16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-37.58313140802187 stress="4.5395364734478445 -5.605114955175052 3.425723582089569 -5.605114955175052 14.590242670108253 -3.4846935069642155 3.425723582089569 -3.4846935069642155 14.872402067791615" pbc="F F F" Fe 0.21211731 -0.05031310 0.41630703 -2.13596502 5.26094786 -0.98842283 C 1.61341707 1.49042854 1.35687199 -1.25434813 1.47245389 2.08274706 C 3.22508331 0.38555561 0.02201293 0.55602356 0.45691916 -1.35550293 C 4.31634348 1.18557733 1.73416018 1.60261253 0.65573172 0.43073172 C -0.18556893 3.04376171 -0.27948471 5.60024852 -6.39920225 6.87731969 C 1.95185881 4.49742257 1.26172667 0.12658742 0.47052023 -1.08368947 Fe 3.05332204 2.88436473 0.42988403 -5.91758723 -1.58493734 0.11640989 C 4.35247892 4.29294987 1.70071341 1.65768189 0.95289576 0.49136475 Fe -0.03569837 0.20512338 2.82329840 1.62582267 1.20163927 -1.23091511 Fe 1.54208351 1.77559981 4.21321713 0.81755178 -2.82245031 3.14610623 C 3.28339833 -0.20701866 3.36885885 -0.69524101 -0.38918510 0.71412779 Fe 4.29224623 1.45795042 4.42907345 -1.15194882 -0.26654340 -1.33490681 Fe 0.25551247 2.85444624 2.99188881 -2.14384674 -0.08572117 -6.56839718 Fe 1.56482696 4.34575935 4.46653565 -1.76069348 1.09353194 0.66214147 Fe 2.70575425 3.22943577 3.15586213 1.96339209 -0.94017347 -2.70454488 C 4.40395547 4.29893842 4.50193492 1.10970997 0.92357321 0.74543061