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=-0.04461363237726012 pbc="T T F" H 0.07460350 0.12507596 -0.23424331 1 -0.03574346 -0.00840093 0.04742177 H 1.77505455 1.62548296 -0.11510661 1 0.07329900 0.02190936 0.06821481 H 1.56343131 -0.03790497 1.33488535 1 0.02640546 -0.06088121 -0.04226561 H -0.13294049 1.74721676 1.20740915 1 -0.06396100 0.04737277 -0.07337097