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=-4.891170808807472 stress="0.28735629189618844 -0.024282522157197648 0.021971177529604823 -0.024282522157197648 0.32426363722173823 0.010776715014443163 0.021971177529604823 0.010776715014443163 0.32121053561049784" pbc="T T T" H -0.14459490 0.11115480 0.11044915 -0.93119146 1.45756221 0.46908973 H 1.70960170 1.31143450 -0.16166483 1.82182193 -0.94931989 -0.49846888 H 1.28829595 -0.16490224 1.64041416 0.22670958 0.13560236 0.69518032 H -0.22187219 1.39558290 1.32834452 -1.11734005 -0.64384468 -0.66580117