32 Lattice="6.885523944843854 0.0 0.0 0.0 6.885523944843854 0.0 0.0 0.0 6.885523944843854" Properties=species:S:1:pos:R:3:forces:R:3 energy=-104.15189566705448 stress="-0.01697236123390247 0.00016062809178443515 0.004447481952343129 0.00016062809178443515 -0.017543941847413373 -0.002547434875303297 0.004447481952343129 -0.002547434875303297 -0.018320702342729787" free_energy=-104.15189566705448 pbc="F F F" Fe 0.00386204 0.01549310 0.02222983 0.69152802 0.47532598 0.51634034 Fe 1.70119864 1.74136684 0.00344707 -0.15114712 -0.41584073 -1.23002652 Fe 1.68405075 0.02908117 1.74391021 0.23346124 -1.45654862 -0.50750935 Fe 0.02093006 1.68878302 1.68255844 -1.35135833 0.43470227 0.02539801 Fe 3.40837945 0.05387670 0.02463278 0.13399506 -0.20838666 -0.01830707 Fe 5.14847806 1.73163968 0.03241249 0.15309341 -0.21852759 -0.18765281 Fe 5.18809081 0.02785559 1.76511553 -0.18529902 -0.03383342 -0.26864507 Fe 3.41868854 1.71843721 1.69095262 0.25717292 -0.04864706 0.54096862 Fe 0.04516787 3.46515108 0.01705062 -0.38737831 0.05189841 -0.30360826 Fe 1.75156801 5.16113552 0.01514941 -0.00502936 0.36276095 -0.28461594 Fe 1.71872140 3.48652038 1.67019812 -0.32797186 -0.32675527 0.74373504 Fe 0.00923657 5.19590507 1.67596931 0.07809319 -0.13497649 0.28887518 Fe 3.42968219 3.42866624 0.02649502 0.48336584 0.30843456 -1.33255709 Fe 5.16431627 5.14456866 0.02124639 -0.72282400 -0.77839508 0.60481501 Fe 5.18067558 3.41118194 1.69979540 0.93583761 0.51847484 0.20362410 Fe 3.46997151 5.15691846 1.70243296 0.39641417 1.13004976 -0.08514877 Fe 0.02512444 0.03624357 3.42847023 -0.38924242 -0.15313390 0.22387415 Fe 1.70074426 1.73018200 3.41438068 0.38138249 0.30550979 0.40459129 Fe 1.72262031 0.00292819 5.12427158 -0.10643062 0.13277788 0.02115693 Fe 0.01516900 1.75207966 5.14565421 0.08980978 -0.16862894 0.21998693 Fe 3.43076348 0.00866559 3.44694964 0.22762009 -1.04357323 0.01526182 Fe 5.16090172 1.67797862 3.43301545 0.87805065 0.40751546 0.31272092 Fe 5.18293489 0.02748063 5.13955448 -0.64324081 0.64390096 -0.72613060 Fe 3.46289651 1.70537368 5.15785337 0.05322879 -0.01369453 0.83784223 Fe 0.00304772 3.41908648 3.46893724 -0.94038296 0.57315391 -0.32745113 Fe 1.72066389 5.13065473 3.42229537 -0.28323511 1.17680267 0.26675045 Fe 1.75889820 3.45239535 5.15773148 -0.34735273 0.08702448 1.01280782 Fe 0.02699256 5.15883481 5.14981875 0.81103155 -0.83695709 -0.67829417 Fe 3.44597741 3.47228216 3.41496711 0.48508236 -0.34348946 0.35701411 Fe 5.13776959 5.19088132 3.47292779 -0.17919155 -0.35948609 -0.00241315 Fe 5.16792177 3.41373851 5.18660048 -0.38083746 0.06085082 -0.45061115 Fe 3.44203437 5.14861218 5.18781868 0.11175449 -0.12830860 -0.19279189