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=-0.8800843251004407 stress="-13.505882584609886 -0.14841111884680647 -0.17553981246832961 -0.14841111884680647 -13.345957362090036 0.2815618262771684 -0.17553981246832961 0.2815618262771684 -13.562291647812884" pbc="F F F" Ni -0.02335587 0.24122900 0.02201293 -5.95152503 -4.87659435 -5.58497976 Ni 1.31634348 1.42534241 -0.01433724 5.46953742 5.15103574 -5.34557662 Ni 1.31443107 0.04376171 1.22051529 5.41520836 -5.96699227 4.43522999 Ni 0.19273990 1.30722932 1.26172667 -4.93322075 5.69255089 6.49532639