32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-26.938003538838103 stress="-0.0032925208672653747 0.00018045270821781097 -0.0002511958113714475 0.00018045270821781097 -0.003185830521782038 1.008525271554416e-05 -0.0002511958113714475 1.008525271554416e-05 -0.0031787570861666306" free_energy=-26.938003538838103 pbc="F F F" Fe 20.88909689 21.11115480 21.11044915 -3.68597978 -4.34419323 -6.00393514 Fe 22.70960170 22.31143450 20.83833517 -5.16461590 7.04653625 -4.97458808 Fe 22.31428531 20.83509776 22.36371066 2.17870509 -3.72053830 4.53270706 Fe 20.77812781 22.51878885 22.29209888 -3.09467606 3.28012791 3.20864152 Fe 23.78262948 20.95894820 20.95819106 5.74967235 -9.51756498 -3.11108914 Fe 25.26682601 22.50740770 20.86550211 4.68582527 -2.67230293 -6.73285277 Fe 25.06093591 21.22277084 22.68584377 6.05122779 -17.03147306 -18.50843085 Fe 24.18362810 22.69581920 22.52775196 -20.03361606 -13.82864006 1.86909423 Fe 21.26959405 24.17626233 20.85402479 -5.31267778 -3.10929591 -7.91250019 Fe 22.70996341 25.49207130 21.15300231 -3.91510437 10.22397457 -11.01760225 Fe 22.53848316 23.95774659 22.27988817 -4.88943719 -7.48940329 4.10928218 Fe 20.95789336 25.38825682 22.32877138 -4.69362644 6.18383107 0.98181160 Fe 24.19178619 24.17895518 21.29140871 -5.13323728 -1.24696646 -24.71789335 Fe 25.61455359 25.53253581 21.14904689 3.69768023 3.97682225 -1.62856261 Fe 25.28091226 23.85254931 22.46603997 30.58399478 9.94730405 7.39410420 Fe 23.80598025 25.32157598 22.51361598 5.05430266 16.34222006 7.89764636 Fe 20.85198705 20.97567541 24.04523358 -6.41678543 -4.33397685 -3.79425550 Fe 22.35747307 22.27846858 24.19521631 2.99433254 5.65569099 -6.14064415 Fe 22.34126820 20.84140700 25.31668137 3.76828512 -7.94588105 6.45118417 Fe 20.91986395 22.24396547 25.59073906 -4.28826337 3.90840644 5.04529798 Fe 24.27219963 20.93381326 24.13132919 -10.67272028 -6.55945961 7.31318057 Fe 25.75978669 22.22592512 23.78504734 12.62445000 9.69155331 11.36048288 Fe 25.38708675 21.10373889 25.58343331 3.57605873 -0.48422770 5.89598361 Fe 23.79378950 22.72996693 25.72094491 0.32201317 -2.42567898 3.77440187 Fe 21.23171545 24.18190327 23.83184690 -7.00289041 -4.37295894 0.91708898 Fe 22.71219253 25.42485375 24.12990665 -3.57439315 11.19683203 -4.65964438 Fe 22.28220450 24.28278197 25.56210000 12.92042827 -22.34832468 7.47191514 Fe 21.13362859 25.32702941 25.57034430 -21.52202618 19.08102556 3.47540525 Fe 24.04852473 24.05473499 23.91561068 -3.41699864 -4.88937290 3.79575499 Fe 25.63661615 25.40480033 23.86172843 3.99577343 6.10187791 -1.09945943 Fe 25.29869006 24.11041876 25.26735611 9.58184465 -4.01486806 6.46536501 Fe 23.83533445 25.24148635 25.58611608 5.03245426 7.69892459 8.34211023