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=12.324786613366888 stress="-2.8219127280958873 0.43246215505685504 1.1963213378947684 0.43246215505685504 -1.9990873915545067 0.7329005305938312 1.1963213378947684 0.7329005305938312 -2.988853394561402" pbc="F F T" Fe 0.29874826 0.05835534 -0.25354363 -29.93724737 -16.67891645 27.44645762 Fe 1.48193431 1.42001865 0.20070203 21.54254650 16.68960286 -14.89912467 Fe 1.20342959 0.28187239 1.51001192 47.52256112 -28.52380828 -15.56159854 Fe 0.10170120 1.37793365 1.21986988 -39.12786026 28.51312186 3.01426559