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=-0.06880192245217083 stress="0.06346260049371742 -0.0033863217485221426 0.033050322716498694 -0.0033863217485221426 0.011782246618360042 -0.018275648694745676 0.033050322716498694 -0.018275648694745676 0.06619678927872183" free_energy=-0.06880192245217083 pbc="T F T" H -0.10637159 0.23573857 0.02724172 0.33520411 0.18571086 0.22112599 H 1.27538150 1.21490084 -0.15112699 -1.46702975 -0.13142022 -0.79069318 H 1.72083292 0.43333858 1.32825321 0.01385328 0.09889726 -0.42057444 H 0.13102478 1.59995250 1.76120756 1.11797236 -0.15318791 0.99014163