16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-64.18794247088714 stress="-0.0009420531482716541 -1.95965649577965e-05 -8.241728801104185e-05 -1.95965649577965e-05 -0.000977157968114841 3.411107029742275e-05 -8.241728801104185e-05 3.411107029742275e-05 -0.0009685242807172654" free_energy=-64.18794247088714 pbc="F F F" Zr 20.87503672 21.12056598 20.74190094 0.28266591 -1.09789213 -0.27764682 Zr 22.59073906 22.77219963 22.43381326 -6.56465896 -7.47280642 -7.49718294 Zr 24.41320158 21.25978669 20.72592512 -0.50639325 -1.24819217 -1.85478445 Zr 25.28504734 22.68365717 22.70288723 10.75266203 -0.09215068 -4.34959329 Zr 21.08343331 23.79585403 20.94809454 -4.66235606 2.97285094 -4.65904300 Zr 22.72094491 25.73171545 22.68190327 -2.56463011 6.29495378 -2.25739822 Zr 23.82183498 24.21219253 20.92485375 2.01622585 1.89068735 -5.40800087 Zr 25.62990665 25.28220450 22.79279389 2.55180857 2.17055104 -0.46552105 Zr 21.06210000 21.13362859 23.81156281 -2.17748811 -2.44367791 0.12712624 Zr 22.57034430 22.65022594 25.55473499 -1.89942139 -1.75970089 5.41696268 Zr 23.79354433 21.13661615 23.62384419 -0.31367527 -10.76980388 4.21643699 Zr 25.37719504 22.29951608 25.61041876 1.73015284 -0.07397914 1.70104555 Zr 20.76735611 23.83533445 23.74148635 -4.09374527 1.81628950 1.42336476 Zr 22.58611608 25.53369179 25.52598936 -1.57557633 1.82875541 1.97925018 Zr 23.72329650 23.96375436 23.90583543 5.67865067 7.66116775 10.80346495 Zr 25.25559716 25.44802570 25.65373720 1.34577886 0.32294745 1.10151931