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=0.9273501727540046 stress="-1.6736030029548696 0.12523842966344267 -0.19431873480294082 0.12523842966344267 -1.4056666366937183 -0.1086255611000082 -0.19431873480294082 -0.1086255611000082 -1.6713253998595448" pbc="F F F"
H       0.19178619       0.17895518       0.29140871      -0.65712948      -0.59934595      -1.02226368 
H       1.61455359       1.53253581       0.14904689       0.41850750       0.47501588      -0.33753379 
H       1.28091226       0.10609294       1.46603997       0.79341009      -0.51060541       0.81303324 
H      -0.19401975       1.32157598       1.51361598      -0.55478812       0.63493548       0.54676423