32 Lattice="7.604067603226627 0.0 0.0 0.0 7.604067603226627 0.0 0.0 0.0 7.604067603226627" Properties=species:S:1:pos:R:3:forces:R:3 energy=-60.44239314810356 stress="-0.42891597163862105 -0.3790386183991634 0.0742409806146771 -0.3790386183991634 -1.1109765643114962 0.4716818679942172 0.0742409806146771 0.4716818679942172 -0.5846059752996613" pbc="F F F" Fe 0.03595147 -0.02604871 0.01224104 -0.14713127 0.05505911 0.02031290 Fe 1.89891168 1.89236702 -0.02943530 0.54256702 0.35212061 0.01067403 Fe 1.90810631 0.00339960 1.88358673 0.51015506 -0.05623236 0.43891961 Fe -0.00911223 1.96821055 1.91437248 -0.12034610 -0.18190554 0.32373384 Fe 3.82670567 -0.01518173 -0.02902211 -0.36920967 -0.02460817 -0.00396174 Fe 5.72769502 1.89624186 0.01529653 0.07578923 0.39605382 -0.25650551 Fe 5.73511057 0.01009770 1.89951692 0.06992168 -0.26113369 0.36470290 Fe 3.83052965 1.89820107 1.92406547 -0.86921623 0.46964436 0.20895430 Fe 0.03438817 3.78150524 0.03301387 -0.19308208 -0.17100032 -0.44009379 Fe 1.90706750 5.73083482 0.03740302 0.38102934 0.12307978 -0.14198393 Fe 1.91226406 3.80037599 1.93447900 0.61007510 -0.59062521 0.47085395 Fe -0.02463936 5.68534036 1.87758668 -0.08873443 0.20864370 0.55803855 Fe 3.76939922 3.79110108 -0.00126385 -0.23884749 -0.42315500 -0.20852568 Fe 5.69243857 5.71561359 0.02696541 0.05429756 -0.01557335 -0.11477805 Fe 5.69982534 3.78322911 1.89284590 0.36757696 -0.43548509 0.49989533 Fe 3.83725434 5.66616542 1.91545920 -0.62065623 0.35677807 0.46173005 Fe 0.02248541 0.00402927 3.77236258 -0.28193012 -0.21455281 -0.34245430 Fe 1.88885816 1.87468829 3.82904182 0.68860655 0.91576177 -0.93967836 Fe 1.91956964 0.03360199 5.68248427 0.25658193 -0.44736153 0.40192635 Fe 0.00733716 1.88557718 5.70261981 -0.38335962 0.33613552 0.18897677 Fe 3.78909138 0.03655121 3.80340753 -0.25886201 -0.45865702 -0.49168135 Fe 5.71331349 1.86334141 3.82010536 0.31951297 0.63740242 -0.43623773 Fe 5.68594250 -0.00174760 5.71613099 0.06516830 -0.15128013 0.07533121 Fe 3.81396986 1.88847252 5.74055028 -0.45880026 0.60496413 0.17811105 Fe -0.02145239 3.80475851 3.79153107 -0.15361577 -0.21718819 -0.15090718 Fe 1.92650879 5.71102075 3.82381513 0.20490858 0.13989554 -0.51602599 Fe 1.87533386 3.76487062 5.68635604 0.58783071 -0.15658974 0.22766169 Fe -0.00648888 5.72424434 5.73335220 0.07171421 -0.09503723 -0.08899868 Fe 3.81520818 3.77905121 3.79714484 -0.66169194 -0.57716960 -0.36109913 Fe 5.73294564 5.69073832 3.79989038 0.13815405 0.17089136 -0.35206878 Fe 5.67730750 3.79792459 5.67726010 0.36907885 -0.44916224 0.27498709 Fe 3.82184255 5.67798607 5.71537753 -0.46748487 0.16028705 0.14019057