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=-0.34171389104623434 stress="0.1456519830870005 0.07555056336978312 -0.016849683131259 0.07555056336978312 0.1242894544409887 -0.004102282906407781 -0.016849683131259 -0.004102282906407781 0.08700140372917994" free_energy=-0.34171389104623434 pbc="T T T"
H        0.05280714       0.07764966      -0.15344509       1.55252239       0.79755790       0.78750844
H        1.37241235       1.32230844      -0.08950840      -1.70935505      -0.97091012       1.18851421
H        1.22286420      -0.06141927       1.25205420      -1.98307141      -0.78856026      -0.87974090
H        0.15488783       1.55988540       1.20245745       2.13990407       0.96191248      -1.09628174