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=-39.3048672447 stress="0.12425016690249378 0.03257698160654114 0.03825662929180562 0.03257698160654114 0.11507028652808746 -0.0079489763408851 0.03825662929180562 -0.0079489763408851 0.11077335056267495" pbc="F F F" Fe -0.14459490 0.11115480 0.11044915 1.01731904 0.62239475 0.70698001 Fe 1.70960170 1.31143450 1.33833517 -1.17726530 2.11068669 0.86112294 Fe 2.64028300 -0.16490224 0.14041416 0.41516985 -0.58462325 -0.02215489 Fe 4.27812781 1.51878885 1.32834452 -0.91788298 0.22989851 0.64097318 Fe -0.12320595 2.95894820 0.20259391 0.89760303 -0.87147433 0.55009510 Fe 1.56504129 4.20865944 1.36550211 -1.97465220 1.86956920 2.05771758 Fe 2.78802619 3.22277084 0.18584377 1.86498555 -1.82008883 -1.25244386 Fe 4.68362810 4.69581920 1.64685009 -1.21452688 -1.06672361 0.50834050 Fe 0.26959405 0.17626233 2.82970020 0.62749451 0.59756893 0.02414308 Fe 1.70996341 1.49207130 4.65300231 0.32619675 0.44358733 -1.24935487 Fe 3.03848316 -0.04225341 2.91852158 -0.63899677 0.81009769 -0.30759370 Fe 4.45789336 1.38825682 4.27041603 -0.95535153 0.78316427 -0.79900920 Fe 0.19178619 3.17895518 3.29140871 0.82921743 -0.88487865 -0.79352814 Fe 1.61455359 4.53253581 4.64904689 0.61169483 -0.90327058 -0.40970646 Fe 2.78091226 3.10609294 2.96603997 0.97928526 -0.72875526 0.33881586 Fe 4.30598025 4.32157598 4.51361598 -0.69029060 -0.60715283 -0.85439713