2916 Lattice="31.392769795924497 0.0 0.0 0.0 31.392769795924497 0.0 0.0 0.0 31.392769795924497" Properties=species:S:1:pos:R:3:forces:R:3 energy=-9279.370079080967 stress="-209.71729557245862 -21.368455608242925 45.937251607353346 -21.368455608242925 -197.72428126821342 16.442835224208068 45.937251607353346 16.442835224208068 -166.18876359838112" pbc="F F F" Fe 0.00688746 0.00174511 -0.02000500 1.62911456 1.21509260 1.54429012 C 1.77209334 1.77056102 -0.02287834 -1.04452645 -1.71820180 -0.45780460 C 1.76249155 -0.00138631 1.77355296 -1.34359279 -0.46355385 -0.42042562 Fe -0.00329811 1.74979346 1.72144008 1.58038782 -1.17666332 0.55445265 Fe 3.45970678 0.00226648 0.02942217 0.57215443 0.31008875 0.30329281 Fe 5.25389453 1.74291579 -0.03204379 0.85066971 0.20995066 1.06862708 C 5.23900099 0.01164002 1.74091589 -1.23727519 -0.76749975 -0.76923671 Fe 3.50685320 1.72681120 1.71568968 -1.06258521 0.81199578 2.46982735 Fe 6.96437464 -0.02714206 0.00487365 -0.11530523 0.55977955 0.66003506 Fe 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