4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=5.160923039993548 stress="-42.43897699965743 8.49226381431692 -0.4274352498442475 8.49226381431692 -47.624483056856796 -1.0369172176778179 -0.4274352498442475 -1.0369172176778179 -41.20468974434138" pbc="F F F" Zr -0.12320595 -0.04105180 0.20259391 -14.75190032 -11.62434152 -10.01078806 Zr 1.56504129 1.20865944 -0.13449789 12.13945671 8.37421311 -14.66563555 Zr 1.28802619 0.22277084 1.68584377 19.14435228 -21.39378565 15.94994331 Zr 0.18362810 1.69581920 1.64685009 -16.53190867 24.64391406 8.72648030