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=3.51019717953 stress="-10.964408719130173 -3.709211532372666 3.325390884230693 -3.709211532372666 -82.22741022205757 55.92609043003971 3.325390884230693 55.92609043003971 -57.728771965471154" pbc="F F F" Zr 0.00608045 0.20460815 0.33994584 -8.19120115 -25.36776583 -17.54978530 Nb 1.44116743 1.75936034 0.18757726 19.43471820 156.08563893 -133.14387048 Nb 1.35490475 0.27750441 1.45798038 3.31098971 -154.28131073 135.74154992 Zr -0.16775363 1.48638097 1.11779971 -14.55450677 23.56343764 14.95210586