16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-36.35563923014094 stress="10.956155630213981 7.068596840774125 2.012909117879768 7.068596840774125 4.8842705848928 4.412471783413752 2.012909117879768 4.412471783413752 -0.5176437681451826" pbc="F F F" Fe -0.02335587 0.24122900 0.28113183 -0.11452330 1.36737411 0.02707797 C 1.31634348 1.42534241 1.48566276 -0.28595672 0.32580924 -2.19837997 C 2.81443107 0.04376171 -0.08929145 0.81593150 -0.95176243 -0.33436706 C 4.69273990 1.30722932 1.26172667 0.54093042 -0.79082135 1.00570360 C 0.25209918 2.99317787 0.23110688 1.79526562 1.48786100 -0.90520403 Fe 1.49816022 4.51283276 1.83321597 0.44110069 -2.16053470 -0.77593146 Fe 2.82858036 3.14720807 0.08942344 -2.34763272 1.24764576 2.28667738 C 4.55737576 4.77559981 1.21321713 -0.91106168 -0.87298001 -0.73908632 C 0.21736445 -0.21395222 3.20384132 -1.03115903 0.31405325 1.44930952 Fe 1.29224623 1.23214964 4.50041025 1.16269632 0.36276958 -0.24214470 Fe 3.25551247 -0.14555376 3.04631461 1.07671102 0.64296960 0.44309229 C 4.56482696 1.34620060 4.51821382 -0.69337650 -1.73268861 0.06354553 Fe -0.29424575 2.96963223 3.15586213 0.95434760 -1.28234792 0.82069339 Fe 1.40395547 4.33226600 4.08481470 0.02038546 0.03463590 1.26042065 C 3.12036030 2.95631248 3.24843919 0.32315335 1.46803747 -1.42359699 Fe 4.64432661 4.26023492 4.74849743 -1.74681203 0.53997911 -0.73780981