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=-13.817232587128737 stress="-0.43247616753485746 -0.08220258173611054 -0.23077208875235575 -0.08220258173611054 0.2184421683941277 0.16718963700785294 -0.23077208875235575 0.16718963700785294 -0.6250850782579545" free_energy=-13.817232587128737 pbc="T T F" Fe 2.92139044 2.78901754 0.12771106 -6.33754370 -1.90511391 -11.55044695 C 1.31784722 1.30705263 0.21098217 0.76377173 6.28948673 -4.80508024 Fe 1.28502229 0.14915825 1.21562917 5.26146314 -3.57517086 17.91361393 C 2.71760997 1.62925387 1.54683757 0.31230883 -0.80920195 -1.55808674