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=-1.3799847256792328 stress="-0.5250880288111038 0.03809268327034527 0.05320935464453082 0.03809268327034527 -0.36903068282201484 0.002073817888965887 0.05320935464453082 0.002073817888965887 -0.34695206208388235" pbc="T F T"
H      -0.01036258       0.01361598      -0.14801295      -4.16359968      -2.81753262       5.78397816 
H       1.47567541       1.56329927      -0.06254558       2.67896496       2.84261051       4.83639962 
H       1.27846858       0.09073906       1.77219963       4.92133677      -3.63448470      -6.25075062 
H       0.13670048       1.63132919       1.75978669      -3.43670205       3.60940681      -4.36962716