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=109.66444977423517 stress="-13.97297200593683 0.016531472689342762 -0.22590904955806249 0.016531472689342762 -8.53701779907967 -0.14931768902516224 -0.22590904955806249 -0.14931768902516224 -15.377061952653836" pbc="T F T" Zr 0.03848316 0.19178619 0.17895518 30.62988704 -83.20805945 -30.37995798 Zr 1.79140871 1.61455359 0.09583508 -45.85964951 86.35910776 -15.74186642 Zr 1.64904689 0.10609294 1.46603997 -39.15713587 -91.47851143 21.12688830 Zr -0.19401975 1.32157598 1.51361598 54.38689834 88.32746313 24.99493611