32 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=102.25782105871521 stress="-0.006165402724920497 0.00016787233421284515 -0.0004042136560445778 0.00016787233421284515 -0.005619368844294452 -0.0003709360021248142 -0.0004042136560445778 -0.0003709360021248142 -0.006296720050684786" free_energy=102.25782105871521 pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 -4.82319807 -10.15183160 -10.85726822 Fe 22.70960170 22.31143450 20.83833517 -4.82694804 8.31874758 -8.44719407 Fe 22.28829595 20.83509776 22.67410596 5.91309747 -15.97081236 -7.40108955 Fe 20.77812781 22.51878885 22.32834452 -8.89809478 7.68719229 4.89920877 Fe 23.90278341 20.95894820 21.20259391 -1.77537917 -16.80223053 -4.19919072 Fe 25.56504129 21.93195593 20.86550211 10.07356931 7.55955932 -10.83803484 Fe 25.28802619 21.22277084 22.68584377 9.45768280 -31.22746982 -22.66378982 Fe 24.18362810 22.69581920 22.61060445 -15.03369136 -11.22803999 -3.18867848 Fe 21.26959405 24.17626233 20.85402479 -10.35690120 -9.42494048 -18.42664031 Fe 22.70996341 25.49207130 21.15300231 -4.75420772 20.57518544 -21.75113624 Fe 22.53848316 23.95774659 22.32435701 -4.49001168 -16.02108711 4.73788720 Fe 20.95789336 25.38825682 22.27041603 -12.24931430 17.35644389 3.40969407 Fe 24.19178619 24.17895518 21.29140871 -7.76090028 -16.54008388 -44.83190051 Fe 25.61455359 25.53253581 21.14904689 9.64596089 12.15656841 -8.47614181 Fe 25.28091226 24.10609294 22.46603997 40.23631568 -10.09619005 7.75223836 Fe 23.80598025 25.32157598 22.51361598 4.36414647 34.03949377 14.91112724 Fe 20.85198705 20.97567541 24.06329927 -17.14655210 -8.71997102 -5.00407745 Fe 22.43745442 22.27846858 23.75011144 5.56267706 14.39526008 8.80146774 Fe 22.34126820 20.84140700 25.31668137 8.52342745 -10.35321547 9.60858423 Fe 20.91986395 22.24396547 25.59073906 -6.00234521 10.33973965 8.16483147 Fe 24.27219963 20.93381326 24.13132919 -15.18229236 -13.77533877 4.42647428 Fe 25.75978669 22.22592512 23.78504734 22.94605751 24.67606714 23.05712821 Fe 25.68365717 20.90467195 25.58343331 9.23350762 -5.45180049 7.03376121 Fe 24.09460229 22.22100426 25.72094491 -5.52242395 8.16477099 6.96541014 Fe 21.23171545 24.18190327 23.70273684 -14.06986473 -9.36789249 8.79919122 Fe 22.71219253 25.42485375 24.12990665 -6.40926239 22.54421473 -11.10288417 Fe 22.28220450 24.28278197 25.56210000 13.16910575 -37.77806269 12.96119640 Fe 21.13362859 25.32702941 25.57034430 -29.28099854 24.40763135 5.94357908 Fe 24.04852473 24.05473499 23.91561068 -9.35045826 -13.62325947 10.16632259 Fe 25.63661615 25.40480033 23.73856164 10.96166832 16.99044443 5.17993020 Fe 25.29869006 24.11041876 25.26735611 17.86664157 -9.17578579 12.79270306 Fe 23.83533445 25.24148635 25.58611608 9.97898626 16.49669295 17.57729073