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=-0.5660631680030844 stress="-1.1101151305020993 0.08212472988769148 0.06454800983738941 0.08212472988769148 -0.8515262538533235 0.08446110847348115 0.06454800983738941 0.08446110847348115 -0.9146539610394728" pbc="T F F" Ni -0.10637159 0.23573857 0.02724172 -3.74737679 -8.31363086 -8.25204756 Ni 1.27538150 1.20296332 0.22083292 4.23049783 14.26874373 -10.22932300 Ni 1.28984966 0.18107110 1.32825321 3.98210131 -12.20269339 12.40338947 Ni 0.13102478 1.59995250 1.76120756 -4.46522234 6.24758052 6.07798109