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=0.35809562662956873 stress="-0.9114667386464625 -0.12595293117155587 -0.0846119304696028 -0.12595293117155587 -0.6884045956770346 0.04844494182903697 -0.0846119304696028 0.04844494182903697 -0.939003778560116" pbc="F F F"
H       0.27219963      -0.06618674       0.13132919      -0.38366740      -0.35101297      -0.26898133 
H       1.75978669       1.22592512      -0.21495266       0.24852523       0.32633496      -0.29390415 
H       1.68365717       0.20288723       1.58343331       0.32108125      -0.18420537       0.41844827 
H      -0.20414597       1.44809454       1.72094491      -0.18593909       0.20888338       0.14443721