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=658.718145435119 stress="-705.9550373327546 731.8390741190908 118.62139945323594 731.8390741190908 -762.5229495598415 -123.21534379927273 118.62139945323594 -123.21534379927273 -22.419199495560694" free_energy=658.718145435119 pbc="F F T" Zr 0.16351473 0.08411469 2.68774703 -17.53870090 -17.98686773 5.07698080 Zr 1.55771573 1.54299205 2.80843292 17.34487539 17.40499622 3.28058385 Nb 1.45300620 0.11434322 1.48775585 15248.41416841 -15847.04479614 -2568.83074293 Nb 0.20457492 1.41186948 1.69802343 -15248.22034289 15847.62666765 2560.47317828