108 Lattice="13.236266132497736 0.0 0.0 0.0 13.236266132497736 0.0 0.0 0.0 13.236266132497736" Properties=species:S:1:pos:R:3:forces:R:3 energy=-594.6693972534061 stress="-0.004074283682835343 0.0005369029104863429 -0.0006825066851516802 0.0005369029104863429 -0.004746081132117576 -0.0002526043673391077 -0.0006825066851516802 -0.0002526043673391077 -0.00425449524313341" free_energy=-594.6693972534061 pbc="F F F" Zr 0.02311245 0.02732041 0.03540668 0.49876148 0.51450435 0.56243885 Zr 2.16717399 2.23671409 0.01388719 0.28365147 -0.14187107 -0.28805553 Zr 2.24646315 0.02155059 2.20631585 -0.29968040 -0.32453177 0.02976595 Zr 0.01792812 2.24497487 2.23320822 -0.39944693 -0.35191710 -0.10587456 Zr 4.39345369 0.04161764 0.02118905 0.10963378 0.26423349 0.16551897 Zr 6.63151772 2.23489534 0.02428061 -0.06329831 -0.34068466 -0.42940062 Zr 6.65139363 0.02066083 2.21980811 -0.29875389 -0.53010257 -0.16445093 Zr 4.39061949 2.23780742 2.23269629 0.27327347 -0.37267700 -0.30188117 Zr 8.83820797 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