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abinit/tests/tutomultibinit/Input/tmulti5_2.xml

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<?xml version="1.0" ?>
<System_definition>
<unit_cell units="bohrradius">1.04078e+01 8.68703e-07 1.20607e-06 9.71370e-07 1.04709e+01 -2.76120e-06 1.59322e-06 -3.43283e-06 1.47173e+01</unit_cell>
<atom damping_factor="1.00000" gyroratio="1.00000e+00" index_spin="0" mass="1.38905e+02" massunits="atomicmassunit">
<position units="bohrradius">1.03301e+01 3.60668e-01 3.67933e+00</position>
<spinat>0.00000e+00 0.00000e+00 0.00000e+00</spinat>
</atom>
<atom damping_factor="1.00000" gyroratio="1.00000e+00" index_spin="0" mass="1.38905e+02" massunits="atomicmassunit">
<position units="bohrradius">7.76052e-02 1.01103e+01 1.10380e+01</position>
<spinat>0.00000e+00 0.00000e+00 0.00000e+00</spinat>
</atom>
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</atom>
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<position units="bohrradius">5.28148e+00 5.59614e+00 3.67933e+00</position>
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</atom>
<atom damping_factor="1.00000" gyroratio="1.00000e+00" index_spin="1" mass="5.58450e+01" massunits="atomicmassunit">
<position units="bohrradius">5.20388e+00 1.04709e+01 4.46056e-06</position>
<spinat>0.00000e+00 0.00000e+00 4.13049e+00</spinat>
</atom>
<atom damping_factor="1.00000" gyroratio="1.00000e+00" index_spin="2" mass="5.58450e+01" massunits="atomicmassunit">
<position units="bohrradius">1.04077e+01 5.23546e+00 7.28430e-06</position>
<spinat>0.00000e+00 0.00000e+00 -4.13036e+00</spinat>
</atom>
<atom damping_factor="1.00000" gyroratio="1.00000e+00" index_spin="3" mass="5.58450e+01" massunits="atomicmassunit">
<position units="bohrradius">5.20387e+00 5.47763e-07 7.35866e+00</position>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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</atom>
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<spin_exchange_term>
<ijR>2 4 1 1 0</ijR>
<data>-2.07944e-05 -2.07944e-05 -2.07944e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 1 -1 -1 0</ijR>
<data>-4.87186e-05 -4.87186e-05 -4.87186e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 1 -1 -1 1</ijR>
<data>-4.92243e-05 -4.92243e-05 -4.92243e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 1 -1 0 0</ijR>
<data>-2.86131e-05 -2.86131e-05 -2.86131e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 1 -1 0 1</ijR>
<data>-2.85038e-05 -2.85038e-05 -2.85038e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 1 0 -1 -1</ijR>
<data>-1.41365e-05 -1.41365e-05 -1.41365e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 1 0 -1 0</ijR>
<data>-2.26769e-02 -2.26769e-02 -2.26769e-02</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 1 0 -1 1</ijR>
<data>-2.26901e-02 -2.26901e-02 -2.26901e-02</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 1 0 0 0</ijR>
<data>-2.04885e-05 -2.04885e-05 -2.04885e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 1 0 0 1</ijR>
<data>-2.35419e-05 -2.35419e-05 -2.35419e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 1 1 -1 0</ijR>
<data>-4.89859e-05 -4.89859e-05 -4.89859e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 1 1 -1 1</ijR>
<data>-4.86773e-05 -4.86773e-05 -4.86773e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 1 1 0 0</ijR>
<data>-2.43531e-05 -2.43531e-05 -2.43531e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 1 1 0 1</ijR>
<data>-2.39835e-05 -2.39835e-05 -2.39835e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 2 -1 -1 0</ijR>
<data>5.35191e-05 5.35191e-05 5.35191e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 2 -1 0 0</ijR>
<data>4.69897e-05 4.69897e-05 4.69897e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 2 0 -1 1</ijR>
<data>5.36582e-05 5.36582e-05 5.36582e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 2 0 0 1</ijR>
<data>4.64908e-05 4.64908e-05 4.64908e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 3 -1 -1 0</ijR>
