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=1.7177143321302957 stress="-66.6493863669165 2.766027024005841 -6.824722535325542 2.766027024005841 -52.982168652787166 0.1418035115463212 -6.824722535325542 0.1418035115463212 -67.21731564911269" pbc="F F F" W 0.04852473 0.05473499 -0.08438932 -25.15115319 -16.98967856 -29.34842358 W 1.63661615 1.40480033 -0.12280496 14.81470228 21.52342378 -15.98125279 W 1.29869006 0.11041876 1.26735611 30.97395831 -25.90876860 28.61113124 W -0.16466555 1.24148635 1.58611608 -20.63750740 21.37502338 16.71854513