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:Z:I:1:forces:R:3 energy=-3.413289453935662 pbc="T T F" C 0.04044737 0.10459395 -0.27713580 6 -1.18154453 -1.15115850 -3.87316507 C 1.26954570 1.13406617 0.15488783 6 1.01932002 0.87281589 -2.03760947 C 1.49289133 -0.29754255 1.66431082 6 0.70209744 -0.64832941 3.08661879 C -0.18574270 1.48844065 1.53277713 6 -0.53987293 0.92667203 2.82415576