4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-6.80270003179 stress="-1.6995352100297727 0.5285849029748915 -0.168768553440779 0.5285849029748915 -1.7264746020872468 -0.17206120948705708 -0.168768553440779 -0.17206120948705708 -1.6569131464560136" pbc="F F F" Fe -0.17842402 0.01361598 -0.14801295 -1.68722526 -1.75663583 -2.99456041 Fe 1.47567541 1.56329927 -0.06254558 1.13506437 1.55992495 -1.49892985 Fe 1.27846858 -0.00548572 1.34126820 3.50294723 -3.29642204 2.14165006 Fe -0.15859300 1.31668137 1.41986395 -2.95078634 3.49313292 2.35184020