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=17.417056066905374 stress="-91.89076821599693 1.076362188650382 -3.899042888393744 1.076362188650382 -85.70997918513207 0.9769353545613839 -3.899042888393744 0.9769353545613839 -89.30303938078367" pbc="F F F" Zr -0.14801295 -0.02432459 0.06329927 -36.55812743 -26.46706889 -34.55567366 Zr 1.43745442 1.27846858 -0.00548572 26.62006333 32.18548901 -28.24504899 Zr 1.34126820 -0.15859300 1.31668137 34.48066344 -36.38462184 31.24932859 Zr -0.08013605 1.24396547 1.59073906 -24.54259934 30.66620172 31.55139406