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=-0.28092104062335826 stress="0.07649678483190527 -0.06644789468491301 -0.01100287811721311 -0.06644789468491301 0.12414914229217935 -0.07646280131274251 -0.01100287811721311 -0.07646280131274251 0.09197727960118388" free_energy=-0.28092104062335826 pbc="F T F"
H       0.02201293       2.81634348       0.04376171       1.19323984      -1.83019877       0.73065533 
H       1.22051529       1.69273990       0.05332204      -1.40923733       0.10886112       1.29972078 
H       1.34142898       0.50670669       1.21137735      -0.28184352       1.26405990      -0.96288088 
H       0.01283276       1.70071341       1.32858036       0.49784101       0.45727775      -1.06749523