2916 Lattice="32.379992541288594 0.0 0.0 0.0 32.379992541288594 0.0 0.0 0.0 32.379992541288594" Properties=species:S:1:pos:R:3:forces:R:3 energy=-11301.745053953488 stress="-0.0034284222045931735 3.46631783378051e-05 -4.474716589815277e-05 3.46631783378051e-05 -0.00340843392478073 4.74760615903684e-05 -4.474716589815277e-05 4.74760615903684e-05 -0.0034216582963102803" pbc="F F F" Fe 0.02119538 0.02659172 0.02887805 0.50882325 0.55109293 0.50478221 Fe 1.75048545 1.83644121 0.03104468 0.21571487 -0.10846496 -0.48751167 Fe 1.76758417 0.01456204 1.76759090 0.21169697 -0.45621300 0.14479917 Fe 0.03091132 1.77050488 1.82751220 -0.53995140 0.26220325 -0.07207044 Fe 3.59821162 0.02168298 0.02829627 -0.08209350 0.19550406 0.12172187 Fe 5.39744292 1.79278160 0.00593939 0.00882347 0.04044591 -0.30242364 Fe 5.37276814 0.00420119 1.79955103 0.11474987 -0.23154763 0.15766472 Fe 3.56557262 1.79490644 1.79139127 -0.00750226 0.16588837 0.29263614 Fe 7.13231220 0.00431890 0.00003679 0.15086124 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