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=0.42616124574950404 stress="-5.9729695380629355 -0.4134096604340042 1.5446836724520248 -0.4134096604340042 -6.8167068188624516 0.21778996854553334 1.5446836724520248 0.21778996854553334 -6.587029660394563" pbc="F F F"
H       0.13132919       0.25978669      -0.27407488      -2.07003648      -1.85796702      -1.45896745 
H       1.28504734       1.68365717       0.20288723       3.39917868       3.15252973      -2.74362199 
H       1.40526828       0.00804656       1.37294829       1.83259699      -2.62403664       1.05044345 
H       0.22094491       1.51391996       1.68190327      -3.16173920       1.32947393       3.15214599