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=-0.20242769500334346 stress="0.060657863440496416 0.024843467901207127 0.0745884828766306 0.024843467901207127 0.054935806720889234 -0.05689894519178132 0.0745884828766306 -0.05689894519178132 0.11719061087306328" free_energy=-0.20242769500334346 pbc="F T T"
H       0.17000230       0.07769264       0.36998252      -0.24952084      -0.04107516      -0.06904507 
H       1.36810690       1.62937675       2.75818085      -1.72650825       1.40949330      -3.68641606 
H       1.43120354       2.79640878       1.71456242       0.18672781      -1.91842378       1.72991140 
H       0.27913633       1.35263676       1.68492541       1.78930128       0.55000564       2.02554974