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=-55.5078173382482 pbc="F F F"
Zr       0.29326255      -0.10037646       0.04210903       40      -7.27557508     -14.17949692     -12.09602999 
Zr       1.02011096       1.32071561       1.24190094       40       8.77116025      12.60939517      11.11153888 
Zr       3.37261145       0.27219963      -0.06618674       40      -2.96235233      -4.40880205      -3.34657434 
Zr       4.63132919       1.75978669       1.22592512       40       9.91451975      -2.98014505       6.72450241 
Zr      -0.21495266       3.19366909       0.20288723       40      -2.51211733       0.28647516      -2.46278205 
Zr       1.58343331       4.29585403       1.44809454       40      -4.32043235       6.17138874       2.46370152 
Zr       3.22094491       3.23171545       0.18190327       40      -6.44590005      -4.28352545     -15.30754623 
Zr       4.32183498       4.71219253       1.42485375       40       7.21168508       8.99338232       5.18038333 
Zr       0.11444005      -0.11609429       3.16071562       40      -2.56143721      -3.48959487      -0.67278497 
Zr       1.28114386       1.63362859       4.32702941       40       5.88870847      -4.10063225       8.58157609 
Zr       3.07117031       0.04852473       3.30097596       40      -1.84773107      -5.13633090      -3.18986626 
Zr       4.41561068       1.63661615       4.40480033       40       5.86979824       0.13265369       5.20703760 
Zr      -0.12280496       2.94171408       3.11041876       40     -14.81103628      -2.09018691      -9.75423633 
Zr       1.12234504       4.33533445       4.24148635       40       5.92369248       9.70174676       7.73696878 
Zr       3.08611608       3.03369179       3.02598936       40      -5.28864261      -3.55053695      -5.84301628 
Zr       4.22329650       4.46375436       4.40583543       40       4.44566005       6.32420949       5.66712784