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=4841.281132472814 pbc="T F F" W -0.28591287 -0.27356613 -0.22428502 74 4325.16744439 -3121.58623229 -7045.90030986 W 1.57733965 1.62259715 0.14501112 74 -6898.30075773 3316.29164071 -9746.10619661 W 1.79998989 -0.09495257 1.64267151 74 -6044.08074601 -7001.57128058 7447.33331723 W -0.19633707 1.73961720 1.76039662 74 8617.21405935 6806.86587216 9344.67318924