108 Lattice="10.478187110850293 0.0 0.0 0.0 10.478187110850293 0.0 0.0 0.0 10.478187110850293" Properties=species:S:1:pos:R:3:forces:R:3 energy=-312.88685045797115 stress="-0.014042037707388958 0.003735428427493639 0.00019112467161256876 0.003735428427493639 -0.017192634942255834 -0.004399439734403252 0.00019112467161256876 -0.004399439734403252 -0.010481770590749739" free_energy=-312.88685045797115 pbc="F F F" C 0.01376216 0.02279971 0.03093175 -0.17850824 -0.68305578 -0.41075816 Fe 1.72673614 1.75022020 0.02290361 0.93595883 -0.22367248 -0.25075238 Fe 1.73636301 0.01450942 1.77456754 0.57234773 -0.46822497 -0.81716343 Fe 0.00187906 1.73587515 1.73750666 0.38409725 1.93274525 0.97459904 C 3.51590055 0.02770586 0.02659266 -2.40529553 -1.00705428 -0.59774766 Fe 5.20587486 1.71670888 0.00401376 2.11441285 2.60910329 0.41701372 C 5.24074927 0.03149148 1.75957449 0.60779362 -1.11861737 -0.57744945 Fe 3.50800897 1.72708874 1.73133717 -0.39973625 2.06309424 0.43600508 Fe 7.01527573 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