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=1.139171767970477 stress="-0.09526279097499121 0.003495300183429913 0.0015225400708100843 0.003495300183429913 -0.0705684217575339 0.0010603122857946754 0.0015225400708100843 0.0010603122857946754 -0.07198776623926609" pbc="T F F" H -0.14801295 0.06329927 0.09073906 0.33132318 -0.84268386 -0.66815183 H 1.77219963 1.43381326 0.13132919 -0.37392149 0.75780396 -0.65480445 H 1.75978669 0.18365717 1.70288723 -0.32870690 -0.68526297 0.68497391 H 0.08343331 1.29585403 1.44809454 0.37130521 0.77014287 0.63798236