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=-42.11707530091017 stress="0.00013788903115863484 4.483417699035764e-05 5.1749250886369726e-05 4.483417699035764e-05 0.00018350268016314823 -7.176872437540533e-06 5.1749250886369726e-05 -7.176872437540533e-06 0.00014915851775851966" pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 0.88991273 0.68546356 0.60664933 Fe 22.70960170 22.31143450 22.33833517 -1.00821772 2.09084820 0.96876297 Fe 23.78829595 20.83509776 21.14041416 0.26455405 -0.52990776 -0.32699249 Fe 25.27812781 22.51878885 22.32834452 -0.40627812 0.59710631 0.74692399 Fe 20.87679405 23.95894820 21.20259391 0.70721175 -0.83663165 0.76848640 Fe 22.56504129 25.20865944 22.36550211 -1.83568538 1.94428062 2.20415671 Fe 23.78802619 24.22277084 21.18584377 2.09379026 -1.73456226 -1.59207687 Fe 25.68362810 25.69581920 22.64685009 -1.53878958 -1.42004237 0.62388143 Fe 21.26959405 21.17626233 23.70601184 0.16396522 0.54335693 0.29252211 Fe 22.70996341 22.49207130 25.65300231 0.32760017 0.60885819 -1.15556670 Fe 24.03848316 20.95774659 23.91852158 -0.47001891 0.71037498 -0.25524056 Fe 25.45789336 22.38825682 25.27041603 -0.76737624 0.96170948 -0.63710842 Fe 21.19178619 24.17895518 24.29140871 0.58817635 -1.20248167 -1.21246949 Fe 22.61455359 25.53253581 25.64904689 0.66820170 -0.70627761 -0.42997621 Fe 23.78091226 24.10609294 23.96603997 0.89907752 -1.03397397 0.32312344 Fe 25.30598025 25.32157598 25.51361598 -0.57612379 -0.67812100 -0.92507564