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=-4.045828048254682 stress="-0.5540635775727494 0.06522518504435394 -0.006757571256080142 0.06522518504435394 -0.5422440522096454 -0.04096367513030327 -0.006757571256080142 -0.04096367513030327 -0.5647538906664017" pbc="T T T"
H       0.11042859       0.20947124      -0.14487149      -0.35638130      -4.03787444      -0.62304021 
H       1.55280714       1.41333883      -0.15344509      -2.26598694       1.77397112      -0.82500155 
H       1.52730018      -0.17769156       1.41049160      -2.27293941       1.62260885      -0.47801024 
H      -0.27713580       1.43858073       1.25205420       4.89530766       0.64129446       1.92605201