16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-62.585363139728145 stress="-14.556965191369207 3.550601014061911 -0.11362871436442035 3.550601014061911 -22.578364944253103 -5.424342971672751 -0.11362871436442035 -5.424342971672751 -17.034310438008927" pbc="F F F" Ni -0.16903503 0.01169415 -0.06699407 0.40902994 0.33031606 0.58728129 Zr 1.22002482 1.49676954 1.41661558 0.80685883 -2.66958298 0.23960970 Ni 2.96512192 0.22586561 0.29391194 -1.68245597 -1.43887081 -0.92432279 Ni 4.22614529 1.52103145 1.27761356 1.92322386 1.48042187 0.79287136 Ni 0.18220204 2.89362841 0.23573857 -1.55241002 0.85233572 -1.46495314 Zr 1.82701826 4.27538150 1.20296332 -4.71738139 6.69746910 3.69455693 Ni 2.84887301 3.22083292 -0.02471229 4.08286750 -4.72177238 -4.93407946 Ni 4.44196373 4.49627087 1.60688089 0.14462929 0.16889339 0.14033755 Zr 0.18107110 -0.17174679 3.26063678 -0.39854948 -0.84585867 -0.51242552 Zr 1.47421109 1.76120756 4.51193751 0.07160235 -0.78148737 1.97283832 Ni 3.25226748 -0.03568003 3.04396501 -0.73894709 0.56195859 -0.31049594 Zr 4.57236142 1.70379337 4.73854596 0.55889120 -1.94674479 0.29718594 Ni -0.23077820 2.93950102 3.02031036 0.18658008 0.05730180 -0.54449944 Zr 1.68745344 4.52015752 4.14535623 -1.70336836 1.92680096 0.74839937 Zr 3.16219128 2.87871118 2.75213077 1.10298842 -1.71299578 -0.73550837 Zr 4.23125112 4.21824351 4.63616082 1.50644081 2.04181530 0.95320419