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=187.67706499148008 pbc="T F F" Rg 0.12209946 0.25250008 -0.01705132 111 -545.83045751 -555.36066268 -256.34900871 Rg 1.31858919 1.52407640 -0.13224792 111 604.57696989 485.68170131 -391.72551105 Rg 1.42513633 0.16460595 1.32991535 111 313.45392209 -283.18286323 231.74299647 Rg 0.24998685 1.59018627 1.33143672 111 -372.20043448 352.86182461 416.33152329