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=87.61957980323227 stress="-8.710932026367738 0.8638030136637977 -0.7812922600334041 0.8638030136637977 -8.412822253045992 -0.26607747630195916 -0.7812922600334041 -0.26607747630195916 -8.215953002505312" pbc="T T T" Zr -0.14459490 0.11115480 -0.01275680 29.64464014 -30.04208167 -10.56786452 Zr 1.70960170 1.31143450 0.04092907 -48.95899858 25.55681034 -28.87187459 Zr 1.28829595 -0.09986095 1.34907360 -5.51670390 -4.01490676 8.52850139 Zr -0.22187219 1.51878885 1.32834452 24.83106234 8.50017809 30.91123772