108 Lattice="11.243985950995164 0.0 0.0 0.0 11.243985950995164 0.0 0.0 0.0 11.243985950995164" Properties=species:S:1:pos:R:3:forces:R:3 energy=-260.98351153373926 stress="-2.430310836851339 -1.0256220430783058 0.7287064730533608 -1.0256220430783058 -2.62681377559111 0.13454912604534286 0.7287064730533608 0.13454912604534286 -3.410363389061155" pbc="F F F" Fe -0.01863536 -0.00919957 0.00267339 -0.09894184 -0.14912676 -0.23671866 Fe 1.90026327 1.88651017 0.03310895 0.27464525 0.35921366 -0.75096282 Fe 1.88833240 -0.00515238 1.84896233 0.63303016 -0.64150737 0.62024951 Fe 0.02459003 1.83698787 1.86479727 -0.59146750 0.95742075 0.60528817 Fe 3.78341934 0.01458210 -0.01856348 -0.13151885 -0.48517518 -0.38395959 Fe 5.60775116 1.86695628 0.03297084 0.34445464 0.69505794 -0.78191382 Fe 5.65440468 0.01992877 1.85168902 -0.16269082 -0.69165304 0.74461964 Fe 3.77911576 1.84264410 1.86681730 -0.35559042 0.93673184 0.92528124 Fe 7.52136476 0.00636179 0.02041579 -0.41084032 -0.28905592 -0.41782921 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