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:Z:I:1:forces:R:3 energy=81.92059775564468 pbc="T F F"
Zr       0.03277713      -0.10028026      -0.12633864       40     -25.88675582     -49.38745717     -46.86458268 
Zr       1.23794100       1.28219307       0.21813893       40      64.38376359      72.79075684    -112.13033274 
Zr       1.18377627       0.19410236       1.33096497       40      39.83861415     -97.12252562      85.54085045 
Zr       0.10787758       1.43300593       1.22002482       40     -78.33562191      73.71922595      73.45406497