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=2.890560181276486 stress="-0.6520233604455499 0.031241647847720853 -0.010576815853267283 0.031241647847720853 -0.6287740179414648 0.1601478124468829 -0.010576815853267283 0.1601478124468829 -0.5983442997917444" pbc="T F F"
H       0.08343331       0.22094491       0.23171545      -4.43406375      -4.58091788      -5.86278811 
H       1.50893269       1.32183498       0.21219253       3.12990184       9.83810209      -8.01958564 
H       1.42485375       0.12990665       1.28220450       4.21611071      -9.21448842       9.85462265 
H       0.28278197       1.56210000       1.63362859      -2.91194880       3.95730421       4.02775110