108 Lattice="10.456281296230495 0.0 0.0 0.0 10.456281296230495 0.0 0.0 0.0 10.456281296230495" Properties=species:S:1:pos:R:3:forces:R:3 energy=-318.9529239294775 stress="2.670421022137635 -5.031299704830111 5.257678483663753 -5.031299704830111 -2.8822511973870455 0.7851719480020307 5.257678483663753 0.7851719480020307 -7.054574189633645" pbc="F F F" C 0.00824933 0.03270528 0.00940233 -0.43805627 -0.88332732 -0.13162117 Fe 1.73212631 1.71499903 -0.02460965 0.34738561 1.66818615 0.76384301 Fe 1.73282507 -0.02045570 1.76145195 0.52168419 -0.08506625 -0.17982241 Fe -0.02321857 1.74261744 1.73352868 0.74166061 1.13443189 0.84652653 Fe 3.49006175 -0.00449520 0.04743606 0.17183386 0.20846864 -0.03261143 C 5.24979246 1.72028669 0.02714393 -2.44793895 0.40166835 -1.60737292 Fe 5.19771913 0.03905720 1.75466103 1.98328914 -0.45595801 -0.82145854 Fe 3.50903459 1.72775688 1.73887875 -1.31748307 1.40360307 0.73567380 C 6.97318677 0.00912650 -0.01023636 -1.18588167 -1.66505743 -0.43421798 C 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