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=-1.0817548238647954 pbc="F T T" F -0.07201874 -0.29607986 0.28711717 9 0.41822052 -0.26884055 0.19094757 F 1.72267977 1.42798204 0.14778531 9 -0.39280785 0.14048747 0.16289144 F 1.65647815 -0.14697888 1.51554300 9 -0.39456943 -0.12454374 -0.21437026 F -0.07474442 1.39594103 1.69478332 9 0.36915676 0.25289682 -0.13946875