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=62.637786470994754 pbc="F T F" C 0.27219963 -0.06618674 0.13132919 6 -122.55963235 -126.13636672 -34.91842978 C 1.00978669 0.47592512 -0.21495266 6 108.54554180 67.19996697 -142.65913047 C 0.93365717 0.43460268 0.83343331 6 88.74408234 21.69044668 133.40407583 C -0.20414597 0.69809454 0.97094491 6 -74.72999179 37.24595308 44.17348443