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=-59.96306241769692 stress="-0.0003683632629634327 -0.0002724574218997722 -2.9172226993992424e-05 -0.0002724574218997722 -0.00031080804313869887 1.3970903867740414e-06 -2.9172226993992424e-05 1.3970903867740414e-06 -0.00039452229821138437" pbc="F F F" Ni 21.04411894 21.12739585 21.04804746 -1.51631772 -1.03740276 -1.45508233 Ni 22.23155877 22.22135402 22.29375489 1.53138400 3.78530871 3.25955725 Zr 23.59412268 21.07641073 20.95099014 0.63831365 -1.68762389 -1.09284149 Ni 25.20488082 22.54731008 22.59909897 1.81412120 3.43813389 -1.97228753 Ni 21.17163830 24.30097650 20.90401393 -0.16818401 -0.79117317 0.17782421 Zr 22.41062519 25.37728820 22.78055862 -0.54811384 4.44477065 -2.95629421 Zr 23.66211776 23.73403993 21.23232047 0.11796656 0.27199288 -1.91083873 Zr 25.43430481 25.53110023 22.73672153 4.48451127 3.44329780 -5.00734397 Ni 21.12796496 21.12475284 23.77313422 -0.08602148 -0.54054035 0.39750276 Zr 22.62487910 22.07803896 25.65375420 -0.35471344 1.10916650 -0.50031122 Zr 24.46530181 20.99961541 23.76767060 -1.76730129 -3.36088541 2.32659537 Ni 25.49068321 22.54482646 25.61722392 -0.39120023 0.34160859 -0.35839813 Ni 21.20501430 24.09184928 23.91374860 -1.89325536 -3.56091527 1.72456738 Ni 22.39229478 25.65672550 25.43000677 0.37400765 -0.14270075 0.23345422 Zr 24.06799256 24.26554664 24.15599623 -11.08291293 -13.24337816 -2.10514464 Zr 25.42244881 25.43792997 25.28940289 8.84771596 7.53034074 9.23904106