252 Lattice="12.114112386971993 0.0 0.0 0.0 8.56597101688385 0.0 0.0 0.0 56.53252447253596" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1017.4730183452813 stress="-0.00030706917950347457 2.793728079605484e-12 -1.1168907618848558e-06 2.793728079605484e-12 0.0020918438315990404 -6.173363902823848e-07 -1.1168907618848558e-06 -6.173363902823848e-07 2.6633460031213e-07" free_energy=-1017.4730183452813 pbc="T T F" Fe 12.11317819 0.00852665 14.14130845 -0.00000651 -0.00000612 0.00000160 Fe 2.01808445 1.43618849 14.14130912 -0.00000453 -0.00000610 0.00000049 Fe 2.01807788 0.00852371 16.15681501 -0.00000247 -0.00000524 0.00000091 Fe 4.03709689 1.43618553 16.15681526 -0.00000686 -0.00000491 0.00000125 Fe 4.03708536 0.00851827 18.17576309 -0.00000646 -0.00000230 -0.00000039 Fe 6.05610398 1.43618019 18.17576305 -0.00000108 -0.00000374 -0.00000091 Fe 6.05608831 0.00851138 20.19478283 0.00000164 -0.00000159 0.00000241 Fe 8.07510745 1.43617322 20.19478289 -0.00000667 -0.00000153 0.00000327 Fe 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