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=-6.66988191890179 pbc="T T F" C -0.04105180 0.20259391 0.06504129 6 -6.74671458 0.86536881 5.92946794 C 1.20865944 1.36550211 -0.03571148 6 -6.63452900 -2.48890664 9.21051491 C 1.72277084 0.18584377 1.68362810 6 12.49000587 4.35998854 -9.81373256 C 0.19581920 1.64685009 1.62361884 6 0.89123771 -2.73645071 -5.32625029