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=0.05789641845525839 stress="-21.223992335941134 -1.199735741442255 -0.5890676489249973 -1.199735741442255 -44.06499801633221 -15.57439542955781 -0.5890676489249973 -15.57439542955781 -36.60340469200254" pbc="F F F" Fe -0.28095614 0.00082602 0.24624097 -6.85838230 -22.68144939 -20.55992552 Fe 1.64302402 1.35498893 0.11042859 6.42832610 6.60673107 -9.50591919 Fe 1.53177968 -0.14487149 1.55280714 5.42031717 -9.04248105 8.05505195 Fe -0.08666117 1.34655491 1.37241235 -4.99026097 25.11719936 22.01079275