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=0.6905089721483109 stress="-0.03358830402634482 -0.0012879979601379367 0.0015888321658683313 -0.0012879979601379367 -0.0447898673501652 0.0003464369640290946 0.0015888321658683313 0.0003464369640290946 -0.0437449111766465" pbc="F T T"
H       0.04852473       0.35348325      -0.02603397      -0.33014889      -0.10870578      -0.06574717 
H       1.63661615       1.40480033       0.07789707       0.36744054       0.10055356      -0.12848382 
H       1.29869006       0.11041876       0.97078569       0.26782439      -0.10326689       0.12687405 
H       0.08611608       1.43454346       1.52392483      -0.30511604       0.11141912       0.06735693