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=-3.23506320389 stress="-5.250230114201029 -0.04550644270422365 2.839562185820735 -0.04550644270422365 -2.2742036738033122 -0.6612090755838896 2.839562185820735 -0.6612090755838896 -4.203942016954281" pbc="F F F" Fe -0.25603453 0.09073906 0.27219963 -2.87046769 -4.03550360 -4.01006153 Fe 1.43381326 1.57942374 0.25978669 15.54649290 0.42546322 -12.95478966 Fe 1.22592512 -0.21495266 1.68365717 2.23826490 -2.12950327 1.76459033 Fe 0.20288723 1.58343331 1.29585403 -14.91429011 5.73954365 15.20026086