32 Lattice="7.773107630087255 0.0 0.0 0.0 7.773107630087255 0.0 0.0 0.0 7.773107630087255" Properties=species:S:1:pos:R:3:forces:R:3 energy=-52.990947570822456 stress="5.8380685200541835 -7.029596889832919 4.2510497108136 -7.029596889832919 -5.234213439135849 -6.246866043328925 4.2510497108136 -6.246866043328925 -1.2908084210769957" pbc="F F F" Fe -0.03847705 -0.03692813 -0.02417103 1.09371078 1.03885446 1.10509357 P 1.90568848 1.93205664 0.05235520 -3.60076911 1.69205792 -0.55661893 Fe 1.90453511 -0.02526381 1.94118572 0.10596555 1.32161850 0.07239730 Fe -0.01311015 1.93306801 1.95842304 1.17970289 -0.21031612 0.07805034 P 3.85807158 -0.03502085 0.01158860 1.77982532 -1.98070760 -0.15629571 Fe 5.85028060 1.93142448 -0.00570265 -1.32889871 -0.05566358 1.28975808 Fe 5.81439752 0.01617064 1.91819096 -1.40503000 1.22766706 0.06416950 P 3.85184243 1.97086633 1.97262747 2.18414922 -0.58870158 -2.24844797 Fe 0.00351831 3.82458268 0.01321786 1.10603593 0.11286798 0.97134780 P 1.90341911 5.83529252 -0.02176620 0.13247691 -1.50303787 1.42082960 Fe 1.89989318 3.82267001 1.92407714 0.34998205 0.28622292 0.17536977 Fe 0.01359147 5.82921140 1.93751884 1.14888390 -1.16526954 0.00245474 Fe 3.92852060 3.91608208 -0.02060450 0.04296106 -0.02870219 1.23236583 P 5.82673212 5.79133881 0.01550903 -1.22220467 1.03720888 -0.93082515 P 5.86698857 3.88424001 1.92018442 2.26559156 -2.17878619 -1.70090974 Fe 3.90953452 5.79113244 1.92727703 0.13582631 -1.07166284 -0.04927283 P -0.00461287 0.02323872 3.89411786 -2.27697632 -0.40685771 -1.96482321 P 1.94854858 1.98096455 3.88898692 -3.69944413 1.57376819 -1.68709758 P 1.94789558 0.03341051 5.81493214 -2.03790050 -2.41891147 4.36345857 Fe 0.03530461 1.91028313 5.79970196 1.21116720 0.03371041 -1.20520206 P 3.88838585 -0.01471959 3.92275060 3.69935235 -3.67433225 -2.10308875 Fe 5.85461118 1.97991095 3.89234663 -1.43222612 -0.18349587 0.07217529 Fe 5.79620642 0.03486669 5.84607333 -1.06353398 1.06308340 -1.07524718 P 3.88616575 1.96333292 5.86689407 3.72756468 2.04094551 3.74385158 P 0.01793592 3.92570376 3.85979256 -0.39842854 0.07854133 -1.64513419 Fe 1.94639992 5.84307962 3.88067640 -0.03325418 -1.23846995 0.29895399 Fe 1.95559695 3.90276923 5.86429131 -0.01698007 0.08074884 -1.36937720 P -0.02486388 5.86310491 5.85994575 1.27587373 0.48388358 0.53906683 P 3.91345311 3.88403299 3.85107442 -2.05302093 1.87962845 0.52367261 P 5.80480747 5.81320936 3.87542039 2.49359434 2.59378835 -0.12416582 Fe 5.83043572 3.93325602 5.83167560 -1.35176355 -0.03667509 -1.32668322 P 3.91683781 5.83181626 5.85939491 -2.01223297 0.19699406 2.19017414