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=-0.09020993296091576 stress="0.07976543657630804 -0.012128765611565276 0.00035181500058729476 -0.012128765611565276 0.057374665327351644 -0.00454798843645211 0.00035181500058729476 -0.00454798843645211 0.06622565845311422" free_energy=-0.09020993296091576 pbc="F T T"
H       0.12961200       2.82394549       0.45315079       1.13124029      -0.94387765       0.71870798 
H       1.26564846       1.54218060       0.29768454      -0.91486453       0.83202438       0.76930610 
H       1.48273691       2.85108521       1.52776810      -0.88957734      -0.51834598      -0.56206735 
H       0.26235339       1.58960997       1.71005355       0.67320157       0.63019924      -0.92594674