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=-7.4366956564372195 stress="-8.100254337608074 -2.4310163830889895 -1.701085240272021 -2.4310163830889895 -7.401974624120473 0.8202972805485225 -1.701085240272021 0.8202972805485225 -5.799429665862281" pbc="F F F" Fe 0.28187239 0.01001192 -0.01546661 -4.42297039 -3.91449947 -1.85933221 Fe 1.60170120 1.37793365 -0.28095614 2.98812021 3.73339812 -1.42197350 Fe 1.50082602 0.24624097 1.64302402 2.89758994 -1.46984225 3.02495429 Fe -0.14501107 1.61042859 1.56459975 -1.46273976 1.65094359 0.25635142