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=-6.31498145437 stress="-1.3336773747110207 -0.15592308175383446 -0.11637483308629003 -0.15592308175383446 -3.958263588331131 -1.9568659337457817 -0.11637483308629003 -1.9568659337457817 -3.138295599756305" pbc="F F F" Fe -0.28095614 0.00082602 0.24624097 -2.02506756 -9.74543933 -8.59668323 Fe 1.64302402 1.35498893 0.11042859 1.62310708 1.91289197 -2.36553080 Fe 1.53177968 -0.14487149 1.55280714 1.40077562 -2.25497594 2.27610539 Fe -0.17616957 1.34655491 1.37241235 -0.99881515 10.08752330 8.68610865