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=-1.240945893315146 stress="-0.12858175863441443 -0.0042203749084862826 -0.013460441381331085 -0.0042203749084862826 0.137634346925869 -0.0858391793524606 -0.013460441381331085 -0.0858391793524606 0.16103214861340637" free_energy=-1.240945893315146 pbc="F T T"
H       0.42736672       0.21980528       0.29977655      -1.57950577       0.73073427       0.77735097 
H       1.66817496       1.31526609       0.24417548       0.94800617      -3.19839222       3.63585853 
H       1.67000847       0.39196538       1.22263956       1.79111212       3.24764342      -3.38763572 
H       0.36725761       1.26564846       1.38507600      -1.15961251      -0.77998548      -1.02557378