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=-733.162299535 pbc="T F T" C -0.11492400 0.50773809 -0.01726309 6 262.39577641 25.72940394 98.84621791 C 1.31034357 1.66132465 0.21134024 6 411.59672983 -306.78593352 440.22166362 C 1.22421611 -0.28244114 1.17175779 6 -175.46075552 101.72079881 -157.33208662 C -0.05706681 1.48286868 1.15561029 6 -498.53175072 179.33573077 -381.73579491