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=-11.629349007019806 stress="-0.003677774803980949 6.918129722637332e-05 -0.0002100087677116586 6.918129722637332e-05 -0.0034663986967543425 -0.000204468980995696 -0.0002100087677116586 -0.000204468980995696 -0.0037607447372057495" free_energy=-11.629349007019806 pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 -2.52721553 -6.15933167 -6.50862648 Fe 22.70960170 22.31143450 20.83833517 -4.47779072 5.08562395 -5.86719412 Fe 22.28829595 20.83509776 22.67410596 4.41323300 -9.56197171 -4.71991305 Fe 20.77812781 22.51878885 22.32834452 -5.53292315 4.80001312 2.93478181 Fe 23.90278341 20.95894820 21.20259391 0.43548778 -11.22123616 -3.71177175 Fe 25.56504129 22.20865944 20.86550211 5.74461065 2.94365508 -6.39915597 Fe 25.28802619 21.22277084 22.68584377 6.84623444 -15.77158107 -10.80508829 Fe 24.18362810 22.69581920 22.37014659 -8.13680256 -8.02146507 4.06524809 Fe 21.26959405 24.17626233 20.85402479 -6.95509862 -7.13136633 -11.75863306 Fe 22.67371777 25.49207130 21.15300231 -0.68073107 13.22755497 -12.57727378 Fe 22.53848316 23.95774659 22.32435701 -3.53822320 -9.97197403 3.52829738 Fe 20.95789336 25.38825682 22.27041603 -8.24542214 11.25490669 2.74820818 Fe 24.19178619 24.17895518 21.29140871 -2.99545226 -6.40397713 -26.55065809 Fe 25.61455359 25.53253581 21.14904689 5.85848146 8.02967380 -5.13854060 Fe 25.28091226 24.10609294 22.46603997 23.10823745 -6.65595860 3.90525648 Fe 23.80598025 25.32157598 22.51361598 2.12205176 21.21253667 7.00062624 Fe 20.85198705 20.97567541 24.06329927 -11.80040173 -5.72704445 -3.89158921 Fe 22.43745442 22.27846858 23.75011144 5.07421745 8.91267002 4.91329701 Fe 22.34126820 20.84140700 25.31668137 5.95615013 -7.17978070 6.36513026 Fe 20.91986395 22.24396547 25.59073906 -3.41979866 7.75669122 4.94453368 Fe 24.27219963 20.93381326 24.13132919 -10.20011595 -8.33226693 1.29117915 Fe 25.75978669 22.22592512 23.78504734 11.29787686 13.78458646 10.51653089 Fe 25.68365717 20.90467195 25.58343331 6.13413904 -3.32540785 4.14762234 Fe 24.09460229 22.22100426 25.72094491 -3.84375348 5.95757434 4.15905980 Fe 21.23171545 24.18190327 23.70273684 -9.16236317 -5.93714112 5.64093441 Fe 22.71219253 25.42485375 24.12990665 -3.76736605 14.60768493 -7.30939687 Fe 22.28220450 24.28278197 25.56210000 5.11177184 -21.00442395 8.42302280 Fe 21.13362859 25.32702941 25.57034430 -14.64383255 11.82167740 3.87413014 Fe 24.04852473 24.05473499 23.91561068 -5.51957561 -12.04893471 5.09781098 Fe 25.63661615 25.40480033 23.73856164 6.55987010 10.78291461 2.63712301 Fe 25.29869006 24.11041876 25.26735611 10.88816652 -6.39359941 7.87605637 Fe 23.83533445 25.24148635 25.58611608 5.89633800 10.66969765 11.16899225