16
Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-55.507711819582596 pbc="F F F"
Zr       0.29326255      -0.10037646       0.04210903       40      -7.27558411     -14.17951358     -12.09604421 
Zr       1.02011096       1.32071561       1.24190094       40       8.77108393      12.60932824      11.11146729 
Zr       3.37261145       0.27219963      -0.06618674       40      -2.96234010      -4.40883102      -3.34660732 
Zr       4.63132919       1.75978669       1.22592512       40       9.91461054      -2.98021392       6.72440406 
Zr      -0.21495266       3.19366909       0.20288723       40      -2.51214641       0.28648827      -2.46280671 
Zr       1.58343331       4.29585403       1.44809454       40      -4.32052939       6.17148246       2.46359840 
Zr       3.22094491       3.23171545       0.18190327       40      -6.44588669      -4.28351014     -15.30768002 
Zr       4.32183498       4.71219253       1.42485375       40       7.21175817       8.99348132       5.18028975 
Zr       0.11444005      -0.11609429       3.16071562       40      -2.56146201      -3.48962390      -0.67277283 
Zr       1.28114386       1.63362859       4.32702941       40       5.88860365      -4.10071309       8.58166232 
Zr       3.07117031       0.04852473       3.30097596       40      -1.84772544      -5.13645165      -3.18984932 
Zr       4.41561068       1.63661615       4.40480033       40       5.86990160       0.13254629       5.20714470 
Zr      -0.12280496       2.94171408       3.11041876       40     -14.81114053      -2.09018178      -9.75422457 
Zr       1.12234504       4.33533445       4.24148635       40       5.92358039       9.70182313       7.73704020 
Zr       3.08611608       3.03369179       3.02598936       40      -5.28847898      -3.55044002      -5.84286523 
Zr       4.22329650       4.46375436       4.40583543       40       4.44575537       6.32432936       5.66724348