<data>5.33769e-04 5.33769e-04 5.33769e-04</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 3 -1 0 0</ijR>
<data>2.62926e-04 2.62926e-04 2.62926e-04</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 3 -1 1 0</ijR>
<data>5.27231e-04 5.27231e-04 5.27231e-04</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 3 0 -1 0</ijR>
<data>-2.34551e-05 -2.34551e-05 -2.34551e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 3 0 0 -1</ijR>
<data>4.79667e-04 4.79667e-04 4.79667e-04</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 3 0 0 1</ijR>
<data>4.79668e-04 4.79668e-04 4.79668e-04</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 3 0 1 0</ijR>
<data>-2.34586e-05 -2.34586e-05 -2.34586e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 3 1 -1 0</ijR>
<data>5.27227e-04 5.27227e-04 5.27227e-04</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 3 1 0 0</ijR>
<data>2.62929e-04 2.62929e-04 2.62929e-04</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 3 1 1 0</ijR>
<data>5.33770e-04 5.33770e-04 5.33770e-04</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 -1 -1 0</ijR>
<data>-3.03301e-05 -3.03301e-05 -3.03301e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 -1 0 0</ijR>
<data>-3.01021e-05 -3.01021e-05 -3.01021e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 -1 1 0</ijR>
<data>-1.70199e-05 -1.70199e-05 -1.70199e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 0 -1 -1</ijR>
<data>-3.44115e-05 -3.44115e-05 -3.44115e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 0 -1 0</ijR>
<data>-2.31719e-02 -2.31719e-02 -2.31719e-02</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 0 -1 1</ijR>
<data>-2.85905e-05 -2.85905e-05 -2.85905e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 0 0 -1</ijR>
<data>-2.91638e-05 -2.91638e-05 -2.91638e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 0 0 0</ijR>
<data>-2.31154e-02 -2.31154e-02 -2.31154e-02</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 0 0 1</ijR>
<data>-3.45495e-05 -3.45495e-05 -3.45495e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 0 1 0</ijR>
<data>-3.23038e-05 -3.23038e-05 -3.23038e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 1 -1 -1</ijR>
<data>-3.46019e-05 -3.46019e-05 -3.46019e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 1 -1 0</ijR>
<data>-2.31575e-02 -2.31575e-02 -2.31575e-02</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 1 -1 1</ijR>
<data>-2.90184e-05 -2.90184e-05 -2.90184e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 1 0 -1</ijR>
<data>-2.86103e-05 -2.86103e-05 -2.86103e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 1 0 0</ijR>
<data>-2.31785e-02 -2.31785e-02 -2.31785e-02</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 1 0 1</ijR>
<data>-3.44415e-05 -3.44415e-05 -3.44415e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>3 4 1 1 0</ijR>
<data>-3.27423e-05 -3.27423e-05 -3.27423e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 1 -1 -1 1</ijR>
<data>3.92717e-05 3.92717e-05 3.92717e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 1 -1 0 1</ijR>
<data>3.75600e-05 3.75600e-05 3.75600e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 1 0 -1 0</ijR>
<data>3.88877e-05 3.88877e-05 3.88877e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 1 0 0 0</ijR>
<data>3.94763e-05 3.94763e-05 3.94763e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 2 -1 -1 0</ijR>
<data>-2.07915e-05 -2.07915e-05 -2.07915e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 2 -1 -1 1</ijR>
<data>-2.41299e-05 -2.41299e-05 -2.41299e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 2 -1 0 -1</ijR>
<data>-1.41342e-05 -1.41342e-05 -1.41342e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 2 -1 0 0</ijR>
<data>-2.26840e-02 -2.26840e-02 -2.26840e-02</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 2 -1 0 1</ijR>
<data>-2.26723e-02 -2.26723e-02 -2.26723e-02</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 2 -1 1 0</ijR>
