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=104.387004749 pbc="F T T" C 0.08072435 -0.12063495 0.04245158 6 -166.24365173 -122.58368175 -102.86290591 C 0.65480033 0.62719504 0.09743832 6 110.33562833 170.40767777 -110.13197166 C 0.86041876 -0.17428855 0.58533445 6 140.79293881 -120.56645785 122.31410734 C -0.05781162 0.83611608 0.78369179 6 -84.88491541 72.74246183 90.68077023