32 Lattice="7.080894895975144 0.0 0.0 0.0 7.080894895975144 0.0 0.0 0.0 7.080894895975144" Properties=species:S:1:pos:R:3:forces:R:3 energy=-97.94730035801177 stress="0.1496283745801794 0.2205124816628733 -0.3264557015055334 0.2205124816628733 0.6235123167917136 -0.5190866655348758 -0.3264557015055334 -0.5190866655348758 0.16646901855771246" pbc="F F F" Fe -0.03377385 -0.02453812 0.01388793 0.41064442 0.37626647 0.40692039 Fe 1.76339319 1.77059406 0.02268586 -0.16074143 -0.11788950 -0.39991436 Fe 1.78408443 -0.02037742 1.78767695 -0.04653931 -0.23303474 -0.25029037 Fe 0.01302813 1.77649521 1.77031580 -0.48198038 -0.25333773 -0.17512823 Fe 3.53892367 0.00706358 -0.03111139 0.11853993 0.18875677 0.20735223 Fe 5.33470491 1.81067824 -0.01651800 -0.00103968 -0.20624453 0.13193436 Fe 5.32999826 0.03055261 1.78744292 -0.23303338 0.15584557 -0.07528098 Fe 3.53881040 1.79341104 1.74055313 0.08735870 -0.44519071 0.28159709 Fe -0.03168823 3.53368786 0.00130378 0.17580652 0.09109298 0.10925105 Fe 1.78033032 5.32185123 0.00479051 -0.10550069 -0.20864010 0.03075210 Fe 1.76122701 3.55697127 1.77434340 -0.03284000 0.15700656 -0.19208730 Fe -0.02068939 5.31611881 1.76727488 0.11712405 -0.09271512 -0.02988937 Fe 3.58960785 3.52104893 0.03434746 -0.26155644 0.32692355 -0.57557027 Fe 5.32937649 5.31152053 0.01205254 -0.30258945 -0.32517079 0.38849406 Fe 5.29602015 3.54424130 1.80499569 0.52158853 0.05959005 -0.19642296 Fe 3.51357222 5.30536119 1.76532502 0.17866755 0.35215649 -0.03371819 Fe 0.01518327 -0.02196130 3.52558285 0.08659017 0.13866229 0.09110046 Fe 1.74277406 1.80303154 3.51076252 0.12233320 -0.51245449 0.28248492 Fe 1.78049971 -0.00312605 5.32858754 -0.15386654 0.08013354 -0.14891875 Fe -0.01634264 1.73306258 5.33848652 0.19475125 0.06152998 -0.24102161 Fe 3.53750235 0.00440648 3.57267656 0.07540628 -0.23225085 -0.22222729 Fe 5.30955048 1.79244299 3.55191532 0.35378252 -0.30699018 -0.07558118 Fe 5.33400369 0.00875214 5.28478599 -0.24129467 0.28516225 -0.22481540 Fe 3.52111159 1.75437942 5.29092276 0.08432350 0.03274671 0.50171886 Fe 0.00647496 3.53464650 3.53092817 -0.52046823 0.27085538 0.23749178 Fe 1.75702020 5.34512183 3.53941536 -0.06889285 0.22468961 0.13684315 Fe 1.74958338 3.55196454 5.28171876 -0.10422965 0.11614965 0.46195193 Fe -0.02507316 5.34206029 5.32250072 0.34564977 -0.37032208 -0.39672198 Fe 3.53042258 3.51447996 3.55645365 -0.07020762 0.34744914 -0.12964279 Fe 5.28537731 5.31020467 3.49248618 0.00482340 0.00559428 0.15657035 Fe 5.31862086 3.51337751 5.27911991 -0.03045464 0.15852232 0.03630463 Fe 3.56512427 5.31275383 5.29660466 -0.06215483 -0.12489276 -0.09353632