108 Lattice="11.243986947291848 0.0 0.0 0.0 11.243986947291848 0.0 0.0 0.0 11.243986947291848" Properties=species:S:1:pos:R:3:forces:R:3 energy=-260.7357238035993 stress="-0.004377988209072987 0.00026724992462112717 -0.0007348940721731188 0.00026724992462112717 -0.003971954206064196 0.00046063246808960467 -0.0007348940721731188 0.00046063246808960467 -0.004373677597366934" pbc="F F F" Fe 0.01496837 0.01756837 0.02121384 -0.40334510 -0.26986958 -0.27443122 Fe 1.85116454 1.86453688 0.00219803 0.77595559 0.67909640 -0.54871830 Fe 1.85392965 0.01197232 1.86314210 0.70547620 -0.68993331 0.62603252 Fe 0.00612439 1.88938790 1.90106454 -0.76705894 0.44454531 0.34852864 Fe 3.71727098 0.01227430 0.01573939 0.18300158 -0.44227014 -0.37611501 Fe 5.58968548 1.88620546 0.02616360 0.25133433 0.41560837 -0.53749816 Fe 5.62370097 0.00752721 1.89900552 -0.24981925 -0.52088948 0.36384262 Fe 3.74655791 1.87557509 1.85633377 -0.10463024 0.80533035 0.94796181 Fe 7.51286052 0.00687417 0.03679070 -0.69440291 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