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=-0.08162122001095952 stress="0.047361228401052564 0.001074749137844682 0.0026147172393189986 0.001074749137844682 0.05999043500187266 -0.007528664944250544 0.0026147172393189986 -0.007528664944250544 0.07432118197290033" free_energy=-0.08162122001095952 pbc="F F T"
H       0.07120672       0.22083292       2.78984966       0.54293097       0.69663573      -0.95028649 
H       1.48735431       1.42299150       2.90698366      -0.51230762      -0.45816859      -0.99768750 
H       1.45029290       0.15133514       1.78740593      -0.46038044       0.55935856       0.81756847 
H       0.26120756       1.51193751       1.75226748       0.42975709      -0.79782570       1.13040551