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=9.928997220769492 stress="-3.44299026626376 0.5671630542614086 -0.4759429532821457 0.5671630542614086 -3.895303801712854 -0.539704604787376 -0.4759429532821457 -0.539704604787376 -4.074300784962655" pbc="T T T" Fe -0.14459490 0.11115480 0.11044915 17.36136877 -33.52193949 -5.28964123 Fe 1.70960170 1.31143450 -0.16166483 -40.69320787 34.28538732 6.58824752 Fe 1.16509000 0.03769167 1.64041416 6.96612762 -14.96104938 -15.55553145 Fe -0.22187219 1.51878885 1.32834452 16.36571148 14.19760154 14.25692516