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=-10.972843183253687 stress="-0.3682910255079244 -0.35455151936807744 0.2532572930195871 -0.35455151936807744 -0.502488847725244 -0.017030997983813287 0.2532572930195871 -0.017030997983813287 0.389268593093917" pbc="F T T" C 0.12990665 -0.10737673 0.28278197 3.25228069 1.67211346 6.61803609 C 1.32945611 1.63362859 -0.17297059 -2.86444721 1.81276344 -6.36160771 C 1.57034430 -0.11614082 1.55473499 9.33406094 5.17655552 0.55438448 C 0.13661615 1.40480033 1.37719504 -9.72189442 -8.66143242 -0.81081286