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=4.193510698429357 stress="-1.8821360530698608 -0.6760630825055802 -0.1844330719957267 -0.6760630825055802 -2.502299346668818 0.4627294928949536 -0.1844330719957267 0.4627294928949536 -1.6427119812474176" free_energy=4.193510698429357 pbc="T T F" Ni 2.70865944 2.86550211 0.22277084 20.23510950 24.06013568 -16.01630433 Ni 1.68584377 1.68362810 0.19581920 -25.48395510 -14.97228086 -16.76838333 Ni 1.64685009 0.42259636 1.67626233 -12.86437763 -7.39453135 12.42010745 Ni 2.85402479 1.70996341 1.49207130 18.11322323 -1.69332348 20.36458021