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=-17.299018372775343 stress="-0.00035863657577148394 -4.715355833668821e-05 8.349662738452384e-05 -4.715355833668821e-05 -0.0002315671152508959 -0.00016350865161466946 8.349662738452384e-05 -0.00016350865161466946 -0.0003300651310628103" free_energy=-17.299018372775343 pbc="F F F" Fe 20.91870436 21.04860922 21.20118821 -0.62631742 -0.29614226 -0.65045758 Fe 22.70960170 22.31143450 22.33833517 -0.49332475 4.10524343 2.13556871 Fe 23.78829595 20.83509776 21.14041416 1.64185220 -2.45413456 -1.92234702 Fe 25.27812781 22.51878885 22.60054414 1.39732111 1.35308186 -0.40288903 Fe 20.87679405 23.95894820 21.13640716 -0.70735181 -1.02692923 -0.18726750 Fe 22.56504129 25.20865944 22.36550211 -4.76712775 5.89200141 5.39431030 Fe 23.78802619 24.22277084 21.18584377 5.53706623 -4.29353305 -6.11858975 Fe 25.40955323 25.48086654 22.83050726 0.60064532 0.23296259 -1.29139249 Fe 21.26959405 21.37914956 23.85402479 -1.69974698 -1.01056758 1.03854123 Fe 22.79339672 22.28792533 25.60109685 -0.69111144 0.93364202 1.57817382 Fe 24.25942807 20.95774659 24.15023703 -1.81465491 -3.17683304 -1.82096274 Fe 25.45789336 22.38825682 25.45231930 1.74672927 2.26969719 1.40226859 Fe 21.19178619 24.17895518 24.29140871 -2.11658131 -2.30967937 -1.87636923 Fe 22.43638857 25.53253581 25.64904689 1.04086044 1.95183869 1.97166383 Fe 23.78091226 24.10609294 24.17823250 -0.55496890 -3.28185724 -1.66296954 Fe 25.23083399 25.45148263 25.29582048 1.50671070 1.11120914 2.41271841