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=-6.809525731545935 stress="-25.138378328792406 -10.2586671337745 -0.5673015042567808 -10.2586671337745 -28.433309680093593 -11.199128038024947 -0.5673015042567808 -11.199128038024947 -24.05768194240889" pbc="F F F" Ni 0.11042859 0.20947124 -0.14487149 -12.34392318 -19.53933365 -15.68142110 Ni 1.55280714 1.41333883 0.00144273 13.70625084 12.48518162 -1.06119996 Ni 1.37241235 -0.11780616 1.41049160 2.93461365 -3.04068288 5.20554509 Ni -0.27713580 1.43858073 1.25205420 -4.29694131 10.09483491 11.53707597