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=-55.50068749828737 stress="-0.0011504380465958426 -0.00028167652559352223 -0.0006081037592531275 -0.00028167652559352223 -0.0015469869815247829 -0.0005312092638242485 -0.0006081037592531275 -0.0005312092638242485 -0.0011684510961023648" free_energy=-55.50068749828737 pbc="F F F" Zr 21.29326255 20.89962354 21.04210903 -7.27557656 -14.17931366 -12.09594960 Zr 22.02011096 22.32071561 22.24190094 8.77278167 12.61035391 11.11263972 Zr 24.37261145 21.27219963 20.93381326 -2.96245574 -4.40884497 -3.34644637 Zr 25.63132919 22.75978669 22.22592512 9.91313192 -2.97843300 6.72659399 Zr 20.78504734 24.19366909 21.20288723 -2.51224046 0.28649668 -2.46297932 Zr 22.58343331 25.29585403 22.44809454 -4.31846050 6.17028101 2.46593504 Zr 24.22094491 24.23171545 21.18190327 -6.44549258 -4.28371965 -15.30499074 Zr 25.32183498 25.71219253 22.42485375 7.21044076 8.99158265 5.18216606 Zr 21.11444005 20.88390571 24.16071562 -2.56154804 -3.48982500 -0.67277959 Zr 22.28114386 22.63362859 25.32702941 5.89075927 -4.09862602 8.58039291 Zr 24.07117031 21.04852473 24.30097596 -1.84758680 -5.13450232 -3.19022578 Zr 25.41561068 22.63661615 25.40480033 5.86815837 0.13499532 5.20524071 Zr 20.87719504 23.94171408 24.11041876 -14.80908329 -2.09003983 -9.75374210 Zr 22.12234504 25.33533445 25.24148635 5.92582797 9.70048946 7.73575094 Zr 24.08611608 24.03369179 24.02598936 -5.29222372 -3.55251709 -5.84622816 Zr 25.22329650 25.46375436 25.40583543 4.44356772 6.32162252 5.66462230