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=-4.054813129955903 pbc="F T T" C -0.08187355 -0.05538709 0.38306792 6 5.34402604 7.19990070 1.77320617 C 1.25294705 1.02484171 0.32398409 6 -7.85475146 -8.53646549 5.31975013 C 1.69104769 0.00657030 1.44792858 6 1.80460272 2.40671028 -2.49808624 C -0.21646835 1.23172292 1.43818152 6 0.70612269 -1.07014549 -4.59487006