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=-40.59656980246532 stress="0.00031156872978951243 6.791016600437158e-06 9.454256615557241e-09 6.791016600437158e-06 0.0003164804837807394 2.456692211786657e-05 9.454256615557241e-09 2.456692211786657e-05 0.00032363513729069315" pbc="F F F" Ni 21.05280714 20.91333883 20.84655491 0.98535486 1.04309219 1.10770216 Ni 22.37241235 22.32230844 22.41049160 0.81778879 0.77215019 0.95901789 Ni 23.72286420 20.93858073 20.75205420 -0.46359958 1.37157595 1.39494794 Ni 25.65488783 22.38813862 22.20245745 -1.24519486 0.45548033 0.24345916 Ni 21.16431082 23.81425730 20.98844065 0.77446568 -0.59619581 0.79981081 Ni 22.53277713 25.39971974 22.37366136 0.45495747 -0.93148049 1.37537237 Ni 23.96097674 23.91321786 21.21813893 -0.47786936 -1.02318789 0.49096895 Ni 25.26716069 25.69410236 22.33096497 -1.15048378 -1.22772959 0.89789066 Ni 20.88201197 20.93300593 23.72002482 0.90345793 0.98146771 -0.53947824 Ni 22.27696427 22.41661558 25.46512192 0.76285426 0.87520466 -1.98655980 Ni 24.22586561 21.29391194 23.82609779 -1.05442568 0.56077590 -0.17112013 Ni 25.52103145 22.27761356 25.68220204 -0.98885053 1.10810705 -0.89023397 Ni 20.89362841 24.23573857 24.02724172 0.38482859 -1.78746722 -1.79040937 Ni 22.27538150 25.20296332 25.34887301 2.19318962 -0.54467902 -0.24112594 Ni 24.22083292 23.78984966 23.98735431 -0.77920179 0.26528510 -0.52767372 Ni 25.42299150 25.40698366 25.68107110 -1.11727161 -1.32239907 -1.12256879