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=-40.19790923837681 stress="-0.00043580078944403534 0.0002597204810176834 -7.073559784079752e-05 0.0002597204810176834 -0.00023124593696316635 -5.187914882329081e-05 -7.073559784079752e-05 -5.187914882329081e-05 -0.0004977288881390926" pbc="F F F" Fe 20.91870436 21.04860922 21.20118821 0.78338580 0.71806030 0.55570896 Fe 22.70960170 22.31143450 22.33833517 -0.87055779 0.96875848 0.53016479 Fe 24.06049558 20.83509776 21.27174336 -1.36553948 -1.09975858 -0.61847366 Fe 25.53791450 22.24471398 22.11339186 0.33020866 1.60850366 1.19426065 Fe 21.06045122 24.16183542 21.28602722 -4.20051748 -3.97618150 -2.77043601 Fe 22.56504129 25.20865944 22.36550211 -22.14498561 27.36533844 1.67508025 Fe 23.78802619 24.22277084 21.18584377 15.96169837 -11.77346163 -14.16324456 Fe 25.68362810 25.69581920 22.44270412 -1.79223547 -1.14806145 0.05817473 Fe 21.21768859 21.39720724 24.08574024 0.30658552 0.27076914 -0.51406125 Fe 22.89186668 22.31390627 25.57785606 0.14785434 1.32566116 -0.38500384 Fe 24.16838981 21.24052856 23.98062158 -1.50081508 -0.68846230 -1.57121415 Fe 25.59152195 22.21528623 25.34076033 0.70358842 1.54955523 0.76535045 Fe 21.24031092 24.23369017 24.20701940 -0.49136291 -1.31858975 -0.66773441 Fe 22.75116974 25.43733615 25.52624194 -0.05135793 -0.07740917 0.16533594 Fe 23.57960232 24.21651170 23.73339608 14.10617701 -13.21066794 16.27728062 Fe 25.14131469 25.06306233 25.59973206 0.07787364 -0.51405409 -0.53118850