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=-73.60923800524785 stress="0.00036882197822287214 0.00014702117307223176 0.00034321019616022575 0.00014702117307223176 0.00044865774563058715 8.577667978598742e-05 0.00034321019616022575 8.577667978598742e-05 0.00027329759157569325" free_energy=-73.60923800524785 pbc="F F F" Zr 20.70193606 20.79106199 21.44571111 2.20822540 0.97484695 -1.63328155 Zr 22.70408111 22.51855009 22.24860875 -0.91273786 -4.74662814 1.69409515 Nb 24.03691384 20.70677130 21.07736569 -2.99182933 5.05376295 4.50378726 Zr 25.48588101 22.64977756 22.59364432 2.23775965 -3.43715878 1.50589763 Zr 21.27354104 24.02856125 21.13602211 -3.91399262 -0.03663524 -2.01141433 Nb 22.11557871 25.79497883 22.29599801 1.58303988 -2.46501664 3.82122360 Zr 23.81113270 23.97049519 20.96247704 3.05777573 1.63143273 -4.29092942 Zr 25.57328550 25.30691229 22.64845709 0.83208710 1.98763310 1.02537940 Zr 20.93253950 20.95311236 23.76708307 0.25685760 -0.17239072 1.70249438 Nb 22.50795817 22.26680101 25.40920482 -5.03096156 6.35053257 5.87362182 Nb 23.73108817 21.19215061 24.16717744 11.87561994 -3.89738002 -3.13924338 Nb 25.64995810 22.25491735 25.66523617 -8.34281733 5.16687829 -8.38697901 Nb 20.88290997 24.00596039 23.85131337 2.09153330 0.53064143 -1.09647948 Zr 22.68360837 25.74700436 25.61224407 2.36682299 -1.66347997 -1.61614056 Nb 23.86975542 24.14592855 23.82706660 2.14060289 4.71386216 7.51641575 Nb 25.70359985 25.25068542 25.22822113 -7.45798575 -9.99090068 -5.46844727