32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-26.9380035388 stress="-2.1333731926674395 0.11692347164251983 -0.16276112793030872 0.11692347164251983 -2.064243692158125 0.006534691396661467 -0.16276112793030872 0.006534691396661467 -2.059660493286998" pbc="F F F" Fe -0.11090311 0.11115480 0.11044915 -3.68597978 -4.34419323 -6.00393514 Fe 1.70960170 1.31143450 -0.16166483 -5.16461590 7.04653625 -4.97458808 Fe 1.31428531 -0.16490224 1.36371066 2.17870509 -3.72053830 4.53270706 Fe -0.22187219 1.51878885 1.29209888 -3.09467606 3.28012791 3.20864152 Fe 2.78262948 -0.04105180 -0.04180894 5.74967235 -9.51756498 -3.11108914 Fe 4.26682601 1.50740770 -0.13449789 4.68582527 -2.67230293 -6.73285277 Fe 4.06093591 0.22277084 1.68584377 6.05122779 -17.03147306 -18.50843085 Fe 3.18362810 1.69581920 1.52775196 -20.03361606 -13.82864006 1.86909423 Fe 0.26959405 3.17626233 -0.14597521 -5.31267778 -3.10929591 -7.91250019 Fe 1.70996341 4.49207130 0.15300231 -3.91510437 10.22397457 -11.01760225 Fe 1.53848316 2.95774659 1.27988817 -4.88943719 -7.48940329 4.10928218 Fe -0.04210664 4.38825682 1.32877138 -4.69362644 6.18383107 0.98181160 Fe 3.19178619 3.17895518 0.29140871 -5.13323728 -1.24696646 -24.71789335 Fe 4.61455359 4.53253581 0.14904689 3.69768023 3.97682225 -1.62856261 Fe 4.28091226 2.85254931 1.46603997 30.58399478 9.94730405 7.39410420 Fe 2.80598025 4.32157598 1.51361598 5.05430266 16.34222006 7.89764636 Fe -0.14801295 -0.02432459 3.04523358 -6.41678543 -4.33397685 -3.79425550 Fe 1.35747307 1.27846858 3.19521631 2.99433254 5.65569099 -6.14064415 Fe 1.34126820 -0.15859300 4.31668137 3.76828512 -7.94588105 6.45118417 Fe -0.08013605 1.24396547 4.59073906 -4.28826337 3.90840644 5.04529798 Fe 3.27219963 -0.06618674 3.13132919 -10.67272028 -6.55945961 7.31318057 Fe 4.75978669 1.22592512 2.78504734 12.62445000 9.69155331 11.36048288 Fe 4.38708675 0.10373889 4.58343331 3.57605873 -0.48422770 5.89598361 Fe 2.79378950 1.72996693 4.72094491 0.32201317 -2.42567898 3.77440187 Fe 0.23171545 3.18190327 2.83184690 -7.00289041 -4.37295894 0.91708898 Fe 1.71219253 4.42485375 3.12990665 -3.57439315 11.19683203 -4.65964438 Fe 1.28220450 3.28278197 4.56210000 12.92042827 -22.34832468 7.47191514 Fe 0.13362859 4.32702941 4.57034430 -21.52202618 19.08102556 3.47540525 Fe 3.04852473 3.05473499 2.91561068 -3.41699864 -4.88937290 3.79575499 Fe 4.63661615 4.40480033 2.86172843 3.99577343 6.10187791 -1.09945943 Fe 4.29869006 3.11041876 4.26735611 9.58184465 -4.01486806 6.46536501 Fe 2.83533445 4.24148635 4.58611608 5.03245426 7.69892459 8.34211023