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=-0.2909197420257061 stress="-4.7863270837229255 -0.5433065592886375 -0.6912026502498616 -0.5433065592886375 -2.817740659079634 0.45583412216148267 -0.6912026502498616 0.45583412216148267 -4.883770627470394" pbc="F F F"
H       0.05988540      -0.29754255       0.16431082      -1.97712992      -1.02906268      -1.70106605 
H       1.31425730       1.48844065       0.03277713       1.50115097       1.19190792      -2.02285615 
H       1.39971974       0.06776372       1.46097674       1.87663131      -0.61637940       2.63533285 
H      -0.21780693       1.71813893       1.26716069      -1.40065237       0.45353415       1.08858934