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=-39.28972630908271 stress="0.00014222843541153758 0.00011606168707892083 0.00017399099252715487 0.00011606168707892083 0.00013198003104925604 -0.00011565969189456557 0.00017399099252715487 -0.00011565969189456557 0.00011418305332321889" pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 1.16446630 0.73238983 0.90206913 Fe 22.70960170 22.31143450 22.33833517 -1.98594278 5.10687040 2.30197182 Fe 23.64028300 20.89839703 21.13492844 1.13963359 -2.38365058 -1.79228617 Fe 25.27812781 22.36005705 22.32834452 -0.77864134 1.45645243 0.30972354 Fe 20.87679405 23.95894820 21.20259391 1.37475114 -1.29849012 1.07624851 Fe 22.56504129 25.20865944 22.36550211 -6.83022000 5.43623251 8.16341490 Fe 23.78802619 24.22277084 21.18584377 7.59950237 -6.51910810 -6.01650269 Fe 25.68362810 25.69581920 22.48825709 -1.72314111 -1.41703325 0.61135605 Fe 21.26959405 21.17626233 23.67070616 0.43519337 0.49121768 0.16001453 Fe 22.62982735 22.49207130 25.65300231 0.71975740 0.66368872 -2.02060556 Fe 24.03848316 20.95774659 23.66248704 -0.80592859 0.56860396 0.88714977 Fe 25.45789336 22.38825682 25.27041603 -1.33481178 0.64725664 -0.96814048 Fe 21.19178619 24.17895518 24.29140871 1.36943137 -0.95873004 -1.15556212 Fe 22.61455359 25.53253581 25.58286015 0.64065110 -0.71082725 -0.27321496 Fe 23.91224145 24.10609294 24.22582666 -0.81947625 -1.65206348 -2.09737055 Fe 25.30598025 25.32157598 25.51361598 -0.16522480 -0.16280935 -0.08826573