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=5.705228730353217 stress="-1.0972794815762361 -0.29125961035870657 -0.1962660891161524 -0.29125961035870657 -1.7942307403385984 0.22410198614197901 -0.1962660891161524 0.22410198614197901 -1.2968632335557422" pbc="F T F" Fe 0.07255377 0.14066906 0.01258782 -15.00710944 -4.65185978 -9.82222886 P 1.66911338 1.30454100 0.12365747 10.50978878 10.19272830 -16.82912694 P 1.45588739 0.04417158 1.34681875 9.20138260 -6.06938161 23.31463311 Fe 0.04737131 1.53238783 1.74404962 -4.70406194 0.52851310 3.33672269