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=577.927803046 pbc="T T F" C 0.08407602 0.33863628 0.44854923 6 -196.01116832 -684.19827911 -643.40048485 C 0.92626233 0.60402479 0.50137212 6 589.49953064 539.65851448 -451.45429533 C 0.74207130 0.26755590 0.78848316 6 115.83006656 -612.79692487 560.54432346 C -0.00971760 0.66852158 0.70789336 6 -509.31842888 757.33668951 534.31045672