108 Lattice="13.145417580134165 0.0 0.0 0.0 13.145417580134165 0.0 0.0 0.0 13.145417580134165" Properties=species:S:1:pos:R:3:forces:R:3 energy=-586.3978201384954 stress="-0.005152266295581654 -9.137048839732573e-05 -0.00016620455441039117 -9.137048839732573e-05 -0.005399133742631398 1.5314021357245836e-05 -0.00016620455441039117 1.5314021357245836e-05 -0.0052649522852667744" free_energy=-586.3978201384954 pbc="F F F" Zr 0.01529307 0.01130232 0.04215554 0.99446830 0.90974482 0.88784120 Zr 2.21001106 2.17931620 0.03588757 -0.27718068 -0.15918988 -0.70845009 Zr 2.22401160 0.03583029 2.19447942 -0.32647003 -0.90271332 -0.18830726 Zr 0.02076921 2.10984654 2.18918224 -0.47534047 0.25297237 -0.16591415 Zr 4.40256773 0.01652879 0.01281330 -0.05410967 0.35320010 0.30150557 Zr 6.60981105 2.19473670 0.01859089 -0.26866108 -0.23923390 -0.61162026 Zr 6.56334596 0.00184956 2.18862832 0.15295892 -0.60530186 -0.22956793 Zr 4.35899986 2.15077873 2.22223395 0.16591233 0.32338218 -0.42595698 Zr 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