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=18.65925909255607 stress="-92.87664640321795 -1.9870161738677137 -1.0292088226390277 -1.9870161738677137 -89.36539164653675 -3.261326465092658 -1.0292088226390277 -3.261326465092658 -90.05783317595298" pbc="F F F" Zr 0.26959405 0.17626233 -0.14597521 -26.77668407 -33.57903743 -43.30231985 Zr 1.70996341 1.49207130 0.15300231 36.19098961 35.47683566 -21.35135439 Zr 1.53848316 -0.04225341 1.41852158 23.92385963 -31.44666373 32.85839265 Zr -0.04210664 1.38825682 1.27041603 -33.33816517 29.54886550 31.79528160