4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=1.5099435915062507 stress="-2.2684762504303038 0.44473477574598397 0.1940082244276144 0.44473477574598397 -2.253164406714218 0.11316494764565531 0.1940082244276144 0.11316494764565531 -2.9392378372013264" free_energy=1.5099435915062507 pbc="T T T" Fe 0.24624097 0.14302402 2.85498893 -12.28663393 -1.74621895 8.95480065 Fe 1.61042859 1.70947124 2.85512851 1.15675180 -6.40411573 5.79381012 Fe 1.27567134 2.91333883 1.50144273 11.43287464 1.59229405 -11.14060085 Fe 2.87241235 1.32230844 1.41049160 -0.30299250 6.55804063 -3.60800992