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=-8.747532561861375 stress="-18.87175174800996 1.3450033852833863 -4.539033452069669 1.3450033852833863 -34.13765336065275 -0.46757466829471106 -4.539033452069669 -0.46757466829471106 -33.31085141147681" pbc="F F F" Zr -0.23077820 -0.21770305 0.02031036 -6.32496821 -11.10492941 -12.43527279 Zr 1.45174604 1.52015752 -0.12029223 1.46052747 12.31229417 -9.87651490 Zr 1.77711528 -0.12128882 1.25213077 8.11348346 -10.80549809 10.75521207 Zr -0.26874888 1.21824351 1.63616082 -3.24904272 9.59813333 11.55657562