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=51.15251546983348 stress="-136.61755580108942 12.813736916668773 -23.478277256767953 12.813736916668773 -115.14079251091081 -12.06833654766541 -23.478277256767953 -12.06833654766541 -141.11401266621317" pbc="F F F" Zr 0.19178619 0.17895518 0.29140871 -56.69539873 -49.89203319 -90.07046790 Zr 1.61455359 1.53253581 0.14904689 31.16056918 37.28475430 -25.19267870 Zr 1.28091226 0.10609294 1.46603997 69.24712594 -41.35601278 70.36989171 Zr -0.19401975 1.32157598 1.51361598 -43.71229639 53.96329167 44.89325490