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=-40.997084753676226 stress="22.925643021257688 10.281816121281942 9.709991661698911 10.281816121281942 22.93431765710894 -1.083327970676602 9.709991661698911 -1.083327970676602 21.276418243663798" pbc="F F F" Fe -0.14459490 0.11115480 0.11044915 1.65837277 1.41605848 1.49990298 Fe 1.70960170 1.31143450 1.33833517 -3.00302662 3.47983901 2.23815558 Fe 2.64028300 -0.10160297 0.14041416 1.13579379 -1.44078945 -1.09191331 Fe 4.27812781 1.45624327 1.32834452 -1.22381811 0.82406150 0.82088845 Fe -0.12320595 2.95894820 0.20259391 1.66838676 -1.10217645 1.41453142 Fe 1.56504129 4.20865944 1.36550211 -4.73758274 3.43665631 4.28556190 Fe 2.78802619 3.22277084 0.18584377 4.55713643 -3.93708479 -3.28688323 Fe 4.68362810 4.69581920 1.64685009 -2.30043165 -2.05731232 0.97791548 Fe 0.26959405 0.17626233 2.85402479 1.32519426 1.41251835 -0.53094609 Fe 1.70996341 1.49207130 4.65300231 0.47569427 0.88987363 -2.64656791 Fe 3.03848316 -0.04225341 2.69699015 -0.28012217 1.33097351 0.76784094 Fe 4.45789336 1.38825682 4.27041603 -2.07359359 1.07450135 -1.56189380 Fe 0.19178619 3.17895518 3.29140871 1.99019407 -1.18695962 -0.87640498 Fe 1.61455359 4.53253581 4.64904689 0.94617627 -1.91726906 -1.52923460 Fe 2.78091226 3.10609294 2.96603997 1.32138885 -0.98934387 1.23994902 Fe 4.30598025 4.32157598 4.51361598 -1.45976260 -1.23354657 -1.72090185