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=4.5415857984426955 stress="-2.9294966263742706 -1.768582809840341 2.2384135166525936 -1.768582809840341 -7.247924334631791 7.175393035192079 2.2384135166525936 7.175393035192079 -11.155841872711232" free_energy=4.5415857984426955 pbc="T F F"
Zr       0.49790087       0.12876381       0.17417353      -3.60573797     -18.42060602     -16.00306405 
Nb       1.77479266       1.40389038       0.14223686      43.66684612     143.97860408    -184.51083967 
Nb       1.40692346       0.23257448       1.65839896     -37.29462911    -144.00289294     185.30765152 
Zr       0.26458879       1.59540626       1.50762254      -2.76647904      18.44489488      15.20625221