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:forces:R:3 energy=0.17929424312251724 stress="-0.42261182027741007 -0.0379913456762346 -0.03496710298487385 -0.0379913456762346 -0.32452502631908536 0.013178717988802685 -0.03496710298487385 0.013178717988802685 -0.4450176064467142" pbc="F F F" H 0.27219963 -0.06618674 0.13132919 -0.16711656 -0.16112952 -0.13037311 H 1.75978669 1.22592512 -0.21495266 0.10826476 0.14555365 -0.13656833 H 1.68365717 0.20288723 1.58343331 0.15340178 -0.09064128 0.19349515 H -0.20414597 1.44809454 1.72094491 -0.09454998 0.10621714 0.07344628