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=11.960198445483124 stress="-3.346275718811372 0.11469180877428961 -0.03631680725841545 0.11469180877428961 -2.466010686508964 -0.4113534325474333 -0.03631680725841545 -0.4113534325474333 -2.076996261567506" pbc="T F F" P 0.24759167 0.11018303 0.18843096 -6.43188774 -32.10284361 -32.48545754 P 1.67061300 1.79169807 0.03851086 4.93910678 19.67300800 -14.95066320 Fe 1.64982991 0.28095696 1.32464588 12.13045180 -16.20591732 21.75133933 Fe 0.26008946 1.37675974 1.32230465 -10.63767083 28.63575293 25.68478141