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=-1.174941432169879 pbc="T F T" F -0.22116671 -0.28604328 -0.04868976 9 -0.14771744 0.54899795 -0.34418882 F 1.35860278 1.66303893 0.15601606 9 0.11610251 -0.45748663 -0.08891139 F 1.37743047 -0.08353205 1.63782397 9 0.23920594 0.51063856 0.24467872 F -0.24119077 1.29051746 1.73625707 9 -0.20759100 -0.60214988 0.18842150