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=44.51220535938964 stress="-129.09527729374616 9.875730363551824 -17.62670146339608 9.875730363551824 -108.13979054380671 -7.961887797096196 -17.62670146339608 -7.961887797096196 -129.12100656811253" pbc="F F F" Zr 0.19178619 0.17895518 0.29140871 -52.03000680 -45.80729096 -79.74074325 Zr 1.61455359 1.53253581 0.14904689 31.50522568 36.57286721 -25.43364465 Zr 1.28091226 0.10609294 1.46603997 62.50406869 -39.55959861 63.99601124 Zr -0.19401975 1.32157598 1.51361598 -41.97928757 48.79402235 41.17837666