32 Lattice="50.5717716217041 0.0 0.0 0.0 50.5717716217041 0.0 0.0 0.0 50.5717716217041" Properties=species:S:1:pos:R:3:forces:R:3 energy=-95.56509578274975 stress="6.836602315768916e-05 3.229418965361184e-05 -7.608551626638807e-05 3.229418965361184e-05 1.8606753373769908e-05 -1.3090388208781114e-05 -7.608551626638807e-05 -1.3090388208781114e-05 3.886406829500411e-05" free_energy=-95.56509578274975 pbc="F F F" Fe 25.16539006 25.40659130 25.39958457 0.32649903 -0.29026711 -0.69764113 Fe 27.26668859 26.93488260 25.15116512 -2.30735549 2.04208116 1.25826114 Fe 26.68501422 25.14846728 27.17882761 1.61838942 1.18318524 0.29749556 Fe 25.10099232 27.02920741 26.94897428 1.25776802 1.06611954 0.95905456 Fe 28.79548359 25.50063286 25.45471407 1.46289602 -1.58918593 0.78839461 Fe 30.75849099 26.84923671 25.17380424 -0.76985940 0.78572805 1.14680693 Fe 30.52764507 25.47152818 27.24689032 0.44533299 -2.29445633 -3.33200275 Fe 29.05117863 27.25520318 27.21439559 -2.22977572 -1.67709348 -0.87791579 Fe 25.51054752 29.04504049 25.21286925 -0.21309793 -1.22349811 0.26195894 Fe 27.26699002 30.48639630 25.41338774 -1.12734746 1.33578753 -0.96400496 Fe 27.12408981 28.86294404 27.00906708 -0.88074036 -1.37614627 0.91231204 Fe 25.25079695 30.54451947 27.06795223 1.09589663 0.44804913 -0.62347478 Fe 29.05797703 29.04728453 25.52872640 -1.43410547 -2.77164739 -2.66669432 Fe 30.79975124 30.48426108 25.41009156 0.07526391 1.09940964 -0.10723591 Fe 30.52171679 28.98656599 27.06372049 2.91760944 -0.77562379 1.96397933 Fe 28.73647209 30.55560323 27.10336716 1.89774579 1.88814880 1.28103719 Fe 25.16082125 25.26561532 29.18579826 -0.29013466 0.18461223 -1.58160304 Fe 27.04824246 26.90741099 28.88069494 -0.34604407 0.80752473 0.34742571 Fe 26.95974401 25.15372498 30.55152439 1.02880258 0.55355851 -0.20941831 Fe 25.21910577 26.87865840 30.77990580 1.05889692 1.06284034 -0.45458790 Fe 29.12498823 25.23073019 29.00759621 -1.47412226 0.88302354 0.89971242 Fe 30.92077882 26.86362478 28.71902799 -0.51755398 2.92930492 3.34562882 Fe 30.85733755 25.45495850 30.77381767 -0.75232297 0.57409990 -0.51727046 Fe 28.72803357 27.13351697 30.88841067 0.68991966 0.33220942 -1.87826850 Fe 25.37726006 29.04974127 28.74968436 -0.22874933 -1.39828213 0.83994598 Fe 27.26884762 30.64166803 29.00641076 -1.94542538 1.61498746 -2.20092682 Fe 26.91052426 29.13380686 30.52190980 1.69533325 -4.56444983 1.06552862 Fe 25.39724297 30.56014776 30.76291016 -0.67981300 1.39466943 -0.63590897 Fe 28.93859249 28.94376770 28.82783078 -0.22879903 -1.07387312 1.15206146 Fe 30.81813670 30.62564520 29.00101856 -1.18742162 -0.11565927 -0.44518046 Fe 30.53653163 28.99017085 30.62960668 0.15897665 -1.20083104 -0.02903999 Fe 28.76093392 30.48886188 30.65521076 0.88333782 0.16567424 0.70157078