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=-1.2214081575280913 stress="3.1663085421032857 -0.14021322951242454 0.5961558520278083 -0.14021322951242454 3.964482529884643 1.1448748937661528 0.5961558520278083 1.1448748937661528 3.7874089845463486" pbc="F F F"
H      -0.14459490       0.11115480       0.11044915       1.28447352       1.93533111       2.15394657 
H       1.70960170       1.31143450      -0.16166483      -0.86971537      -0.64266639       0.53280225 
H       1.28829595      -0.16490224       1.64041416      -1.05003979       0.81576973      -1.18642459 
H      -0.22187219       1.51878885       1.32834452       0.63528164      -2.10843445      -1.50032423