108 Lattice="13.120480596666953 0.0 0.0 0.0 13.120480596666953 0.0 0.0 0.0 13.120480596666953" Properties=species:S:1:pos:R:3:forces:R:3 energy=-608.6085818757289 stress="-0.0035357895142984373 8.814543843389824e-06 -0.00026270102219670395 8.814543843389824e-06 -0.003408392812871214 -0.0001300154882006436 -0.00026270102219670395 -0.0001300154882006436 -0.003573938227183301" free_energy=-608.6085818757289 pbc="F F F" Zr 0.03316076 0.02961304 0.01144054 0.55582247 0.65366083 0.55654805 Zr 2.21689305 2.21510188 0.00070407 -0.25780304 -0.21468292 -0.39796340 Zr 2.12287130 0.02353813 2.16027261 0.18401726 -0.44711630 0.00949124 Zr 0.03676103 2.18949323 2.22107743 -0.53073771 -0.10490151 -0.23050484 Zr 4.32674146 0.00863576 0.00218808 0.03610644 0.23863142 0.23328131 Zr 6.51918704 2.22191764 0.03324959 -0.06081485 -0.14492635 -0.61715685 Zr 6.51862817 0.02313178 2.15730570 -0.02910446 -0.49965560 0.02803561 Zr 4.36637071 2.18261147 2.19395721 0.09613075 -0.16954501 -0.13391755 Zr 8.67626544 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