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=-49.10148665572717 stress="-0.0016912786774014939 0.00017771928024640996 -0.00010586881776033578 0.00017771928024640996 -0.0014478140528998385 -0.00028447048697733876 -0.00010586881776033578 -0.00028447048697733876 -0.0016027928525126124" pbc="F F F" Zr 20.91870436 21.04860922 21.20118821 -2.18795803 -0.95224500 -2.02294788 Zr 22.70960170 22.31143450 22.33833517 -10.05247463 12.46075386 0.77098631 Zr 23.78829595 20.83509776 21.14041416 7.11631018 -10.99074656 -9.92877292 Zr 25.27812781 22.79098848 22.26215777 9.53894592 -5.17378722 1.57134606 Zr 20.87679405 24.09027739 21.20259391 -6.59020483 -2.80652304 -3.91446129 Zr 22.56504129 25.20865944 22.36550211 -16.98403753 23.63337854 9.63103978 Zr 23.78802619 24.22277084 21.18584377 11.85743501 -6.74923994 -23.08204334 Zr 25.40955323 25.48086654 22.83050726 4.11479259 4.07031709 -0.93443520 Zr 21.26959405 21.17626233 23.85402479 -4.94927364 -2.48629088 3.63064569 Zr 22.91285063 22.57550460 25.65300231 -1.92213358 -1.62454394 5.08734803 Zr 23.83433719 20.95774659 23.86661612 4.92581757 -7.92749478 5.48045302 Zr 25.45789336 22.60920173 25.27041603 3.38656180 -1.32393028 1.40227412 Zr 21.19178619 24.41067064 24.47331198 -16.08445839 -10.96297553 -10.79265748 Zr 22.43638857 25.53253581 25.64904689 11.66807167 12.53355683 12.86038486 Zr 23.78091226 24.10609294 23.96603997 5.37656995 -3.28016846 8.59154758 Zr 25.51817278 25.24642973 25.64352264 0.78603594 1.57993929 1.64929266