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=-4.056197825948597 stress="-0.004427316880374769 1.5985803448873665e-05 -4.9560501193203354e-05 1.5985803448873665e-05 -0.00405933627128467 -0.0003929943262359496 -4.9560501193203354e-05 -0.0003929943262359496 -0.005390404558812605" free_energy=-4.056197825948597 pbc="F F F" Fe 21.27559981 20.78577090 21.21736445 -6.37197375 -2.30661737 -9.28060920 Fe 22.29734010 22.71642913 20.96135962 0.46289313 -3.26859323 -5.25300064 Fe 22.23214964 20.80495125 22.75551247 12.21993139 -3.04930120 -1.67852486 Fe 20.85444624 22.61554629 22.52071435 -4.34944918 -3.58574783 1.53403134 Fe 23.79917573 20.86503258 20.75312556 -0.05845739 -0.26478489 0.04864813 Fe 25.46963223 22.65586213 20.93634330 10.67966082 -7.55312488 -2.73185205 Fe 25.33226600 20.97454562 22.62036030 7.85587405 -4.77440728 -9.79346740 Fe 23.82441938 22.74843919 22.64432661 2.52569814 -22.79063848 -6.68591830 Fe 20.88961167 24.24849743 21.25911890 -5.17352745 -7.54788498 -17.67140024 Fe 22.69019325 25.45695800 21.10881314 -9.77764664 6.68171849 -16.14465653 Fe 22.63250256 24.19150797 22.55442580 -30.35488268 -2.23084209 -21.09764720 Fe 20.85431870 25.28011711 22.63572127 -8.24579690 31.96700081 -14.20010815 Fe 24.05791531 23.73387496 21.08501927 -3.34220869 9.57962980 -11.64909333 Fe 25.36244266 25.72149598 21.44415386 27.13164755 3.70237965 -16.45290460 Fe 25.72580078 23.78129995 22.87375698 6.66595662 8.86128546 -9.14875263 Fe 23.99955875 25.54313966 22.28010356 -10.07785273 7.23977196 23.15658544 Fe 21.25980354 20.96667242 24.27143892 -28.00893169 -8.47442637 -9.34428378 Fe 22.28619118 22.60338854 24.24759167 -1.81275257 -26.26746243 -34.23505451 Fe 22.61018303 20.92518197 25.24663523 15.33955306 -14.26471533 16.40128114 Fe 20.98702489 22.21050297 25.68843096 -8.47586670 3.91252140 9.69602796 Fe 24.17061300 21.29169807 23.96863002 -20.35144548 -7.97093159 -4.28882529 Fe 25.44630638 22.53851086 24.11473960 9.90834796 1.42178741 9.40295133 Fe 25.24795387 20.82929456 25.28747849 9.50554894 -6.63467656 12.52992466 Fe 23.65737122 22.37993804 25.78095696 8.84808636 4.33517636 8.90477480 Fe 20.82464588 24.26008946 23.87675974 -8.82516477 -26.93178792 15.95401339 Fe 22.32230465 25.78460712 23.75346517 5.44768933 10.40353971 4.91157580 Fe 22.39035549 23.77715687 25.24014891 3.05738094 36.84787144 33.13467484 Fe 20.97729375 25.32743118 25.29546282 -2.05479739 8.80698591 12.71983259 Fe 23.70940621 24.11893942 23.72956938 25.75765104 9.34952098 36.47621572 Fe 25.33885520 25.49132826 24.23010044 26.42172849 -0.19859280 -23.06687831 Fe 25.72159979 23.96529690 25.62033173 1.00618631 -1.07029632 3.84654134 Fe 24.17828948 25.71182891 25.29301824 -25.55308013 6.07564215 24.00589853