108 Lattice="10.471727577843268 0.0 0.0 0.0 10.471727577843268 0.0 0.0 0.0 10.471727577843268" Properties=species:S:1:pos:R:3:forces:R:3 energy=-310.4200424419255 stress="2.274587471730448 1.6250420730748765 -2.543782122253784 1.6250420730748765 4.124090496859225 -4.009747082305182 -2.543782122253784 -4.009747082305182 -5.175928722982064" pbc="F F F" C -0.00555525 -0.00705172 0.02042246 -0.08868195 -1.11403019 -0.07564550 C 1.72080808 1.72155008 0.01331976 1.02779605 -1.73104108 -1.41348698 Fe 1.75773599 0.00470392 1.77389113 -0.63612960 1.20279154 -0.41570463 C -0.02868143 1.72847824 1.76931791 -0.45484392 -0.91916972 0.73863822 Fe 3.53404092 0.02119802 -0.02428002 -0.44623103 1.14190219 1.08576629 Fe 5.23094579 1.76987685 0.03272319 0.78093373 -0.69487835 -0.77493939 C 5.25066365 0.03273299 1.73429240 -1.08825460 -1.00894201 0.74671412 C 3.50222267 1.77551311 1.72177578 -0.07654784 -2.23146066 2.18817504 C 6.98892724 -0.01294767 -0.00406849 -0.54186993 0.43597933 -0.05855922 C 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