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=0.8444677486908287 stress="-35.48580283278022 0.3951054520009909 27.62007376389919 0.3951054520009909 -14.78850524546996 5.04798347162845 27.62007376389919 5.04798347162845 -42.4635003496153" pbc="F F F" Fe 0.27500470 -0.13833825 -0.09601473 -2.29595090 -3.44948163 -2.48937875 Fe 1.28802619 1.68051743 0.18584377 27.67193863 7.33862161 -32.39301642 Fe 1.60214968 0.19581920 1.60474345 5.49037766 -5.89118345 4.03996982 Fe 0.26959405 1.56451915 1.35402479 -30.86636539 2.00204347 30.84242536