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=0.07765817673845557 stress="-0.008703203389323216 -0.00031410181249451156 -0.004693290543868598 -0.00031410181249451156 -0.013618478551827181 -0.0004777588811350574 -0.004693290543868598 -0.0004777588811350574 -0.007716331738805674" free_energy=0.07765817673845557 pbc="T T F"
H        0.09816423       0.15300231       0.03848316       0.02660122      -0.02170531      -0.15408163
H        1.45774659       1.41852158       0.19178619      -0.16136338       0.00712671       0.00901421
H        1.67895518       0.25744868       1.61455359      -0.04788400      -0.01890031       0.08009526
H        0.03253581       1.64904689       1.28091226       0.18264616       0.03347891       0.06497215