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:Z:I:1:forces:R:3 energy=26.103860948 pbc="F T T" Zr -0.05182347 0.09784914 0.09489104 40 -23.96396639 -2.46648058 -14.65421503 Zr 1.70902946 1.29590009 0.13046785 40 23.51446725 24.59710132 -25.49793926 Zr 1.45874788 0.17496302 1.23417086 40 19.44782368 -23.66751148 28.88782326 Zr 0.00888771 1.62293847 1.42037444 40 -18.99832454 1.53689074 11.26433103