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=-0.7479815340160854 pbc="F F T" F -0.08836929 0.00680066 0.01055545 9 0.60524953 0.23199039 0.07785167 F 1.69913862 1.22683547 0.11619247 9 -0.52063073 -0.34820317 0.06402429 F 1.25488568 -0.21953604 1.38040990 9 -0.37812032 0.53057401 -0.23846229 F 0.21918893 1.75277172 1.75028843 9 0.29350152 -0.41436123 0.09658634