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=-2.28700909822 pbc="T F T" H -0.00732775 0.09243610 0.11841611 1 0.03357504 0.26180383 0.07779325 H 1.00215211 1.66219340 -0.09540062 1 -0.14211428 -0.25350971 -0.02041479 H 1.63860270 0.15188098 1.40114030 1 0.08058591 0.24352161 -0.02406025 H -0.06318794 1.60715529 1.37312042 1 0.02795333 -0.25181572 -0.03331821