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:Z:I:1:forces:R:3 energy=-3.493934600580279 pbc="F T F"
H       0.25978669      -0.27407488      -0.21495266        1       2.02351123      -1.91760309       2.19518091 
H       1.68365717       1.70288723       0.08343331        1      -3.01389685       1.52793464       1.26883737 
H       1.29585403      -0.05190546       1.72094491        1      -1.91616394      -1.47815362      -1.92263641 
H       0.23171545       1.68190327       1.32183498        1       2.90654955       1.86782206      -1.54138187