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=-40.83193314100808 stress="0.00011717621732520855 5.676630334436392e-05 6.0937632904352255e-05 5.676630334436392e-05 0.00016009799662631912 -3.1949545195575706e-05 6.0937632904352255e-05 -3.1949545195575706e-05 0.00013113897470479923" pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 0.74518551 0.64794895 0.62930329 Fe 22.70960170 22.31143450 22.33833517 -1.30461769 2.40458727 1.61878258 Fe 23.64028300 20.83509776 21.14041416 0.65737138 -1.02749959 -0.69509193 Fe 25.27812781 22.51878885 22.32834452 -0.45855348 0.54958960 0.73921413 Fe 20.87679405 23.95894820 21.20259391 0.67257118 -0.83999334 0.74425565 Fe 22.56504129 25.20865944 22.36550211 -2.41497730 2.46623762 2.78971330 Fe 23.78802619 24.22277084 21.18584377 2.69022816 -2.21046895 -2.19785758 Fe 25.68362810 25.69581920 22.64685009 -1.49512199 -1.38244285 0.58922936 Fe 21.26959405 21.17626233 23.82970020 0.29751070 0.63174481 0.00324091 Fe 22.70996341 22.49207130 25.65300231 0.30499644 0.60002380 -1.04541043 Fe 24.03848316 20.95774659 23.98182084 -0.59875076 0.68918089 -0.47876516 Fe 25.45789336 22.38825682 25.27041603 -0.62985188 0.99872904 -0.53377656 Fe 21.19178619 24.17895518 24.29140871 0.53387136 -1.19813918 -1.19399107 Fe 22.61455359 25.53253581 25.64904689 0.66788243 -0.64196594 -0.38335512 Fe 23.78091226 24.10609294 23.96603997 0.87772490 -1.05132628 0.28508567 Fe 25.30598025 25.32157598 25.51361598 -0.54546897 -0.63620584 -0.87057701