<data>-2.38276e-05 -2.38276e-05 -2.38276e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 2 -1 1 1</ijR>
<data>-2.06870e-05 -2.06870e-05 -2.06870e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 2 0 -1 0</ijR>
<data>-2.43247e-05 -2.43247e-05 -2.43247e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 2 0 -1 1</ijR>
<data>-2.42751e-05 -2.42751e-05 -2.42751e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 2 0 0 0</ijR>
<data>-4.91645e-05 -4.91645e-05 -4.91645e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 2 0 0 1</ijR>
<data>-4.86878e-05 -4.86878e-05 -4.86878e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 2 0 1 0</ijR>
<data>-2.84507e-05 -2.84507e-05 -2.84507e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 2 0 1 1</ijR>
<data>-2.85926e-05 -2.85926e-05 -2.85926e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 -1 -1 0</ijR>
<data>-3.27419e-05 -3.27419e-05 -3.27419e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 -1 0 -1</ijR>
<data>-3.44406e-05 -3.44406e-05 -3.44406e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 -1 0 0</ijR>
<data>-2.31784e-02 -2.31784e-02 -2.31784e-02</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 -1 0 1</ijR>
<data>-2.86088e-05 -2.86088e-05 -2.86088e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 -1 1 -1</ijR>
<data>-2.90172e-05 -2.90172e-05 -2.90172e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 -1 1 0</ijR>
<data>-2.31576e-02 -2.31576e-02 -2.31576e-02</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 -1 1 1</ijR>
<data>-3.46000e-05 -3.46000e-05 -3.46000e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 0 -1 0</ijR>
<data>-3.23009e-05 -3.23009e-05 -3.23009e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 0 0 -1</ijR>
<data>-3.45484e-05 -3.45484e-05 -3.45484e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 0 0 0</ijR>
<data>-2.31154e-02 -2.31154e-02 -2.31154e-02</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 0 0 1</ijR>
<data>-2.91614e-05 -2.91614e-05 -2.91614e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 0 1 -1</ijR>
<data>-2.85886e-05 -2.85886e-05 -2.85886e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 0 1 0</ijR>
<data>-2.31718e-02 -2.31718e-02 -2.31718e-02</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 0 1 1</ijR>
<data>-3.44114e-05 -3.44114e-05 -3.44114e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 1 -1 0</ijR>
<data>-1.70189e-05 -1.70189e-05 -1.70189e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 1 0 0</ijR>
<data>-3.00996e-05 -3.00996e-05 -3.00996e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 3 1 1 0</ijR>
<data>-3.03301e-05 -3.03301e-05 -3.03301e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 4 -1 -1 0</ijR>
<data>5.33137e-04 5.33137e-04 5.33137e-04</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 4 -1 0 0</ijR>
<data>2.57930e-04 2.57930e-04 2.57930e-04</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 4 -1 1 0</ijR>
<data>5.39795e-04 5.39795e-04 5.39795e-04</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 4 0 -1 0</ijR>
<data>-1.92090e-05 -1.92090e-05 -1.92090e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 4 0 0 -1</ijR>
<data>4.77713e-04 4.77713e-04 4.77713e-04</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 4 0 0 1</ijR>
<data>4.77714e-04 4.77714e-04 4.77714e-04</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 4 0 1 0</ijR>
<data>-1.92122e-05 -1.92122e-05 -1.92122e-05</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 4 1 -1 0</ijR>
<data>5.39793e-04 5.39793e-04 5.39793e-04</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 4 1 0 0</ijR>
<data>2.57934e-04 2.57934e-04 2.57934e-04</data>
</spin_exchange_term>
<spin_exchange_term>
<ijR>4 4 1 1 0</ijR>
<data>5.33138e-04 5.33138e-04 5.33138e-04</data>
</spin_exchange_term>
</spin_exchange_list>
</System_definition>
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