32 Lattice="50.45780372619629 0.0 0.0 0.0 50.45780372619629 0.0 0.0 0.0 50.45780372619629" Properties=species:S:1:pos:R:3:forces:R:3 energy=-87.8283317796228 stress="-0.0002266997947152411 -9.947602201483186e-05 2.6986794945687242e-06 -9.947602201483186e-05 -0.00027557572379580944 -9.454358448427645e-05 2.6986794945687242e-06 -9.454358448427645e-05 -0.00020930441759503584" free_energy=-87.8283317796228 pbc="F F F" Fe 25.02403554 25.32092569 25.40346123 0.19388173 -1.66493794 -2.22143865 Fe 26.91024004 27.07497223 25.37531204 1.13981275 -4.64078178 -4.81915546 Fe 26.77674617 25.29762345 27.05965441 3.33234262 -0.90713864 -1.43743728 Fe 25.11238395 26.80001978 26.97978356 -1.61478150 3.34103909 3.18417461 Fe 28.87303147 25.48889555 25.27083015 -1.94099352 -3.46921833 -0.84677972 Fe 30.26786965 27.14842874 25.27514045 2.16511346 1.17096685 -1.15973367 Fe 30.64380644 25.19400148 26.93545170 -0.85172581 0.79723393 0.24634012 Fe 28.57310772 27.03491498 26.84946051 2.05917744 1.10276395 4.09555704 Fe 25.41068430 28.63899794 25.39065383 -5.59800109 2.94088063 -3.72627309 Fe 26.65719984 30.69738835 25.21750850 0.37704733 -0.63248895 0.53077414 Fe 26.79765363 28.55080487 26.96147927 3.64770453 3.08573495 6.52319746 Fe 25.39242587 30.82331646 27.27435975 0.41646251 -1.18986519 -0.04107001 Fe 28.61551241 29.01781808 25.16625322 -0.40594967 -0.47894988 -0.50208224 Fe 30.75115036 30.77611863 25.18636495 -0.79694615 -0.56949481 0.69985880 Fe 30.47950304 28.81571638 26.78343572 -0.50748033 1.17121637 1.77589096 Fe 28.53396340 30.59591392 26.85618287 -0.06379833 0.52392019 0.48432505 Fe 25.43129084 25.15796879 28.80953955 -1.07855898 0.37742719 1.88991641 Fe 27.18185886 26.88784396 28.94221802 -1.52622240 2.84417312 -1.60747271 Fe 26.98609386 25.44657483 30.66022124 0.16005644 -0.78118452 0.99673481 Fe 25.19391997 26.97592646 30.59169551 0.48948816 0.55881489 -0.76539479 Fe 28.89333189 25.39872967 29.03181900 -3.56876654 -8.92801489 -5.25915114 Fe 30.44277995 26.84954708 28.84995600 6.20432892 4.84440541 -6.19143591 Fe 30.65152798 25.34600005 30.49844533 1.85458671 -2.08933334 1.61224724 Fe 29.06396010 26.92989227 30.42853743 -4.23366996 6.53725508 8.70791515 Fe 25.21197712 28.71850580 28.74669382 0.99809738 0.39641240 0.64600853 Fe 27.04162464 30.83384121 29.01620176 0.54792695 0.30612606 -1.26823357 Fe 27.28078007 28.98756241 30.70768844 -11.91537163 -13.18898746 -0.33254251 Fe 25.37356093 30.84703098 30.62170403 0.02353915 -0.85645735 -0.24355916 Fe 28.54501046 29.07713515 28.68600051 0.84997805 -2.03314716 -0.09130824 Fe 30.31755425 30.82371823 28.97600443 -0.97699561 -0.48728790 -0.63673711 Fe 30.51860797 29.01139384 30.56712268 -0.54037526 -0.66300683 -0.94153329 Fe 28.58486669 30.39972750 30.73110999 11.16009264 12.58192484 0.69839824