108 Lattice="10.697522331339357 0.0 0.0 0.0 10.697522331339357 0.0 0.0 0.0 10.697522331339357" Properties=species:S:1:pos:R:3:forces:R:3 energy=-357.6714389552683 stress="-0.007786443468543308 -0.0008899408125336052 -0.0004695279242905476 -0.0008899408125336052 -0.007878630391517514 -0.0004805369897460928 -0.0004695279242905476 -0.0004805369897460928 -0.007426071225194509" pbc="F F F" Fe 0.03318865 0.02510850 0.03005849 0.39505864 0.45513552 0.46836654 Fe 1.76243002 1.77240553 0.00909569 0.08380746 0.20354714 -0.50021339 Fe 1.78121926 0.01197739 1.75560180 0.05563354 -0.61194606 0.17905939 Fe 0.02780318 1.78799854 1.81569904 -0.63035580 0.13699516 -0.19247577 Fe 3.58702490 0.02336448 0.04761142 -0.03218105 0.05098419 -0.11335128 Fe 5.39371572 1.82639979 0.01709930 -0.09146229 -0.09888085 -0.56670423 Fe 5.31681892 0.03470214 1.80746277 0.23111480 -0.54460666 -0.02525917 Fe 3.56490557 1.78505206 1.77971949 -0.10792372 0.28184166 0.31436317 Fe 7.13153421 0.00454960 0.02777573 -0.14753960 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