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abinit/tests/paral/Refs/t96_MPI1_sys.xml

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<?xml version="1.0" ?>
<System_definition>
<energy>
-0.17145176622000E+02
</energy>
<unit_cell units="bohrradius">
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</unit_cell>
<epsilon_inf units="epsilon0">
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</epsilon_inf>
<elastic units="hartree">
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</elastic>
<atom mass=" 26.98154" massunits="atomicmassunit">
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</position>
<borncharge units="abs(e)">
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</borncharge>
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</position>
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</borncharge>
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<correction_force units="hartree/bohrradius">
0.82747177406720E-12 0.10388739979082E+00 -0.21979948224866E-11
-0.58011088370555E-12 0.10388739979083E+00 -0.18363171519248E-11
-0.27075625434951E-11 -0.10388739979082E+00 0.20521610430506E-11
0.24602016531334E-11 -0.10388739979082E+00 0.19821509313607E-11
</correction_force>
</strain_coupling>
<strain_coupling voigt=" 4">
<strain>
0.0000E+00 0.0000E+00 0.5000E+00 0.0000E+00 0.0000E+00 0.0000E+00
0.5000E+00 0.0000E+00 0.0000E+00
</strain>
<correction_force units="hartree/bohrradius">
0.10388405405418E+00 0.97822398935547E-13 -0.20733901704358E-10
0.10388405405456E+00 0.12833462003188E-12 0.21414864949403E-10
-0.10388405405705E+00 -0.12237509198928E-12 -0.59755647347487E-07
-0.10388405405169E+00 -0.10378192697814E-12 0.59754966384242E-07
</correction_force>
</strain_coupling>
<strain_coupling voigt=" 5">
<strain>
0.0000E+00 0.5000E+00 0.0000E+00 0.5000E+00 0.0000E+00 0.0000E+00
0.0000E+00 0.0000E+00 0.0000E+00
</strain>
<correction_force units="hartree/bohrradius">
0.11014547119971E-08 0.12832015540112E+00 0.45061341141689E-08
-0.11026536050929E-08 -0.12832015540124E+00 0.45061740404986E-08
0.98844776707455E-09 0.13997362065135E+00 -0.45060948044206E-08
-0.98724887397874E-09 -0.13997362065123E+00 -0.45062133502468E-08
</correction_force>
</strain_coupling>
</System_definition>
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