32 Lattice="50.31220626831055 0.0 0.0 0.0 50.31220626831055 0.0 0.0 0.0 50.31220626831055" Properties=species:S:1:pos:R:3:forces:R:3 energy=-99.91915424892836 stress="6.890666216890752e-05 1.477144726250686e-05 1.287527292024245e-05 1.477144726250686e-05 4.051091753849438e-05 -6.465144530850052e-05 1.287527292024245e-05 -6.465144530850052e-05 1.1806715117788338e-05" free_energy=-99.91915424892836 pbc="F F F" Fe 25.15644501 25.33226968 24.99562094 0.38330616 -0.44227920 0.49407005 Fe 26.81855728 26.89777427 25.06741306 2.20683975 1.28713147 -1.38341561 Fe 26.96814583 24.91089834 26.95465103 -0.68042139 0.64423528 -0.56198891 Fe 25.48936293 26.76301962 26.81318931 -1.27220901 0.31703596 2.40257486 Fe 28.52524549 25.25640339 25.11969687 0.60419762 0.71664209 1.27245597 Fe 30.75372932 27.18105377 24.95629890 -1.44388368 0.11611876 1.28827507 Fe 30.75377785 25.17051960 27.18745906 -1.34560934 1.11652628 -0.03665316 Fe 28.91547977 26.87398590 27.06338644 -3.45543137 -0.06291530 -1.39101219 Fe 25.23969606 28.97398900 25.03470205 0.97659828 -0.05918915 1.50854689 Fe 27.00234551 30.65979772 25.20436589 -1.78445445 0.05112515 0.70965003 Fe 26.73119677 28.82068154 27.00799588 2.26372083 -2.51727708 -3.04627878 Fe 25.16188110 30.68421127 27.14113496 -1.55116401 -0.87574852 -2.24413770 Fe 28.56758211 29.06129630 25.15573542 1.12734399 -1.67195653 -0.09638280 Fe 30.58264638 30.50363152 25.37260608 -0.37898117 3.35415343 -3.23085199 Fe 30.37874179 28.97603125 26.77479363 -1.16923344 -5.65222253 3.30244669 Fe 28.63759269 30.72378113 26.84695663 0.68056868 -0.08313696 1.06879189 Fe 25.09375477 24.94496582 28.84121206 1.79902228 1.67432998 -0.11103010 Fe 26.91011669 27.10999344 28.89200965 3.36395684 -5.72823138 -6.59447468 Fe 27.19604937 25.12996148 30.50195198 -1.35824651 0.95099267 -0.79541520 Fe 25.22594953 27.07782590 30.33665822 -2.54483045 -4.23625978 2.37894669 Fe 28.60757762 24.97900188 28.62218843 1.30295351 0.24666541 -0.06835442 Fe 30.44664503 27.29204253 28.60370372 6.69635811 -3.35299698 0.36444789 Fe 30.76343788 25.05340292 30.39861721 -0.63123054 0.71102656 -1.41100387 Fe 28.98700476 26.61419452 30.26897700 -1.10257867 1.28234917 0.59013575 Fe 25.16384109 28.53328958 28.69315627 -2.53424595 2.86122532 -1.79855163 Fe 26.80916029 30.37624901 28.50767066 2.90275785 1.36805787 4.88260716 Fe 26.84620637 28.52447331 30.41240933 2.16491639 6.04751301 5.35878566 Fe 25.18882663 30.73844703 30.62641907 0.84212306 -1.13104600 -1.32050897 Fe 28.85424034 28.65067290 28.89840672 -4.29774520 3.04689955 -1.27258323 Fe 30.69697900 30.37421187 28.52684869 -1.15927946 -0.05510831 1.03257398 Fe 30.60715814 28.71993927 30.55718651 -0.85023330 -0.20311521 -0.75844874 Fe 28.71036969 30.13442215 30.64974456 0.24511462 0.27945497 -0.53321659