32 Lattice="51.217647552490234 0.0 0.0 0.0 51.217647552490234 0.0 0.0 0.0 51.217647552490234" Properties=species:S:1:pos:R:3:forces:R:3 energy=-91.03804273753295 stress="8.733397896538509e-05 7.626207557517515e-06 7.2302325904436e-06 7.626207557517515e-06 5.889142902316461e-05 1.4046974852863851e-05 7.2302325904436e-06 1.4046974852863851e-05 4.925896353661506e-05" pbc="F F F" Fe 25.64211694 26.00160390 25.63596159 -0.23718010 -0.16191645 0.27702397 Fe 27.33324097 27.56902886 25.41353083 0.65100813 -0.07109948 0.33816720 Fe 27.34225548 25.85689423 27.42363956 0.68842855 -1.04554011 -1.68991743 Fe 25.57886145 27.58043890 27.41311817 -0.31709400 0.31043482 0.54234844 Fe 29.01906316 25.37345616 25.48833570 0.30104899 1.49609822 1.04201311 Fe 31.01240511 27.65665330 25.48247458 -0.37919402 -0.21400318 0.15188315 Fe 31.27147349 25.99191459 27.39609789 -0.29408297 -0.95525421 -1.60800779 Fe 29.51384944 27.56894597 27.43004926 -1.75009949 -0.56511759 -0.38504580 Fe 25.48955043 29.24776395 25.80984795 0.30367823 0.25522902 -0.35443490 Fe 27.45636958 31.03520096 25.54660912 -0.36090340 -0.30077684 0.80710573 Fe 27.42607777 29.11258639 27.47449356 -0.09840883 0.82650849 -0.44526150 Fe 25.37591985 31.25704546 27.27738324 1.19464630 -0.80371765 0.41803971 Fe 29.06866607 29.24931385 25.51246106 1.14966992 0.39570227 0.67956734 Fe 31.28901794 31.09489572 25.61951774 -0.95677510 -1.01986638 0.84257600 Fe 31.26369004 29.12437748 27.56069887 -0.26947859 0.94237147 -0.54434684 Fe 29.34174671 31.06064907 27.66769198 0.52131863 -0.27512189 -1.35715677 Fe 25.36983805 25.78996082 28.87779635 0.46709074 0.00461625 0.59523784 Fe 27.60789324 27.26489733 29.04401854 -0.36614144 1.41669836 1.94824411 Fe 27.42755476 25.77889988 30.97513407 -0.09521886 0.30162623 -0.46704774 Fe 25.60206445 27.64907374 30.96826271 0.55309001 -0.50552804 -0.42512001 Fe 29.42458286 25.36361898 29.24192070 -0.99544391 0.18122759 -1.17933773 Fe 31.20017233 27.31324368 29.12744884 0.54141787 1.71488046 1.28510003 Fe 30.90393459 25.83398229 30.84998416 1.89635298 -1.77686662 1.28490885 Fe 29.47425983 27.41604312 30.71952338 -1.91684320 1.66478576 0.28645792 Fe 25.72821118 29.48315959 29.42572155 0.11470135 0.13303349 -0.97939659 Fe 27.60367309 31.18710648 29.27759434 -1.32617874 0.37571381 0.22819322 Fe 27.52161840 29.31258201 30.97502779 -0.84704831 -0.32589535 0.97041334 Fe 25.42558804 31.20952993 31.14469163 0.82891615 -0.51921713 -0.53128610 Fe 29.04545630 29.33807656 29.32225541 1.85587795 -0.56158728 -0.56842231 Fe 31.10220684 31.23394348 29.45539449 -0.52824010 -0.59808723 -0.20069698 Fe 31.27111234 29.42458681 31.09606116 -0.52448782 -0.46593145 -0.60360271 Fe 29.30317689 30.90723529 31.31293182 0.19557307 0.14660064 -0.35819875