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=-0.04875955865490519 stress="0.15112042266247944 -0.033420538777561515 -0.017296049902799815 -0.033420538777561515 0.15233553831133367 -0.03226604082000045 -0.017296049902799815 -0.03226604082000045 0.14605228057408404" pbc="F F F" H -0.11510661 0.06343131 -0.03790497 0.03409662 0.02740504 0.03180243 H 1.33488535 1.36705951 0.24721676 -0.04004773 -0.07214418 0.07085548 H 1.20740915 0.23803566 1.48617951 -0.07418542 0.10735812 -0.06269931 H -0.05196625 1.29359428 1.73131788 0.08013653 -0.06261898 -0.03995860