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=-4.581401762015552 stress="-2.696556309666476 0.0485013230950379 0.024717661653234663 0.0485013230950379 -1.8594148777401256 -0.042131889377653005 0.024717661653234663 -0.042131889377653005 -1.9098104644583547" pbc="T F F" Ni 0.08501927 0.06603388 0.00693356 -2.03322203 -13.55603408 -18.79385048 Ni 1.66501753 1.72580078 0.18883157 2.01737112 18.19630548 -14.69441309 Ni 1.49955875 0.04313966 1.44832183 3.28766787 -18.61700683 15.01763200 Ni 0.25980354 1.46667242 1.77143892 -3.27181696 13.97673543 18.47063157