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=64.99870931402592 stress="-8.895611426571387 0.8502301224532607 -0.40064834407488226 0.8502301224532607 -6.258815470106913 0.04651374201279695 -0.40064834407488226 0.04651374201279695 -5.779545931331612" pbc="T F F" Zr -0.06254558 0.09073906 0.27219963 -13.20056405 -64.61463327 -67.37161104 Zr 1.43381326 1.63132919 0.25978669 12.24378288 50.70948496 -52.12828820 Zr 1.22592512 0.18365717 1.70288723 38.63695095 -66.63225332 58.40572298 Zr 0.08343331 1.29585403 1.44809454 -37.68016978 80.53740162 61.09417626