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=4.331804534640727 stress="-58.932507112027785 -15.51385607054372 13.893926243805359 -15.51385607054372 -75.38837237090621 -0.9581133329096758 13.893926243805359 -0.9581133329096758 -82.33857888223403" pbc="F F F" Fe -0.18564671 0.11115480 0.11044915 -23.59738916 -36.05989893 -20.61261558 Fe 1.41826113 1.17693662 0.06110600 34.16867606 30.82699034 -41.47450817 Fe 1.47413972 0.01872586 1.49443895 4.01449427 -23.44401964 28.15552412 Fe -0.01190878 1.51878885 1.32834452 -14.58578117 28.67692823 33.93159963