500 Lattice="18.289690015815747 0.0 0.0 0.0 18.289690015815747 0.0 0.0 0.0 18.289690015815747" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1773.8135021665157 stress="-0.0031633976892709486 -9.90735020939973e-05 0.00018336748328945406 -9.90735020939973e-05 -0.0028711760032475797 -0.00022186970814978762 0.00018336748328945406 -0.00022186970814978762 -0.003027475601145675" free_energy=-1773.8135021665157 pbc="F F F" Fe 0.01875464 0.02232142 0.00549888 0.30014097 0.37004685 0.32899885 Fe 1.86101341 1.79463928 0.03450348 -0.27627394 0.19814320 -0.22334655 Fe 1.84919313 0.04924580 1.80924057 -0.15302338 -0.14200498 0.21005432 Fe 0.04355307 1.85757964 1.84786370 -0.20703911 -0.38825894 -0.18165426 Fe 3.65425247 0.03528619 0.03435027 0.16608994 0.09645777 0.07086211 Fe 5.50563832 1.86125904 0.02056516 -0.10765294 -0.04282671 -0.16924075 Fe 5.50767936 0.02877334 1.80862169 -0.10876945 -0.04532333 0.13394343 Fe 3.68495655 1.86394123 1.83246703 -0.08034205 -0.24610129 0.10679601 Fe 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