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=2.7503495964096523 stress="-66.23246639969112 -10.846689561744938 -7.139617821462231 -10.846689561744938 -49.94853691808374 4.4434117425702055 -7.139617821462231 4.4434117425702055 -68.09565089829249" pbc="F F F" Zr 0.27219963 -0.06618674 0.13132919 -28.95303401 -25.77124465 -19.40093268 Zr 1.75978669 1.22592512 -0.21495266 18.43747523 24.38893986 -21.44577932 Zr 1.68365717 0.20288723 1.58343331 23.20907091 -13.12399934 30.98799443 Zr -0.20414597 1.44809454 1.72094491 -12.69351213 14.50630413 9.85871757