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=3640.3969868471654 stress="-16727.98340341046 -1279.8908952098773 -632.0565068815599 -1279.8908952098773 -17908.40166812655 970.6294120569485 -632.0565068815599 970.6294120569485 -18644.634610724555" pbc="F F F" Zr 0.24261009 -0.00023732 -0.07075056 -316.81896491 -477.34186670 -286.02856224 Zr 1.70857723 1.70524696 1.12667393 -368.59101137 -4160.62255716 1467.17690817 Zr 3.47218955 -0.22538798 0.06311997 -82.54893742 -450.11655410 -411.70372661 Zr 4.40444858 1.58442292 1.62136143 1998.03110380 -260.76380840 -852.18996519 Zr 0.12176270 2.83830087 0.02230494 -2484.47012352 1652.64096732 -1936.31533858 Zr 1.34891097 4.77774931 1.74388117 -26.80717127 572.37943357 -402.82461303 Zr 2.83038481 3.12872596 -0.17302586 1816.09685668 2174.95071656 -2239.46490145 Zr 4.53295039 4.31947315 1.73390714 372.20856517 476.68550919 -627.66090206 Zr -0.00357458 0.25379726 2.99817348 -801.45308693 -1193.36094868 -532.93400210 Zr 1.36388494 1.53960150 4.53504593 90.21338785 454.13442157 1653.75228582 Zr 2.75323337 0.22200330 2.88101657 160.46739859 -1623.93488601 446.56444537 Zr 4.75682092 1.44158584 4.56450811 108.77563376 -14.78605686 141.70367785 Zr -0.12147457 2.76225660 2.65565299 -730.67539370 605.81739648 378.57801588 Zr 1.79339576 4.52754269 4.35053204 -267.48993481 520.66728461 741.86608002 Zr 2.78447574 2.79451798 2.84680289 404.53425385 1630.49868437 1929.36528308 Zr 4.75881950 4.55114537 4.27220798 128.52742423 93.15226424 530.11531507