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=-4.739968583931504 stress="-7.650183407806731 -0.035435389097825065 -2.947126503488323 -0.035435389097825065 -7.926948683580935 -0.5233032791281533 -2.947126503488323 -0.5233032791281533 -8.575584570279526" pbc="F F F" Ni 0.14302402 -0.14501107 0.11042859 -3.80695159 -3.12918643 -5.24308922 Ni 1.70947124 1.35512851 0.05280714 1.57461543 2.26754193 -1.71281540 Ni 1.41333883 -0.15344509 1.37241235 3.70802246 -2.03654598 4.94084113 Ni -0.17769156 1.41049160 1.22286420 -1.47568630 2.89819048 2.01506349