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=5.68526908891611 stress="-1.705320940809207 -0.36358201889305636 0.4109335257538297 -0.36358201889305636 -2.1876751277801496 -0.7142256095044957 0.4109335257538297 -0.7142256095044957 -2.2760601281931003" pbc="F T F" Ni 0.02278034 0.18407183 0.06109240 -15.85850075 -15.77524218 -20.45004113 Ni 1.20032005 1.63412116 0.04810421 26.42258420 0.81444564 -27.65851435 Ni 1.45353077 -0.15533360 1.46448728 11.88600069 5.58498925 12.72179174 Ni 0.11524669 1.36267039 1.28303776 -22.45008414 9.37580730 35.38676375