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=-37.6913878021 stress="0.10243478321490775 0.02459707029959907 -0.023667619201590197 0.02459707029959907 0.08626039865567062 0.01098511458010154 -0.023667619201590197 0.01098511458010154 0.12109738798104806" pbc="F F F" Fe -0.25603453 0.09073906 0.27219963 0.88805176 0.65156180 0.78105743 Fe 1.43381326 1.63132919 1.75978669 -2.73671827 -1.52801608 -2.07435709 Fe 2.58729172 -0.21495266 0.18365717 -0.39027042 0.91461427 0.68756230 Fe 4.70288723 1.64178865 1.29585403 -1.15476159 0.25614816 0.44165049 Fe -0.05190546 3.22094491 0.23171545 0.60283442 -0.68444714 0.60207127 Fe 1.68190327 4.06829135 1.69412684 -1.75106385 2.24972395 -0.79821096 Fe 2.84487240 3.12990665 -0.21779550 -0.02076929 -0.66883273 1.11323529 Fe 4.78278197 4.56210000 1.63362859 -0.94874025 -0.98922941 0.41832498 Fe -0.17297059 0.07034430 3.04852473 0.92160836 0.80113314 -0.39324461 Fe 1.75543702 1.41561068 4.63661615 0.02126673 0.35578146 -1.46150216 Fe 2.60822992 -0.12280496 2.69954172 0.33381840 0.64502176 0.34226190 Fe 4.61041876 1.26735611 4.33533445 -0.99121595 0.53814527 -0.87587282 Fe -0.25851365 3.08611608 3.03369179 1.06262783 -0.55894407 -0.31455749 Fe 1.52392483 4.22329650 4.46375436 0.32039312 -0.76697529 -0.84207662 Fe 2.90583543 2.75559716 2.70178472 4.59118268 -0.48773772 3.29845206 Fe 4.79874826 4.27290972 4.38090187 -0.74824369 -0.72794737 -0.92479397