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=185017.6914195197 stress="-32177.45765500706 766.2843579402536 14841.597895143026 766.2843579402536 -20648.419055883292 -3393.679409223515 14841.597895143026 -3393.679409223515 -30633.980074721258" pbc="T T T" Zr 0.18663394 0.32413973 -0.24309898 -550809.73452354 -77415.39799592 573131.61963537 Zr 1.53909193 1.49054091 -0.27619215 154092.37378377 180643.56245439 205108.91263577 Zr 1.25739921 0.21826342 1.73129165 534144.36707948 -236048.05057648 -612488.32842927 Zr 0.21027787 1.62963274 1.66209022 -137427.00633971 132819.88611801 -165752.20384187