108 Lattice="10.7526992790368 0.0 0.0 0.0 10.7526992790368 0.0 0.0 0.0 10.7526992790368" Properties=species:S:1:pos:R:3:forces:R:3 energy=-389.57884528273314 stress="-0.007396241518983065 0.00029490186367995706 -0.00044979697211008804 0.00029490186367995706 -0.007424460662417513 0.0007150514237178563 -0.00044979697211008804 0.0007150514237178563 -0.007785501851328115" free_energy=-389.57884528273314 pbc="F F F" Fe 0.03209095 0.01134827 0.02439153 0.10826914 0.18812608 0.08965054 Fe 1.81235078 1.81763707 0.02405811 -0.06876635 -0.17104616 -0.48308295 Fe 1.78988655 0.02705034 1.78292578 0.11987942 -0.28531561 0.07735122 Fe 0.02356957 1.82452252 1.78170814 -0.44087382 -0.22087008 0.18275920 Fe 3.55590464 0.03382659 0.01102226 0.12521197 -0.17716979 -0.02699797 Fe 5.36159389 1.75863227 0.00131316 0.01274807 0.36409122 -0.29180082 Fe 5.40475766 0.02363731 1.80287490 -0.33624621 -0.43164304 -0.02063287 Fe 3.59422579 1.81087981 1.77960374 -0.05516325 -0.13848787 0.17214274 Fe 7.13753265 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