4000 Lattice="36.7539753737774 0.0 0.0 0.0 36.7539753737774 0.0 0.0 0.0 36.7539753737774" Properties=species:S:1:pos:R:3:forces:R:3 energy=-13598.847421627002 stress="-0.003536453664086122 -8.751275781923226e-05 -0.00011474905770511217 -8.751275781923226e-05 -0.003532383202297787 0.00014657127593939264 -0.00011474905770511217 0.00014657127593939264 -0.0035765000731368974" pbc="F F F" Fe 0.02660816 0.01342928 0.01151899 -0.64461163 -0.64389537 -0.54571447 Fe 1.82032212 1.81391377 0.01758345 0.81086577 0.81844996 -1.36614549 Fe 1.86585908 0.01242790 1.81325788 0.11574311 -1.18582300 1.14315497 Fe 0.00717340 1.83191194 1.83309758 -1.13240661 0.37594510 0.93242284 Fe 3.67020590 0.01631440 0.03026445 0.18423999 -0.83784450 -1.03059309 Fe 5.52383962 1.82222457 0.01594725 -0.23873083 0.68974632 -0.92943724 Fe 5.48279530 0.03363067 1.85578603 0.31951686 -0.97196126 0.32927690 Fe 3.63596377 1.82980659 1.83609594 0.34745445 1.34072682 0.98230517 Fe 7.40291475 0.01376729 0.01216743 -0.31851173 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