16 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=-39.4529969636 stress="0.11398141962575599 0.03287415585212422 0.03422388406774911 0.03287415585212422 0.11064049371956468 -0.010280887350183057 0.03422388406774911 -0.010280887350183057 0.10511773597628399" pbc="F F F" Fe -0.14459490 0.11115480 0.11044915 0.91052048 0.62838200 0.68502531 Fe 1.70960170 1.31143450 1.33833517 -1.16391746 1.82942966 0.96676799 Fe 2.64028300 -0.16490224 0.11608958 0.40531672 -0.46081909 -0.08250259 Fe 4.27812781 1.51878885 1.32834452 -0.85630153 0.20056954 0.58882811 Fe -0.12320595 2.95894820 0.20259391 0.82349819 -0.78076676 0.51887592 Fe 1.56504129 4.20865944 1.36550211 -2.02826633 1.72575108 2.01189164 Fe 2.78802619 3.22277084 0.18584377 1.93578337 -1.77983411 -1.20767959 Fe 4.68362810 4.69581920 1.64685009 -1.18580145 -1.03180070 0.45355272 Fe 0.26959405 0.17626233 2.91732405 0.63155218 0.59397326 -0.14844578 Fe 1.70996341 1.49207130 4.65300231 0.32363754 0.39652560 -1.20555182 Fe 3.03848316 -0.04225341 2.91852158 -0.59280668 0.80154772 -0.26737754 Fe 4.45789336 1.38825682 4.27041603 -0.87572155 0.74991849 -0.69587053 Fe 0.19178619 3.17895518 3.29140871 0.78539232 -0.85580980 -0.72362864 Fe 1.61455359 4.53253581 4.64904689 0.58294092 -0.72940720 -0.41378700 Fe 2.78091226 3.10609294 2.96603997 0.93985446 -0.70950227 0.30039216 Fe 4.30598025 4.32157598 4.51361598 -0.63568117 -0.57815742 -0.78049037