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=22.785869159437187 stress="-91.09972239175818 -3.162787829326555 -1.0244777381868317 -3.162787829326555 -90.50476135403154 -5.154213976238694 -1.0244777381868317 -5.154213976238694 -91.61421252269652" pbc="F F F" Zr 0.26959405 0.17626233 -0.14597521 -26.69939385 -35.18491045 -44.69212494 Zr 1.70996341 1.49207130 0.15300231 35.97758074 35.89719950 -20.99845033 Zr 1.53848316 -0.04225341 1.41852158 23.02096368 -30.85206512 32.73828525 Zr -0.04210664 1.38825682 1.27041603 -32.29915057 30.13977607 32.95229002