16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-40.870275581 stress="0.02155559761216298 0.06084665429556859 0.050276950194781955 0.06084665429556859 0.05795662278849627 -0.0064901907301945705 0.050276950194781955 -0.0064901907301945705 -0.004056887406172126" pbc="F F F" Fe 0.23171545 0.18190327 -0.17816502 -0.33006381 0.70936397 0.58640940 Fe 1.71219253 1.42485375 1.62990665 -3.57059108 6.77799548 -2.72455760 Fe 2.50124836 0.28360799 0.06210000 1.65686767 -0.74489566 -1.23310923 Fe 4.63362859 1.32702941 1.81658527 -1.14643749 1.12793120 0.08705206 Fe 0.04852473 3.05473499 -0.08438932 0.87149640 -0.74682374 1.15668058 Fe 1.77964016 4.40480033 1.37719504 -1.14077492 0.06342583 0.68658904 Fe 2.65367899 3.11041876 -0.23264389 0.29482036 -1.08592783 0.43434375 Fe 4.33533445 4.35191495 1.58611608 -0.02840548 -0.56776439 -0.09211306 Fe 0.24316303 0.02598936 2.57842500 -0.86239949 -0.08207787 -0.14435580 Fe 1.51656150 1.40583543 4.16893599 -0.80995992 1.65071411 1.49673803 Fe 2.70178472 0.29874826 2.77290972 4.58986632 -4.44325792 2.45643121 Fe 4.38090187 1.36136659 4.55835534 -0.97157084 0.87243146 -1.22111609 Fe -0.25354363 2.98193431 2.92001865 1.78165551 -0.57637639 -0.89240297 Fe 1.70070203 4.04998449 4.40085166 -1.58993925 1.00183958 1.43967821 Fe 2.87034782 3.28187239 3.01001192 1.73788884 -3.22294028 -1.68700528 Fe 4.48453339 4.60170120 4.20024209 -0.48245283 -0.73363756 -0.34926224