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=-75.6000736002 stress="0.05047942394680913 0.021139466004934736 -0.12680786151958373 0.021139466004934736 -0.014979146204586275 0.16358002871191027 -0.12680786151958373 0.16358002871191027 0.3007916953451481" pbc="F F F" Zr 0.22499916 -0.12324026 -0.05506435 -0.74006011 -2.39619711 0.95847989 Zr 1.78460712 1.29876998 1.26772449 -3.56870632 1.08060391 2.60505717 Nb 2.77715687 -0.25985109 -0.06801106 -2.10989053 1.11549600 4.73755863 Zr 4.32743118 1.24752288 1.33533911 5.26634751 -0.70623107 -0.64694348 Zr 0.35106810 2.48251644 -0.16114480 -1.59573551 2.07277020 -0.58418402 Nb 1.29994537 4.69861034 1.59566688 0.47715251 -1.03599047 5.36091504 Zr 3.12528982 3.12033173 0.17828948 -1.89674909 1.02757916 -4.96738484 Nb 4.66466514 4.07654990 1.23241985 2.81238764 1.98753012 3.25956642 Nb 0.07255377 0.01129231 3.01258782 7.08709925 1.71361097 -5.52357925 Zr 1.36984297 1.31683490 4.62365747 1.26910879 -0.43301687 2.12177823 Nb 2.95588739 -0.04702487 2.69310289 -4.13385661 -4.95206490 0.23524675 Zr 4.15955851 1.54737131 4.24395116 1.13551802 1.26913214 1.53305645 Zr 0.24404962 2.78548771 3.12937675 -2.13852573 0.55428206 -1.68599017 Nb 1.25818085 4.59119645 4.29640878 2.88417044 -3.00770045 -7.99712630 Nb 3.21456242 3.27913633 2.85263676 -0.82122046 6.89986727 6.57283686 Nb 4.68492541 4.33178173 4.38323780 -3.92703981 -5.18967097 -5.97928737