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=-0.9224119098637149 pbc="T F F" F -0.00545428 -0.17066895 0.07849397 9 0.32152242 0.42953428 0.70129278 F 1.35256586 1.33456304 -0.01976983 9 -0.18684038 -0.47876479 0.56869773 F 1.35751011 -0.27932370 1.25229171 9 -0.26705285 0.43707428 -0.74912924 F -0.01682834 1.52041182 1.37665084 9 0.13237081 -0.38784377 -0.52086126