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=89166.4209427 stress="-995421.9647835093 912536.0527020579 -145455.97712816516 912536.0527020579 -836578.0543211881 133346.46484048665 -145455.97712816516 133346.46484048665 -21268.400352739078" pbc="F F F" Zr 0.49274881 0.01673378 0.29310121 -11.76682095 -20.76747896 -12.47191153 Zr 1.34431306 1.47789820 0.22279910 13.61057228 18.89827699 -13.22359159 Nb 1.41348260 0.25974725 1.72691099 2190532.90722535 -2008155.39099008 320108.49188284 Nb 0.19215431 1.37939208 1.54844216 -2190534.75097669 2008157.26019204 -320082.79637972