16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-40.87027558104859 stress="3.119493900270336e-05 8.805636955284637e-05 7.276005160178887e-05 8.805636955284637e-05 8.387395910887869e-05 -9.392507115189031e-06 7.276005160178887e-05 -9.392507115189031e-06 -5.871066878011007e-06" free_energy=-40.87027558104859 pbc="F F F" Fe 21.23171545 21.18190327 20.82183498 -0.33006381 0.70936397 0.58640940 Fe 22.71219253 22.42485375 22.62990665 -3.57059108 6.77799548 -2.72455760 Fe 23.50124836 21.28360799 21.06210000 1.65686767 -0.74489566 -1.23310923 Fe 25.63362859 22.32702941 22.81658527 -1.14643749 1.12793120 0.08705206 Fe 21.04852473 24.05473499 20.91561068 0.87149640 -0.74682374 1.15668058 Fe 22.77964016 25.40480033 22.37719504 -1.14077492 0.06342583 0.68658904 Fe 23.65367899 24.11041876 20.76735611 0.29482036 -1.08592783 0.43434375 Fe 25.33533445 25.35191495 22.58611608 -0.02840548 -0.56776439 -0.09211306 Fe 21.24316303 21.02598936 23.57842500 -0.86239949 -0.08207787 -0.14435580 Fe 22.51656150 22.40583543 25.16893599 -0.80995992 1.65071411 1.49673803 Fe 23.70178472 21.29874826 23.77290972 4.58986632 -4.44325792 2.45643121 Fe 25.38090187 22.36136659 25.55835534 -0.97157084 0.87243146 -1.22111609 Fe 20.74645637 23.98193431 23.92001865 1.78165551 -0.57637639 -0.89240297 Fe 22.70070203 25.04998449 25.40085166 -1.58993925 1.00183958 1.43967821 Fe 23.87034782 24.28187239 24.01001192 1.73788884 -3.22294028 -1.68700528 Fe 25.48453339 25.60170120 25.20024209 -0.48245283 -0.73363756 -0.34926224