32 Lattice="51.21615219116211 0.0 0.0 0.0 51.21615219116211 0.0 0.0 0.0 51.21615219116211" Properties=species:S:1:pos:R:3:forces:R:3 energy=-87.76076609926815 stress="-5.0664934757128426e-05 5.5734336978267215e-06 -3.1549520563784264e-05 5.5734336978267215e-06 -5.9897443101915524e-05 -1.1975708550600589e-05 -3.1549520563784264e-05 -1.1975708550600589e-05 -5.955652423499112e-05" pbc="F F F" Fe 25.48758034 25.72878159 25.72177485 0.04323284 -0.07314916 -0.34393281 Fe 27.61189247 27.28008648 25.47335540 -0.49536691 0.65278568 0.41672067 Fe 27.26080435 25.47065756 27.32364994 0.79346686 0.57229161 0.58648397 Fe 25.42318261 27.45288176 27.29417815 0.64612203 0.16645974 0.77299619 Fe 29.13349636 25.49539579 25.57323532 0.46957090 0.16198895 0.47123352 Fe 31.14972205 27.19444058 25.49599452 -0.55109557 0.32045063 0.41674250 Fe 30.91887613 25.79371846 27.59209419 0.24232663 -2.09456249 -2.43258016 Fe 29.41939610 27.60040706 27.55959946 -1.76587854 -1.11862364 -0.55617394 Fe 25.58422507 29.41325796 25.73538697 0.03837029 -0.88119815 -0.89205291 Fe 27.61219389 31.08891372 25.73557802 -0.72719469 0.62817417 -0.92900176 Fe 27.46929369 29.23116150 27.18008380 -0.54736455 -1.31970308 1.50505058 Fe 25.47373879 31.00240166 27.24590441 0.35067153 0.77056985 0.87982908 Fe 29.42619450 29.41550200 25.85091669 -1.09531807 -1.75069730 -2.54306885 Fe 31.07545446 30.91134779 25.71722710 0.55518239 0.95546153 -0.37737497 Fe 30.91294785 29.35478346 27.40892437 2.53456377 -0.69926951 1.13601389 Fe 29.10468955 30.94683429 27.44857104 0.61400510 1.80070541 0.88225007 Fe 25.65198366 25.50518199 29.31912207 -0.51232352 0.11006270 -0.66131241 Fe 27.38338263 27.25261487 29.49669490 0.27734668 1.42897856 -1.67476453 Fe 27.30494788 25.48425853 30.92986661 0.48611768 -0.71454976 0.77035139 Fe 25.54129605 27.22386228 31.17113686 0.10650154 0.61973094 -0.31735425 Fe 29.49320570 25.63767148 29.37581368 -1.39021567 -0.48173866 -0.01725902 Fe 31.31200988 27.20882866 29.08724546 0.53624968 2.53139977 2.16861711 Fe 31.24856861 25.77714878 31.06332677 -0.08393540 0.07613144 0.17349364 Fe 29.09625104 27.15983972 31.27964173 0.60074528 1.05557925 -0.25535224 Fe 25.80117231 29.41795874 29.11790183 -0.36519298 -0.96197466 0.00403074 Fe 27.61405150 31.03289909 29.37462823 -0.82040510 0.92304652 -0.87664009 Fe 27.25572814 29.50202433 31.14727097 1.18071765 -2.81784258 0.37878780 Fe 25.71943325 30.95137882 31.15482957 -1.18303403 1.25433541 -0.17453569 Fe 29.30680996 29.31198517 29.19604825 -0.87444439 -1.27388658 0.75615236 Fe 31.08852521 31.01618792 29.25605904 -0.01888295 0.58360221 -0.16845177 Fe 30.92776269 29.35838832 30.90165106 0.46792391 -1.06078308 0.45193391 Fe 29.12915139 30.88009294 31.16728438 0.48753763 0.63622427 0.44916797