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=-0.03487359521808195 pbc="T F T" H 0.23803566 -0.01382049 -0.05196625 1 0.06063848 0.01998635 -0.01033180 H 1.29359428 1.73131788 -0.03385048 1 -0.04470870 -0.02238203 0.03113768 H 1.28704093 -0.23666402 1.55377313 1 -0.05141906 0.01092311 0.02101356 H 0.04778792 1.62077002 1.25398387 1 0.03548928 -0.00852744 -0.04181944