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=-42.93510505451823 stress="0.0001060167661482132 7.541729693786418e-05 5.749672688593011e-05 7.541729693786418e-05 0.00017130538524628682 -2.5316126582466795e-05 5.749672688593011e-05 -2.5316126582466795e-05 0.00013086971606472806" pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 1.12664372 0.88305643 0.83590495 Fe 22.70960170 22.31143450 22.33833517 -2.21654140 3.01236618 1.31259484 Fe 23.78829595 20.83509776 21.14041416 0.27615992 -1.27456874 -0.75404688 Fe 25.13011487 22.51878885 22.32834452 0.90260277 0.60985397 0.88740873 Fe 20.87679405 23.95894820 21.20259391 0.91787068 -1.24754938 0.79625430 Fe 22.56504129 25.20865944 22.36550211 -4.53052594 4.36248616 2.67412855 Fe 23.78802619 24.22277084 21.18584377 3.48979901 -2.71043460 -3.40766902 Fe 25.68362810 25.69581920 22.64685009 -1.98837969 -1.69390794 0.72501209 Fe 21.26959405 21.17626233 23.82970020 0.32872397 0.64706502 0.18537886 Fe 22.70996341 22.49207130 25.65300231 0.53409083 0.81657145 -1.61960235 Fe 24.03848316 20.95774659 23.91852158 -0.98261785 0.51571100 -0.31889208 Fe 25.45789336 22.38825682 25.27041603 -1.08821367 1.54531132 -0.83487094 Fe 21.19178619 24.17895518 24.29140871 0.45079052 -1.81996720 -1.69339426 Fe 22.61455359 25.53253581 25.58650132 1.24200043 -0.73024820 -0.44554863 Fe 23.78091226 24.10609294 23.74450855 2.28913331 -1.96135437 3.02264894 Fe 25.30598025 25.32157598 25.51361598 -0.75153662 -0.95439111 -1.36530710