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=17.41705606804356 stress="-91.89076649056608 1.0763628677680295 -3.899044251850306 1.0763628677680295 -85.70997600294469 0.9769356064857888 -3.899044251850306 0.9769356064857888 -89.30303844229364" pbc="F F F" Zr -0.14801295 -0.02432459 0.06329927 -36.55812706 -26.46706752 -34.55567376 Zr 1.43745442 1.27846858 -0.00548572 26.62006210 32.18548768 -28.24504836 Zr 1.34126820 -0.15859300 1.31668137 34.48066356 -36.38462084 31.24932887 Zr -0.08013605 1.24396547 1.59073906 -24.54259860 30.66620068 31.55139325