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=-0.15112230787053266 stress="0.050493403057641946 0.01093447924665181 0.05679564412907353 0.01093447924665181 0.002325627816142114 -0.0009304926316564689 0.05679564412907353 -0.0009304926316564689 0.06778142055065202" free_energy=-0.15112230787053266 pbc="T T T"
H       0.20947124       2.55758596       0.05280714       1.41903972       0.06479486       1.82901508 
H       1.57764966       1.33499556       2.77213209      -0.04421486      -0.00420111      -0.02693517 
H       1.32230844       2.78415296       1.22286420      -1.41783550      -0.22623303      -1.49265621 
H       2.89955747       1.47019313       1.42204852       0.04301064       0.16563928      -0.30942369