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=-23.99869677587374 stress="-0.0034829511551655694 0.0003315830064587913 -0.0003193785497819438 0.0003315830064587913 -0.0032729282014928103 -0.00017849119381462531 -0.0003193785497819438 -0.00017849119381462531 -0.003373959951510295" free_energy=-23.99869677587374 pbc="F F F" Fe 20.88909689 21.11115480 21.11044915 -3.71151860 -6.13157326 -7.45301427 Fe 22.70960170 22.31143450 20.83833517 -7.94581135 13.26788840 -5.30482482 Fe 22.31428531 20.83509776 22.36371066 1.78111793 -6.31423732 3.37613841 Fe 20.77812781 22.48254321 22.23417995 -3.84282234 5.42837984 4.50028266 Fe 23.63239121 20.95894820 20.90437863 9.59726785 -15.84996818 -2.86356267 Fe 25.33795100 22.08956130 20.86550211 2.91931345 1.88558064 -3.66389208 Fe 25.14939279 21.22277084 22.68584377 2.99762201 -20.16113139 -20.47089078 Fe 24.18362810 22.69581920 22.70520544 -6.33490297 -4.99705366 -5.62632612 Fe 21.26959405 24.17626233 20.85402479 -6.90823559 -3.53065513 -10.04383640 Fe 22.70996341 25.49207130 21.15300231 -3.87681006 12.18067571 -12.43512925 Fe 22.53848316 23.95774659 22.16497794 -5.05000880 -7.93024785 7.00399062 Fe 20.95789336 25.38825682 22.25235034 -5.16486061 6.06326989 3.20715403 Fe 24.19178619 24.17895518 21.29140871 -5.98621659 -7.59160885 -29.66211277 Fe 25.61455359 25.53253581 21.14904689 4.37021651 5.66593835 -3.24116090 Fe 25.28091226 24.10609294 22.46603997 26.53045538 -4.68966542 8.53695793 Fe 23.80598025 25.32157598 22.51361598 2.42571378 18.50362213 8.66606125 Fe 20.85198705 20.97567541 23.98331792 -5.26788863 -2.40989740 -2.87265070 Fe 22.63815645 22.27846858 23.69794387 -4.94221140 1.47595984 4.86158328 Fe 22.24211986 20.84140700 25.31668137 3.83697371 -4.63553579 3.47794822 Fe 20.91986395 22.24396547 25.59073906 -2.28334975 3.90192783 2.43180155 Fe 24.27219963 20.93381326 24.13132919 -7.44583712 -8.42056505 8.77635252 Fe 25.75978669 22.22592512 23.78504734 15.57214632 14.33275180 12.50250625 Fe 25.68159264 21.48475961 25.58343331 2.77008699 -1.06110091 4.97500936 Fe 23.80586595 22.43262793 25.72094491 -1.48470899 0.75546167 2.73747625 Fe 21.23171545 24.18190327 23.92353618 -7.13059233 -5.23963385 -2.89554236 Fe 22.71219253 25.42485375 24.12990665 -3.77988799 11.37136347 -5.30878231 Fe 22.28220450 24.28278197 25.56210000 16.19009420 -25.31865841 8.28691960 Fe 21.13362859 25.32702941 25.57034430 -23.64853737 21.39140112 4.41121061 Fe 24.04852473 24.05473499 23.91561068 -3.98541063 -3.25218203 6.43806303 Fe 25.63661615 25.40480033 23.75512869 5.19101764 7.90865970 2.39207076 Fe 25.29869006 24.11041876 25.26735611 9.17508587 -4.14728243 6.62722850 Fe 23.83533445 25.24148635 25.58611608 5.43249949 7.54811652 8.63297057