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=-1.2191234991883455 pbc="T F T"
H       0.13942122       0.10170120      -0.12206635        1      -2.39200069      -5.45920392       2.74106038 
H       1.21904386       1.50082602       0.24624097        1       7.27454284       4.22887408      -3.63043676 
H       1.64302402      -0.14501107       1.61042859        1       0.47284551      -2.16721769      -1.52774261 
H       0.20947124       1.35512851       1.55280714        1      -5.35538766       3.39754754       2.41711899