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=-0.7775890527429223 stress="-2.7073452920119916 1.3227214959282314 0.13623757605310338 1.3227214959282314 -2.764679603679771 0.4389888924297862 0.13623757605310338 0.4389888924297862 -1.548293420822131" pbc="F F F"
H      -0.23264389      -0.10631021      -0.25851365      -0.44046567      -0.17587698      -0.34150438 
H       1.33257245       1.53369179       0.02598936       0.23414174       0.85470771      -0.59998335 
H       1.22329650      -0.03624564       1.40583543       1.59657288      -1.81815597       0.55456663 
H      -0.24440284       1.20178472       1.79874826      -1.39024895       1.13932523       0.38692110