16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-37.400217051505365 stress="9.585560005002887e-05 3.5616337878455946e-05 2.1201395872779547e-05 3.5616337878455946e-05 0.0001111803950968286 8.182300369286362e-05 2.1201395872779547e-05 8.182300369286362e-05 8.37234819890261e-05" pbc="F F F" Fe 20.77696427 20.91661558 20.96512192 1.28394126 1.33598577 0.89737495 Fe 22.72586561 22.79391194 22.22614529 -4.57462235 -4.72722088 2.54129358 Fe 24.02103145 20.77761356 21.18220204 -0.67637154 1.30467606 0.74753492 Fe 25.39362841 22.92117662 22.48185114 0.90293933 -1.01545556 1.25092182 Fe 20.77538150 23.70296332 20.84887301 1.30579781 -0.63990045 0.87668057 Fe 22.72083292 25.28984966 22.48735431 -2.93831125 2.74348362 -1.82218653 Fe 23.92299150 23.90698366 21.18107110 2.33971164 2.58998745 -4.42109957 Fe 25.40153258 25.63102478 22.59995250 -0.53272221 -0.63017334 0.83069841 Fe 21.26120756 21.01193751 24.25226748 1.09925016 1.26243585 -0.91940396 Fe 22.46431997 22.74386224 25.70197342 1.10022308 -0.59840665 -0.59335687 Fe 24.20379337 21.11280455 23.76922180 -0.99981009 1.25845089 0.20909325 Fe 25.28229695 22.52031036 25.68745344 -0.96851410 1.13307352 -1.29597657 Fe 21.02015752 23.87970777 24.27711528 -0.91685456 -1.47817301 -1.85919536 Fe 22.37871118 25.25213077 25.23125112 1.40233382 1.45884352 1.18294374 Fe 23.71824351 24.13616082 23.76429260 3.40653866 -2.54515076 3.92921700 Fe 25.62968218 25.71980528 25.79977655 -1.23352967 -1.45245604 -1.55453935