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=0.7510667441890495 stress="-0.04197962905513213 0.001074971719772361 -0.0006078402361655027 0.001074971719772361 -0.03413045154434676 0.0010040201836713277 -0.0006078402361655027 0.0010040201836713277 -0.05400015075332454" pbc="T F T" H -0.22958397 0.19178619 0.17895518 0.14708664 -0.33016163 -0.06470487 H 1.79140871 1.61455359 0.09583508 -0.15466474 0.37992251 -0.06109637 H 1.64904689 0.10609294 1.46603997 -0.15011814 -0.35969253 0.06771924 H -0.19401975 1.32157598 1.45107040 0.15769624 0.30993164 0.05808200