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=-1.3969205728686125 stress="0.17860626138501592 0.016053345746904823 -0.024920234790971 0.016053345746904823 0.13769863145982678 -0.00035117092711782385 -0.024920234790971 -0.00035117092711782385 0.1698377183961588" free_energy=-1.3969205728686125 pbc="F F T"
H       0.29594673       0.15710459       2.99042854       1.58086947       1.54501806       2.14264390 
H       1.35687199       1.47664413       0.24122900      -2.62866824      -1.96285964       2.27533530 
H       1.52201293       0.04376171       1.22051529      -1.44846768       1.27297482      -1.65284320 
H       0.19273990       1.30722932       1.26172667       2.49626645      -0.85513324      -2.76513600