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=0.16993617761378177 stress="-0.41516270988994847 0.017605650534727055 -0.034259555613428166 0.017605650534727055 -0.37693135673229966 -0.01472196087132771 -0.034259555613428166 -0.01472196087132771 -0.38094291103902966" pbc="F F F" H -0.14459490 0.11115480 0.11044915 -0.15127257 -0.14511633 -0.16896514 H 1.70960170 1.31143450 -0.16166483 0.12607951 0.08506187 -0.08754421 H 1.28829595 -0.16490224 1.64041416 0.12139931 -0.11302466 0.14329932 H -0.22187219 1.51878885 1.32834452 -0.09620625 0.17307912 0.11321002