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=-3.5473935408851682 stress="5.633363484135966 -0.345392733022046 0.4380216613515424 -0.345392733022046 5.259053914413019 0.21433720429726488 0.4380216613515424 0.21433720429726488 5.573309518840194" pbc="F F F" H 0.19178619 0.17895518 0.29140871 2.12639488 2.18256761 3.27153641 H 1.61455359 1.53253581 0.14904689 -1.49491106 -1.86582043 1.24760189 H 1.28091226 0.10609294 1.46603997 -2.54254633 1.95115318 -2.68255034 H -0.19401975 1.32157598 1.51361598 1.91106251 -2.26790036 -1.83658796