180 Lattice="8.553000479936598 0.0 0.0 0.0 8.553000479936598 0.0 0.0 0.0 57.020003199577324" Properties=species:S:1:pos:R:3:forces:R:3 energy=-749.6361162320799 stress="0.005687557045693635 6.600501448627611e-13 1.5176738980380038e-07 6.600501448627611e-13 0.005687557047775102 -7.077687808592596e-07 1.5176738980380038e-07 -7.077687808592596e-07 8.791796257269605e-09" free_energy=-749.6361162320799 pbc="T T F" Fe 8.55222085 0.01105255 14.26973878 0.00000243 -0.00000410 0.00000019 Fe 1.42472101 1.43655162 15.67858192 0.00000250 -0.00000386 0.00000005 Fe 8.55222282 0.01104945 17.11948022 0.00000193 -0.00000320 0.00000027 Fe 1.42472419 1.43654684 18.53765127 0.00000112 -0.00000300 -0.00000000 Fe 8.55222667 0.01104326 19.96454155 0.00000092 -0.00000209 0.00000022 Fe 1.42472869 1.43653918 21.38975429 -0.00000021 -0.00000127 -0.00000029 Fe 8.55223137 0.01103474 22.81534005 -0.00000044 -0.00000129 0.00000031 Fe 1.42473327 1.43652990 24.24081814 -0.00000153 0.00000006 0.00000027 Fe 8.55223547 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