4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=445.12937507 stress="-399.88066143074894 -7.163510237349131 -5.624648786949989 -7.163510237349131 -164.9275003403487 -21.660529461900342 -5.624648786949989 -21.660529461900342 -413.04303882318817" pbc="T F T" C -0.08908251 0.10609627 -0.03757313 -74.28698314 -180.08417520 -22.87079208 C 0.81495333 0.64110225 0.14139099 35.72159284 202.26519514 70.34071339 C 0.78105000 0.06681429 0.66351471 47.31363028 -239.23119137 -40.39596734 C -0.00702251 0.77426237 0.72976766 -8.74823997 217.05017142 -7.07395397