4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-9.01975963527 stress="-2.6087970220400067 0.767937387961392 -0.23216208276595074 0.767937387961392 -2.631793425524729 -0.28626609493746347 -0.23216208276595074 -0.28626609493746347 -2.4998353290850326" pbc="F F F" Ni -0.17842402 0.01361598 -0.14801295 -2.60183597 -2.76130694 -4.52350218 Ni 1.47567541 1.56329927 -0.06254558 1.83442285 2.39583051 -2.25167420 Ni 1.27846858 -0.00548572 1.34126820 5.27215113 -4.93930849 3.15627275 Ni -0.15859300 1.31668137 1.41986395 -4.50473801 5.30478492 3.61890364