16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-55.507711819582426 stress="-85.26333165696282 -20.870233966546536 -45.05491954174539 -20.870233966546536 -114.63967778175706 -39.355056093805665 -45.05491954174539 -39.355056093805665 -86.59839533794741" pbc="F F F" Zr 0.29326255 -0.10037646 0.04210903 -7.27558411 -14.17951358 -12.09604421 Zr 1.02011096 1.32071561 1.24190094 8.77108393 12.60932824 11.11146729 Zr 3.37261145 0.27219963 -0.06618674 -2.96234010 -4.40883102 -3.34660732 Zr 4.63132919 1.75978669 1.22592512 9.91461054 -2.98021392 6.72440406 Zr -0.21495266 3.19366909 0.20288723 -2.51214641 0.28648827 -2.46280671 Zr 1.58343331 4.29585403 1.44809454 -4.32052939 6.17148246 2.46359840 Zr 3.22094491 3.23171545 0.18190327 -6.44588669 -4.28351014 -15.30768002 Zr 4.32183498 4.71219253 1.42485375 7.21175817 8.99348132 5.18028975 Zr 0.11444005 -0.11609429 3.16071562 -2.56146201 -3.48962390 -0.67277283 Zr 1.28114386 1.63362859 4.32702941 5.88860365 -4.10071309 8.58166232 Zr 3.07117031 0.04852473 3.30097596 -1.84772544 -5.13645165 -3.18984932 Zr 4.41561068 1.63661615 4.40480033 5.86990160 0.13254629 5.20714470 Zr -0.12280496 2.94171408 3.11041876 -14.81114053 -2.09018178 -9.75422457 Zr 1.12234504 4.33533445 4.24148635 5.92358039 9.70182313 7.73704020 Zr 3.08611608 3.03369179 3.02598936 -5.28847898 -3.55044002 -5.84286523 Zr 4.22329650 4.46375436 4.40583543 4.44575537 6.32432936 5.66724348