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=6.1123122344637935 stress="-2.3013358321835984 -0.27714339408095895 0.3386215270773151 -0.27714339408095895 -2.2632656989605557 -0.2825187771767414 0.3386215270773151 -0.2825187771767414 -2.8056162797883366" free_energy=6.1123122344637935 pbc="T F T" Ni -0.23976508 0.24849743 0.25911890 19.98130466 -25.97846288 -22.55255576 Ni 1.69019325 1.69877714 0.16672844 -13.96190016 17.78620075 -2.64678086 Ni 1.63250256 0.10031152 1.55442580 -28.76852636 -22.76808044 12.31520874 Ni -0.14568130 1.28011711 1.63572127 22.74912185 30.96034257 12.88412787