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=-28.37318821239283 pbc="T F F" C -0.11871984 0.11471631 0.19153857 6 -5.95818866 16.75580450 14.93100086 C 1.63632890 1.29484331 0.28195027 6 6.79352088 -13.44745684 11.41196444 C 1.49383272 -0.27961966 1.55559849 6 2.39151253 10.52879539 -10.92110643 C -0.12328205 1.40154020 1.29127167 6 -3.22684475 -13.83714305 -15.42185887