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=-1.3258854701223426 stress="0.5195702053285798 0.01328931665009533 -0.025665123136036475 0.01328931665009533 0.28149564277562544 0.003156508774516289 -0.025665123136036475 0.003156508774516289 0.27422867625968916" pbc="T F F" Ni -0.14568130 0.13572127 0.05791531 -0.18877407 2.79811881 2.18429889 Ni 1.27701462 1.58501927 0.06603388 -0.22361939 -2.39171814 2.59787968 Ni 1.50693356 0.16501753 1.72580078 0.44310718 2.29876146 -2.34734891 Ni -0.12301497 1.68883157 1.49955875 -0.03071372 -2.70516213 -2.43482965