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=-55.51042788488452 stress="-0.0011502390761227994 -0.0002816703325746333 -0.0006081155722841729 -0.0002816703325746333 -0.0015467849157348315 -0.0005312056295086962 -0.0006081155722841729 -0.0005312056295086962 -0.0011682587422088672" free_energy=-55.51042788488452 pbc="F F F" Zr 21.29326255 20.89962354 21.04210903 -7.27534977 -14.17908063 -12.09567719 Zr 22.02011096 22.32071561 22.24190094 8.77304852 12.61105248 11.11330821 Zr 24.37261145 21.27219963 20.93381326 -2.96265857 -4.40808167 -3.34575611 Zr 25.63132919 22.75978669 22.22592512 9.91227798 -2.97844344 6.72693121 Zr 20.78504734 24.19366909 21.20288723 -2.51139439 0.28614751 -2.46216820 Zr 22.58343331 25.29585403 22.44809454 -4.31803797 6.16907427 2.46625048 Zr 24.22094491 24.23171545 21.18190327 -6.44623339 -4.28390627 -15.30423294 Zr 25.32183498 25.71219253 22.42485375 7.20987862 8.99093238 5.18270187 Zr 21.11444005 20.88390571 24.16071562 -2.56082288 -3.48887427 -0.67308399 Zr 22.28114386 22.63362859 25.32702941 5.89129721 -4.09863233 8.57944650 Zr 24.07117031 21.04852473 24.30097596 -1.84787090 -5.13334192 -3.19028497 Zr 25.41561068 22.63661615 25.40480033 5.86723957 0.13531234 5.20438719 Zr 20.87719504 23.94171408 24.11041876 -14.80844471 -2.09031707 -9.75452978 Zr 22.12234504 25.33533445 25.24148635 5.92646813 9.69985301 7.73519642 Zr 24.08611608 24.03369179 24.02598936 -5.29269507 -3.55293501 -5.84675051 Zr 25.22329650 25.46375436 25.40583543 4.44329761 6.32124061 5.66426181