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=-0.5277281981987911 stress="-1.9672835489363767 0.055684398293535664 -0.43583500567235134 0.055684398293535664 -4.072861037831837 -1.9917990537636803 -0.43583500567235134 -1.9917990537636803 -3.76645343465535" pbc="F F F"
H      -0.14459490       0.11115480       0.11044915      -0.79100399      -2.30305358      -2.44783493 
H       1.70960170       1.31143450       0.04092907       0.56131712       0.49708087      -0.38901618 
H       1.28829595      -0.16490224       1.64041416       0.62525543      -0.55477888       0.91140290 
H      -0.22187219       1.51878885       1.32834452      -0.39556856       2.36075160       1.92544820