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=-6.062992107591291 stress="0.19177849796451357 0.3507899586500119 -0.36201858935392633 0.3507899586500119 0.6341263230092218 -0.45644218987076235 -0.36201858935392633 -0.45644218987076235 2.324310500229566" pbc="F F F" H 0.28740593 0.26120756 0.01193751 0.08078449 0.22719145 0.61573436 H 1.75226748 1.46431997 0.04396501 -0.29842090 -0.49861151 0.81692255 Ni 1.57236142 0.20379337 1.73854596 0.19840667 0.28871927 -0.86829875 Ni -0.21062068 1.28229695 1.52031036 0.01922975 -0.01729921 -0.56435817