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=-0.9412254743255678 stress="0.07279923764246417 0.009997593836099326 -0.013485362042817098 0.009997593836099326 0.1605751184312685 -0.14249378802334997 -0.013485362042817098 -0.14249378802334997 0.23519985299568275" free_energy=-0.9412254743255678 pbc="T T F"
H       0.19410236       2.83096497       0.22586561       0.93506085      -0.67935918       1.58857107 
H       1.49687526       1.07501830       0.24186437      -1.34970840      -2.69045687       4.01802931 
H       1.27761356       0.18220204       1.39362841      -0.41845259       2.99120842      -4.48607045 
H       0.23573857       1.52724172       1.27538150       0.83310014       0.37860763      -1.12052994