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=-37.69138780208159 stress="0.00016226743642224712 3.8964338242804135e-05 -3.749199025493916e-05 3.8964338242804135e-05 0.00013664551547154036 1.7401573232972345e-05 -3.749199025493916e-05 1.7401573232972345e-05 0.0001918309590589839" free_energy=-37.69138780208159 pbc="F F F" Fe 20.74396547 21.09073906 21.27219963 0.88805176 0.65156180 0.78105743 Fe 22.43381326 22.63132919 22.75978669 -2.73671827 -1.52801608 -2.07435709 Fe 23.58729172 20.78504734 21.18365717 -0.39027042 0.91461427 0.68756230 Fe 25.70288723 22.64178865 22.29585403 -1.15476159 0.25614816 0.44165049 Fe 20.94809454 24.22094491 21.23171545 0.60283442 -0.68444714 0.60207127 Fe 22.68190327 25.06829135 22.69412684 -1.75106385 2.24972395 -0.79821096 Fe 23.84487240 24.12990665 20.78220450 -0.02076929 -0.66883273 1.11323529 Fe 25.78278197 25.56210000 22.63362859 -0.94874025 -0.98922941 0.41832498 Fe 20.82702941 21.07034430 24.04852473 0.92160836 0.80113314 -0.39324461 Fe 22.75543702 22.41561068 25.63661615 0.02126673 0.35578146 -1.46150216 Fe 23.60822992 20.87719504 23.69954172 0.33381840 0.64502176 0.34226190 Fe 25.61041876 22.26735611 25.33533445 -0.99121595 0.53814527 -0.87587282 Fe 20.74148635 24.08611608 24.03369179 1.06262783 -0.55894407 -0.31455749 Fe 22.52392483 25.22329650 25.46375436 0.32039312 -0.76697529 -0.84207662 Fe 23.90583543 23.75559716 23.70178472 4.59118268 -0.48773772 3.29845206 Fe 25.79874826 25.27290972 25.38090187 -0.74824369 -0.72794737 -0.92479397