16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-44.47973897527327 stress="-0.0017800243503825188 0.00014062067657863686 -8.126708761002438e-05 0.00014062067657863686 -0.0013867054071354168 -0.00021822999065387584 -8.126708761002438e-05 -0.00021822999065387584 -0.0017546632663847715" pbc="F F F" Zr 21.27219963 20.93381326 21.13132919 -9.37479914 -7.52374889 -6.22791923 Zr 22.75978669 22.22592512 22.03150371 -11.32117605 19.47634268 7.86516209 Zr 24.18365717 21.20288723 21.08343331 12.46331508 -14.77823700 -16.31196447 Zr 25.29585403 22.44809454 22.70287922 12.78302829 7.79739761 -0.12833664 Zr 21.15173410 24.38260530 21.10370736 -3.78709461 -1.09495519 -2.91605745 Zr 22.71219253 25.42485375 22.62990665 -17.56108458 26.17922245 -9.25545108 Zr 23.78220450 24.28278197 21.06210000 6.47695218 -4.08222728 -12.12370911 Zr 25.63362859 25.33704133 22.55487769 3.31745831 1.74283246 -0.60190078 Zr 21.04852473 21.15643619 23.79354433 -3.91796710 -2.47564921 -0.51987096 Zr 22.35566001 22.40562635 25.37719504 1.25336415 0.83084846 4.88535917 Zr 23.79869006 21.11041876 23.76735611 -1.54404777 -11.80977398 10.65122435 Zr 25.58157542 22.38451037 25.44110502 0.66384056 0.40261309 1.47493280 Zr 21.03369179 24.13641795 23.93276774 -8.39998370 -3.97718853 -2.71626801 Zr 22.46375436 25.40583543 25.25559716 -2.81961658 9.79370091 12.94089685 Zr 23.70178472 24.29874826 23.77290972 20.21666459 -21.04645092 11.63325344 Zr 25.23603037 25.41417373 25.47169418 1.55114637 0.56527334 1.35064905