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=-4.069702764071607 pbc="F T T" H 0.29391194 -0.27385471 0.02103145 1 2.66828674 -2.14665956 -0.06830393 H 1.27761356 1.68220204 0.07469950 1 -2.42824333 2.36509720 0.67509270 H 1.73573857 0.02724172 1.27538150 1 -1.75527827 -0.77890128 -1.56432310 H -0.29703668 1.34887301 1.72083292 1 1.51523486 0.56046363 0.95753432