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=18.99854486828275 stress="-0.004149081659419115 -1.3383670695290757e-05 0.00015843762801417806 -1.3383670695290757e-05 -0.005749573595913209 -0.0009897207770985699 0.00015843762801417806 -0.0009897207770985699 -0.005574470556338628" free_energy=18.99854486828275 pbc="F F F" Fe 21.05521368 20.92001865 21.40059926 -4.99098017 -10.82842470 -5.00125039 Fe 22.20342959 22.53046366 20.99793547 23.94751542 -10.27115797 -29.35003044 Fe 22.78187239 21.01001192 22.35879198 -32.57141951 -22.72580885 19.89452395 Fe 21.10170120 22.53513772 22.21904386 -42.19450901 -31.49587271 23.81939121 Fe 23.76647448 21.24624097 21.14302402 19.00228299 -16.45790494 -46.40512326 Fe 25.35498893 22.49550460 21.20947124 7.61480496 -6.58951004 -14.21969828 Fe 25.35512851 21.05280714 22.71102337 9.25069602 -9.77547396 -4.32936914 Fe 23.82929181 22.37241235 22.32230844 4.24690606 29.96563736 17.81433715 Fe 20.91049160 23.72286420 20.93858073 -32.59876049 13.31731605 -35.87499605 Fe 22.11271087 25.62499906 21.05988540 1.01339358 5.13165834 -5.21188218 Fe 21.90466063 23.88186968 22.16967160 39.74145680 35.23320220 26.06597181 Fe 20.98844065 25.43194861 22.66207313 -6.26947779 7.81556888 3.22940552 Fe 23.72204232 24.17103028 20.99431038 0.73285677 -0.50513359 -6.75806073 Fe 25.66782583 25.56310742 21.35120695 1.07323249 2.85473927 -1.49913943 Fe 25.33096497 23.87244051 22.28987791 10.65508865 10.88468396 -1.95383844 Fe 23.69666895 25.27696427 22.65784459 -3.44246185 7.85229234 -4.63316346 Fe 20.96512192 21.22586561 24.29391194 -11.61919762 -69.86720948 -58.25503861 Fe 22.22614529 22.54304438 23.59395704 15.96393661 -4.51135090 7.21832400 Fe 22.60754445 20.87929116 25.55016964 3.27821740 -2.05661768 3.59388553 Fe 21.07100342 22.27538150 25.20296332 0.85292147 63.86576941 61.57541003 Fe 23.84887301 20.94134821 23.78984966 1.38655734 -4.13364455 13.98273449 Fe 25.48735431 22.61573140 23.71421298 13.95290103 -7.05879352 7.43062304 Fe 25.44279777 20.88157525 25.51538952 0.93454431 -1.52864392 0.21087983 Fe 24.33105938 22.76120756 25.51009773 -4.97367647 -4.86082641 3.42495785 Fe 21.25226748 23.96431997 24.05679776 -13.84041446 7.29758069 -5.42135459 Fe 22.77307483 25.53237374 24.38575403 -0.29901291 3.83078236 -5.70362207 Fe 22.26922180 23.87172039 25.52031036 10.18920018 -4.17779703 12.59870667 Fe 21.18745344 25.47722177 25.37970777 -8.06261605 5.68611744 5.42794384 Fe 24.27711528 23.87871118 23.75213077 -24.41247960 -8.98067878 5.49022048 Fe 25.23125112 25.21824351 24.13616082 24.53777008 15.82473895 -19.82003873 Fe 25.26429260 24.40528199 25.71980528 19.44767193 -21.97673612 16.75266301 Fe 24.29977655 25.68543805 25.45460942 -22.54694815 28.24149790 15.90662739