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=21.53127295729063 stress="-90.95025586605459 1.5310543724236316 -6.039103766204754 1.5310543724236316 -86.28786750392767 1.4713255506196674 -6.039103766204754 1.4713255506196674 -89.62522613037383" pbc="F F F" Zr -0.14801295 -0.02432459 0.06329927 -36.85030646 -26.29070087 -35.34432556 Zr 1.43745442 1.27846858 -0.00548572 25.46281561 32.42356319 -27.87674232 Zr 1.34126820 -0.15859300 1.31668137 35.04059111 -36.95027372 32.32403408 Zr -0.08013605 1.24396547 1.59073906 -23.65310026 30.81741140 30.89703380