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=-6.186144981150515 pbc="T F F" C 0.59505497 0.03838909 0.38485540 6 -9.72037185 -3.04014344 -16.96499424 C 1.54825614 1.73915122 0.04940098 6 -0.28675115 1.55567566 -2.46736314 C 1.31941224 0.21060844 1.54515720 6 9.57579034 0.42028767 17.96168904 C 0.24566563 1.57618829 1.50566477 6 0.43133266 1.06418011 1.47066833