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=26.4525871695 stress="-27.952266129154978 -0.04353669907239033 -0.9266637504761439 -0.04353669907239033 -23.066657883424604 -0.5005645817858873 -0.9266637504761439 -0.5005645817858873 -28.856694678027072" pbc="F F F" U 0.04852473 0.05473499 -0.08438932 -42.35347073 -33.53301893 -50.29466293 U 1.63661615 1.40480033 -0.12280496 30.07618323 39.75369937 -29.78778753 U 1.29869006 0.11041876 1.26735611 48.62111247 -43.92477184 46.62840936 U -0.16466555 1.24148635 1.58611608 -36.34382497 37.70409140 33.45404109