500 Lattice="22.200489598015363 0.0 0.0 0.0 22.200489598015363 0.0 0.0 0.0 22.200489598015363" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2998.719467994391 stress="-0.001946633900299645 4.3411214731910484e-05 1.8346955475489927e-05 4.3411214731910484e-05 -0.001973311777124308 1.780160918813465e-05 1.8346955475489927e-05 1.780160918813465e-05 -0.0021034464619523086" free_energy=-2998.719467994391 pbc="F F F" Zr 0.01109699 0.03954164 0.00168721 0.81878399 0.79344314 0.82480768 Zr 2.25824295 2.20944117 0.01477580 -0.25658859 -0.13495139 -0.08701717 Zr 2.25385581 0.01727723 2.22254031 -0.30044970 -0.08017129 -0.16445932 Zr 0.00521782 2.26205180 2.21849504 0.01304558 -0.28968667 -0.15359315 Zr 4.48322778 0.01800691 0.01970642 -0.07828553 0.35704120 0.39256503 Zr 6.63437750 2.21570604 0.04180170 0.04763419 0.07033726 -0.27101798 Zr 6.66902803 0.02687649 2.21506441 -0.02673969 -0.25962106 0.04871051 Zr 4.40482908 2.22045689 2.22919346 0.20070218 -0.13549154 -0.11028144 Zr 8.91049603 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