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=-53.46792974566313 stress="-0.00143286660536974 4.2146570461283855e-05 -7.915203205797772e-05 4.2146570461283855e-05 -0.0013569197329468237 -5.37384324677294e-05 -7.915203205797772e-05 -5.37384324677294e-05 -0.0014515452381778813" free_energy=-53.46792974566313 pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 -1.24095017 -2.21604748 -2.65807913 Fe 22.74329349 22.31143450 20.83833517 -1.79872374 4.86070811 -3.00369522 Fe 22.28829595 20.83509776 22.66640352 1.97115539 -2.66152464 0.25434699 Fe 20.77812781 22.51878885 22.32834452 -2.07153432 2.21815048 1.76411760 Fe 23.60009055 20.95894820 21.16634827 3.15137313 -5.37920172 -0.15260331 Fe 25.56504129 22.20865944 20.86550211 1.44581885 1.04875107 -2.25365239 Fe 25.28802619 21.22277084 22.68584377 1.09005710 -7.15458621 -6.33520071 Fe 24.18362810 22.69581920 22.55268552 -4.99908363 -2.19386610 1.33845381 Fe 21.26959405 24.17626233 20.85402479 -4.79043508 -4.28179003 -6.29143100 Fe 22.46556056 25.49207130 21.15300231 4.22544088 6.61402079 -3.19756329 Fe 22.53848316 23.95774659 22.12030630 0.48058324 -5.29245576 4.84111924 Fe 20.95789336 25.38825682 22.27041603 -4.32784386 4.79344263 2.80160648 Fe 24.19178619 24.17895518 21.29140871 -2.82251226 -3.80425286 -12.07937701 Fe 25.61455359 25.53253581 21.14904689 3.03821961 3.21426207 -3.55830494 Fe 25.28091226 24.10609294 22.46603997 11.27376986 -6.02634571 1.70477859 Fe 24.10472851 25.32157598 22.51361598 -6.30592852 10.72592905 2.83938663 Fe 20.85198705 20.97567541 24.06329927 -5.16889015 -2.56654827 -2.07825364 Fe 22.43745442 22.27846858 23.99451428 2.52747790 4.86028542 -2.77977995 Fe 22.34126820 20.84140700 25.31668137 2.34293810 -4.94198696 3.64406945 Fe 20.91986395 22.24396547 25.59073906 -2.29801121 3.86809127 2.38305520 Fe 24.27219963 20.93381326 24.13132919 -4.29723075 -3.18286343 1.21119648 Fe 25.75978669 22.22592512 23.78504734 5.44164554 7.07094108 5.31051061 Fe 25.68365717 20.97579694 25.58343331 1.01110536 -0.05130472 1.92559148 Fe 23.67675590 22.44809454 25.72094491 1.43488551 1.35170744 1.52443477 Fe 21.23171545 24.18190327 23.68320157 -1.75825607 -2.93796586 1.31118496 Fe 22.77054788 25.42485375 24.12990665 -0.53957980 5.01049184 -5.59420092 Fe 22.28220450 24.28278197 25.56210000 2.81078152 -9.21673546 3.67422277 Fe 21.13362859 25.32702941 25.57034430 -7.26153698 5.62293835 1.45909601 Fe 24.04852473 24.05473499 23.91561068 -3.30357078 -5.29339890 1.78278774 Fe 25.63661615 25.40480033 23.62365141 4.19892754 4.47878515 3.37281159 Fe 25.29869006 24.11041876 25.26735611 3.88975471 -3.05302759 2.16238344 Fe 23.83533445 25.24148635 25.58611608 2.65015308 4.51539695 4.67698768