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=-8.84643297768 stress="-3.9800374140987786 0.06425445253313294 -0.2667320915474372 0.06425445253313294 -2.6795196448577863 -0.253003406521098 -0.2667320915474372 -0.253003406521098 -3.226651101495215" pbc="F F F" Ni 0.27219963 -0.06618674 0.13132919 -5.70539842 -5.78601356 -4.89297048 Ni 1.75978669 1.22592512 -0.21495266 3.78269163 4.24894708 -3.67001943 Ni 1.68365717 0.20288723 1.58343331 7.24774344 -3.75686276 5.25590170 Ni 0.02756949 1.26992952 1.64579866 -5.32503665 5.29392923 3.30708821