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=45.16717380638546 pbc="F F T" U 0.02201293 -0.18365652 -0.07465759 92 -61.17370495 -38.34779617 -24.46039406 U 1.48566276 1.31443107 0.04376171 92 33.49478070 49.70705913 -18.17247971 U 1.22051529 0.19273990 1.30722932 92 64.28470096 -44.50212326 36.24373358 U -0.23827333 1.55332204 1.38252495 92 -36.60577671 33.14286030 6.38914020