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<cell_a>0 0 0</cell_a>
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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="1" atom_b="3" direction="y" power="1">
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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="1" atom_b="2" direction="y" power="1">
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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="1" atom_b="2" direction="x" power="1">
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<cell_a>0 0 0</cell_a>
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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="1" atom_b="3" direction="y" power="1">
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<cell_a>0 0 0</cell_a>
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<displacement_diff atom_a="1" atom_b="2" direction="y" power="1">
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<cell_a>0 0 0</cell_a>
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<displacement_diff atom_a="1" atom_b="2" direction="x" power="1">
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<cell_a>0 0 0</cell_a>
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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="1" atom_b="4" direction="y" power="1">
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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="1" atom_b="2" direction="y" power="1">
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<cell_a>0 0 0</cell_a>
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</displacement_diff>
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<cell_a>0 0 0</cell_a>
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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="1" atom_b="4" direction="y" power="1">
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<cell_a>0 0 0</cell_a>
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<displacement_diff atom_a="1" atom_b="2" direction="y" power="1">
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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="1" atom_b="2" direction="z" power="1">
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<cell_a>0 0 0</cell_a>
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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="1" atom_b="4" direction="y" power="1">
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<cell_a>0 0 0</cell_a>
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<displacement_diff atom_a="1" atom_b="2" direction="y" power="1">
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<cell_a>0 0 0</cell_a>
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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="1" atom_b="4" direction="y" power="1">
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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="1" atom_b="4" direction="x" power="1">
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</term>
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<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
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</displacement_diff>
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</term>
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<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
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</term>
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<displacement_diff atom_a="1" atom_b="4" direction="x" power="1">
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</term>
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<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
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</term>
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<displacement_diff atom_a="1" atom_b="3" direction="z" power="1">
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</term>
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</term>
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</term>
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<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>
|
|
</Heff_definition>
|