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=282.6166628465324 stress="-42.613420696372714 0.0493418179369665 -0.7250680088821488 0.0493418179369665 -43.64952342143401 0.06543725280297029 -0.7250680088821488 0.06543725280297029 -43.56462020299048" pbc="T T T" Zr -0.14459490 0.11115480 0.11044915 34.15961783 -41.79147140 -8.49895746 Zr 1.70960170 1.31143450 -0.16166483 -56.16123774 45.61795892 10.56458343 Zr 1.28829595 0.03769167 1.64041416 -13.85930875 -27.08907948 -16.42978232 Zr -0.22187219 1.51878885 1.32834452 35.86092866 23.26259196 14.36415635