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=42.45918350732915 pbc="T F T" U 0.01193751 0.25226748 -0.03568003 92 38.33114572 -48.54915685 -30.14231364 U 1.54396501 1.57236142 0.20379337 92 -12.13991153 49.11740620 -30.46678377 U 1.73854596 -0.23077820 1.28229695 92 -33.66188993 -39.90165724 37.11060999 U 0.02031036 1.68745344 1.52015752 92 7.47065574 39.33340789 23.49848742