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=-11.1515775114 stress="-6.0297616945588315 -1.2985150755453196 -5.578161305642069 -1.2985150755453196 2.338476198794791 -1.3826036276372755 -5.578161305642069 -1.3826036276372755 -1.8562443282153824" pbc="F F F" Fe 0.10881314 0.29752009 0.10031152 -21.17574881 -0.60972784 -15.07995223 C 1.48308900 1.54315027 -0.21988289 1.92965753 -3.82028927 6.53485650 Fe 1.63572127 0.05791531 1.23387496 14.30195015 6.83824085 8.87938746 C 0.08501927 1.56603388 1.50649231 4.94414114 -2.40822375 -0.33429173