32 Lattice="7.165383567750268 0.0 0.0 0.0 7.165383567750268 0.0 0.0 0.0 7.165383567750268" Properties=species:S:1:pos:R:3:forces:R:3 energy=-103.5532524030066 stress="-0.007080327952752142 -0.0020923576672858936 -3.632169207975298e-05 -0.0020923576672858936 -0.00673476023605288 -0.0008828050431699174 -3.632169207975298e-05 -0.0008828050431699174 -0.008610655275874256" free_energy=-103.5532524030066 pbc="F F F" Fe 0.01917256 0.03343280 0.02275208 0.19660903 0.18840045 0.16057311 Fe 1.80782853 1.82122138 0.01776680 -0.39337610 -0.22248704 -0.39645876 Fe 1.81912141 0.01195488 1.78024288 -0.34719373 -0.33105822 -0.01701677 Fe 0.02145109 1.81898450 1.79389518 -0.41740785 -0.25572973 -0.20521332 Fe 3.59728668 0.05969256 0.03438409 0.09884135 -0.10909337 -0.17954993 Fe 5.40271061 1.80863426 0.02775164 -0.02529110 -0.05347013 -0.02254397 Fe 5.36768967 0.02873942 1.81862866 0.08825739 -0.01886257 -0.13017182 Fe 3.57633381 1.79049877 1.77439048 0.23544726 0.14485653 0.28916160 Fe 0.02286099 3.61700482 0.01085934 -0.04106073 -0.22697075 -0.13745876 Fe 1.76185072 5.38607743 0.03117182 0.19970257 -0.00865930 -0.10872697 Fe 1.77544529 3.59939572 1.81408739 0.08540842 0.11247737 -0.25284981 Fe 0.00082717 5.33964811 1.76242102 -0.08512778 0.14196644 0.28788938 Fe 3.55385651 3.55048522 0.02209057 0.32056220 0.50255141 -0.34680259 Fe 5.36320191 5.40345269 0.03441177 -0.32643950 -0.30678466 0.19471590 Fe 5.36964869 3.59391919 1.77602116 0.16497420 0.14276780 0.19788770 Fe 3.54830588 5.38789614 1.79383275 0.40206929 0.22150061 -0.08506679 Fe 0.03655335 0.02654262 3.60811478 -0.07740441 -0.02429764 -0.18133899 Fe 1.76456381 1.80779902 3.56954428 0.29855095 -0.33360232 0.18481759 Fe 1.78561743 0.02627508 5.36772690 0.18532414 0.05470344 -0.00262992 Fe 0.01643396 1.80640485 5.37238395 -0.11432224 -0.08382393 0.07425799 Fe 3.58593943 0.00929938 3.55165228 -0.06441652 -0.28292854 0.37806869 Fe 5.35116657 1.78141783 3.61481580 0.35519362 0.08324957 -0.19345946 Fe 5.34272849 0.02359481 5.39525610 -0.24743464 0.17013961 -0.21105597 Fe 3.58074467 1.81694780 5.35550493 -0.12009718 -0.22964319 0.35459380 Fe 0.02740619 3.56342918 3.57521083 -0.51033863 0.46712882 0.24269087 Fe 1.80314703 5.40386979 3.58446337 -0.38767278 0.24044188 0.18089520 Fe 1.76028882 3.57330911 5.36520174 0.05004675 0.25989767 0.34728178 Fe 0.00428990 5.37820533 5.39056975 0.29668458 -0.29164548 -0.30976515 Fe 3.55124319 3.59640452 3.58334522 0.35290324 0.15109640 0.03353305 Fe 5.39131385 5.36758864 3.61839014 -0.31020947 -0.09322540 -0.12903537 Fe 5.35651277 3.57150347 5.34776317 -0.00002530 0.13187425 0.10042787 Fe 3.54707617 5.36433928 5.40180924 0.13724297 -0.14077000 -0.11765020