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=-4.94589676282 stress="0.05219737412907665 -0.012241972077756577 0.23979966772905836 -0.012241972077756577 -0.28488785487842316 0.1972060897735071 0.23979966772905836 0.1972060897735071 1.1690943187166016" pbc="F F F" C 0.18584377 0.37541429 0.19581920 0.41287431 0.02500220 2.24067409 C 1.64685009 1.76959405 0.35521751 0.17394237 0.49405718 0.59793871 C 1.35402479 0.20996341 1.49207130 -0.35906067 -0.58437660 -1.40874549 C 0.15300231 1.53848316 1.45774659 -0.22775602 0.06531721 -1.42986731