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=28.405702999399388 stress="-92.94833764803596 11.945423870488863 -27.14082127597858 11.945423870488863 -68.20083753044834 -14.373055113317413 -27.14082127597858 -14.373055113317413 -104.99858269534357" pbc="F F F" Zr 0.19178619 0.17895518 0.29140871 -43.28799254 -31.90105518 -72.75507436 Zr 1.61455359 1.53253581 0.14904689 17.01781051 18.83660950 -13.67115255 Zr 1.28091226 0.10609294 1.46603997 53.47442684 -22.85203452 54.19601892 Zr -0.19401975 1.32157598 1.51361598 -27.20424481 35.91648020 32.23020800