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=-14.6316718205 stress="-1.2760296782765745 -3.2368493416494757 0.391088079494393 -3.2368493416494757 -1.5475550080110991 -0.1632685622975589 0.391088079494393 -0.1632685622975589 -2.5700996878715934" pbc="F F F"
Zr       0.13860270       0.15188098      -0.09885970      -7.89089185      -8.35880311      -2.76042291 
Zr       1.43681206       1.44654105      -0.23986384       7.91938328       7.62109407      -3.43495304 
Nb       1.54004673       0.13522567       1.77579817      -2.94855139       2.89528357       2.41172972 
Nb      -0.03348839       1.52878233       1.58387122       2.92005995      -2.15757453       3.78364623