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:Z:I:1:forces:R:3 energy=-36.227786300215456 pbc="F F F" Fe -0.11492400 0.29768454 -0.01726309 26 1.50890755 1.09921873 1.64895132 C 1.36065667 1.67089611 1.47011124 6 -1.46111000 -2.32324541 -1.86986062 C 2.70220318 -0.28244114 -0.14458569 6 -0.68305490 -0.48221733 -0.71400806 Fe 4.39917148 1.76235339 1.34838096 26 0.90575932 1.12804406 2.53716229 C 0.21005355 3.21252756 -0.05031310 6 0.58547568 -0.18725181 0.35981527 Fe 2.05145919 4.65710459 1.49042854 26 0.86935724 -0.96260459 1.92447546 Fe 2.85687199 2.83109036 0.24122900 26 -1.08983636 1.31788665 0.30998622 C 4.51390174 4.31634348 1.42534241 6 -1.00796121 -1.76047173 -0.01109133 C -0.01433724 -0.18556893 3.04376171 6 -0.82648311 -1.35971170 -1.02005579 C 1.22051529 1.69273990 4.30722932 6 1.27709734 -1.08860646 2.04488018 C 2.82655364 0.05332204 2.73056534 6 1.38375043 -0.12569076 -0.28397662 Fe 4.43686113 1.49816022 4.51283276 26 -0.19888889 1.24212714 -0.66071057 Fe 0.20071341 2.82858036 3.14720807 26 0.73594230 3.74992015 -0.71119190 Fe 1.58942344 4.45706424 4.77559981 26 0.89482411 -0.48389862 -1.69186798 C 2.68284936 3.21736445 2.94190991 6 -0.28503987 2.36620850 -0.49418316 Fe 4.70384132 4.29224623 4.13610511 26 -2.60873961 -2.12970682 -1.36832471