16 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=-40.99708475367624 stress="0.00030943800644176627 0.00013877842729297454 0.00013106024810629173 0.00013877842729297454 0.0003095550920136729 -1.4622178634550111e-05 0.00013106024810629173 -1.4622178634550111e-05 0.0002871776568899662" pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 1.65837277 1.41605848 1.49990298 Fe 22.70960170 22.31143450 22.33833517 -3.00302662 3.47983901 2.23815558 Fe 23.64028300 20.89839703 21.14041416 1.13579379 -1.44078945 -1.09191331 Fe 25.27812781 22.45624327 22.32834452 -1.22381811 0.82406150 0.82088845 Fe 20.87679405 23.95894820 21.20259391 1.66838676 -1.10217645 1.41453142 Fe 22.56504129 25.20865944 22.36550211 -4.73758274 3.43665631 4.28556190 Fe 23.78802619 24.22277084 21.18584377 4.55713643 -3.93708479 -3.28688323 Fe 25.68362810 25.69581920 22.64685009 -2.30043165 -2.05731232 0.97791548 Fe 21.26959405 21.17626233 23.85402479 1.32519426 1.41251835 -0.53094609 Fe 22.70996341 22.49207130 25.65300231 0.47569427 0.88987363 -2.64656791 Fe 24.03848316 20.95774659 23.69699015 -0.28012217 1.33097351 0.76784094 Fe 25.45789336 22.38825682 25.27041603 -2.07359359 1.07450135 -1.56189380 Fe 21.19178619 24.17895518 24.29140871 1.99019407 -1.18695962 -0.87640498 Fe 22.61455359 25.53253581 25.64904689 0.94617627 -1.91726906 -1.52923460 Fe 23.78091226 24.10609294 23.96603997 1.32138885 -0.98934387 1.23994902 Fe 25.30598025 25.32157598 25.51361598 -1.45976260 -1.23354657 -1.72090185