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=383.34568217412624 stress="-74.09520465966948 0.754927390367292 -0.7718871501060491 0.754927390367292 -80.09955633380369 0.9828824666946974 -0.7718871501060491 0.9828824666946974 -62.11030748451328" pbc="T T F" Fe -0.02897322 0.22814038 0.17682519 460.97302289 -148.40367357 -602.58608973 Fe 1.56756309 1.62082482 0.22839815 -499.74865123 173.66655687 -645.03677050 Fe 1.75553046 0.18793793 1.55121889 -872.97822252 -130.81772339 635.97703971 Fe -0.16640775 1.67940646 1.54389399 911.75385086 105.55484008 611.64582051