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=0.8413192680365607 stress="-8.516994204915118 2.1837099570904077 0.051501340841327625 2.1837099570904077 -6.933355234032202 0.5261158929922507 0.051501340841327625 0.5261158929922507 -5.91811915820824" pbc="F F F"
H       0.03369179       0.02598936      -0.27670350      -2.21335770      -1.50663336      -1.67768904 
H       1.46375436       1.40583543      -0.24440284       1.50579893       2.54195517      -1.97420764 
H       1.20178472       0.29874826       1.27290972       4.89953772      -4.52504293       2.52082319 
H      -0.11909813       1.36136659       1.55835534      -4.19197895       3.48972112       1.13107350