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=-3.8420429441238926 pbc="T F T"
H      -0.14597521       0.20996341       0.28348001        1      -1.13536946       1.83683457       1.45149976 
H       1.65300231       1.53848316      -0.04225341        1       2.19877405      -1.76643956      -0.65597525 
H       1.41852158      -0.04210664       1.38825682        1       0.63841065       1.66564490      -1.58180226 
H      -0.22958397       1.69178619       1.67895518        1      -1.70181524      -1.73603991       0.78627776