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=-39.45299696358688 stress="0.00016413619732147933 4.733963613927583e-05 4.928327973888639e-05 4.733963613927583e-05 0.0001593251774589832 -1.4804744144178888e-05 4.928327973888639e-05 -1.4804744144178888e-05 0.0001513722632236084" free_energy=-39.45299696358688 pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 0.91052048 0.62838200 0.68502531 Fe 22.70960170 22.31143450 22.33833517 -1.16391746 1.82942966 0.96676799 Fe 23.64028300 20.83509776 21.11608958 0.40531672 -0.46081909 -0.08250259 Fe 25.27812781 22.51878885 22.32834452 -0.85630153 0.20056954 0.58882811 Fe 20.87679405 23.95894820 21.20259391 0.82349819 -0.78076676 0.51887592 Fe 22.56504129 25.20865944 22.36550211 -2.02826633 1.72575108 2.01189164 Fe 23.78802619 24.22277084 21.18584377 1.93578337 -1.77983411 -1.20767959 Fe 25.68362810 25.69581920 22.64685009 -1.18580145 -1.03180070 0.45355272 Fe 21.26959405 21.17626233 23.91732405 0.63155218 0.59397326 -0.14844578 Fe 22.70996341 22.49207130 25.65300231 0.32363754 0.39652560 -1.20555182 Fe 24.03848316 20.95774659 23.91852158 -0.59280668 0.80154772 -0.26737754 Fe 25.45789336 22.38825682 25.27041603 -0.87572155 0.74991849 -0.69587053 Fe 21.19178619 24.17895518 24.29140871 0.78539232 -0.85580980 -0.72362864 Fe 22.61455359 25.53253581 25.64904689 0.58294092 -0.72940720 -0.41378700 Fe 23.78091226 24.10609294 23.96603997 0.93985446 -0.70950227 0.30039216 Fe 25.30598025 25.32157598 25.51361598 -0.63568117 -0.57815742 -0.78049037