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=-40.997084282195175 stress="0.000309438323465132 0.0001387771179284345 0.0001310570938414793 0.0001387771179284345 0.00030954836024648226 -1.4623087069886832e-05 0.0001310570938414793 -1.4623087069886832e-05 0.00028717372508588765" pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 1.65839821 1.41606144 1.49997638 Fe 22.70960170 22.31143450 22.33833517 -3.00308065 3.47974435 2.23799128 Fe 23.64028300 20.89839703 21.14041416 1.13572103 -1.44061988 -1.09181100 Fe 25.27812781 22.45624327 22.32834452 -1.22370178 0.82410478 0.82085913 Fe 20.87679405 23.95894820 21.20259391 1.66845923 -1.10217986 1.41462091 Fe 22.56504129 25.20865944 22.36550211 -4.73759417 3.43664857 4.28551751 Fe 23.78802619 24.22277084 21.18584377 4.55705655 -3.93714802 -3.28700107 Fe 25.68362810 25.69581920 22.64685009 -2.30042864 -2.05732416 0.97790519 Fe 21.26959405 21.17626233 23.85402479 1.32508085 1.41236848 -0.53109456 Fe 22.70996341 22.49207130 25.65300231 0.47581231 0.88991668 -2.64655652 Fe 24.03848316 20.95774659 23.69699015 -0.28008543 1.33086945 0.76788519 Fe 25.45789336 22.38825682 25.27041603 -2.07361500 1.07443481 -1.56184188 Fe 21.19178619 24.17895518 24.29140871 1.99019243 -1.18689120 -0.87640723 Fe 22.61455359 25.53253581 25.64904689 0.94622226 -1.91718042 -1.52919090 Fe 23.78091226 24.10609294 23.96603997 1.32137949 -0.98929494 1.23995566 Fe 25.30598025 25.32157598 25.51361598 -1.45981670 -1.23351008 -1.72080807