32 Lattice="7.236073179908063 0.0 0.0 0.0 7.236073179908063 0.0 0.0 0.0 7.236073179908063" Properties=species:S:1:pos:R:3:forces:R:3 energy=-92.19101211430174 stress="-0.005682077837416697 0.0006270159470176582 -0.0022756888196649406 0.0006270159470176582 -0.0053817808230748705 -0.0007176616669736613 -0.0022756888196649406 -0.0007176616669736613 -0.004983521151527015" free_energy=-92.19101211430174 pbc="F F F" Fe 0.03539159 0.00075119 0.02627828 0.10578121 0.16230678 0.15467328 Fe 1.83507395 1.76246392 0.03125395 -0.12352070 0.17936090 -0.44676527 Fe 1.78331368 0.00385249 1.82505767 0.09004612 -0.49339035 -0.06627237 Fe 0.00071698 1.82324761 1.80589003 -0.41564633 -0.08826519 -0.11546434 Fe 3.65399509 0.03240471 0.03073363 -0.03282298 -0.16749888 -0.12065720 Fe 5.41328015 1.85809320 0.01054802 0.06815764 -0.15023617 -0.08031152 Fe 5.43528406 0.02454014 1.79141055 0.05495333 -0.05661718 0.03988190 Fe 3.61341841 1.77612792 1.81934809 0.07765211 0.23673428 0.09520940 Fe 0.04049677 3.63793702 0.01607043 -0.08644196 -0.13529609 -0.06052819 Fe 1.80271466 5.39723492 0.03006395 0.12126969 0.15810444 -0.13985467 Fe 1.82321463 3.60631492 1.80268541 -0.07980144 -0.01357488 0.10552366 Fe 0.02559678 5.44702458 1.78171987 -0.03296424 -0.06963563 0.16091769 Fe 3.64673106 3.64345171 0.02069696 -0.06806240 -0.04036804 -0.46172414 Fe 5.43629649 5.46308741 0.00256412 -0.23343082 -0.23665115 0.24639849 Fe 5.45179768 3.62740798 1.76706735 0.34797314 0.09568715 0.19700305 Fe 3.62324719 5.39104485 1.80429100 0.08709217 0.56429443 -0.08296152 Fe 0.01914757 0.00424005 3.61918221 -0.10028905 -0.02228151 0.06808032 Fe 1.78232983 1.79295646 3.59375273 0.27324201 0.07006473 0.17231642 Fe 1.78021828 0.01255641 5.45750888 0.11359422 0.03583311 -0.07959383 Fe 0.03850030 1.82051324 5.42878037 -0.12157661 -0.07851295 0.06846590 Fe 3.61427852 0.00721819 3.64235946 0.06225179 -0.32008361 0.11386614 Fe 5.43769835 1.78432571 3.59511544 0.24193236 0.11766895 0.22478791 Fe 5.41682325 0.03030595 5.45446814 -0.26352703 0.26042788 -0.26198526 Fe 3.61250335 1.84009342 5.43686416 0.08925590 -0.07681125 0.17783807 Fe 0.01470090 3.59177760 3.63476495 -0.41686873 0.31411547 -0.09315479 Fe 1.81334101 5.45058250 3.60706201 -0.12136945 0.26064586 0.11998477 Fe 1.78901013 3.62354821 5.39099227 0.15818718 0.14463806 0.38255240 Fe 0.00573193 5.40694097 5.45793012 0.25396961 -0.23924044 -0.30300037 Fe 3.61669766 3.63466078 3.58592325 0.12710672 -0.12591780 0.23940447 Fe 5.41479895 5.45675291 3.58295343 -0.07091385 -0.11303252 0.11447052 Fe 5.42739143 3.66598474 5.42962372 -0.13699907 -0.02615270 -0.18785723 Fe 3.60241051 5.44959526 5.45655058 0.03176949 -0.14631569 -0.18124366