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=0.5918723550172251 stress="-1.241858725686767 -0.013958395150575717 -0.010748472144631038 -0.013958395150575717 -1.1789871961053675 -0.03699721850642068 -0.010748472144631038 -0.03699721850642068 -1.1875663233805223" pbc="F F F" H 0.26959405 0.17626233 -0.14597521 -0.35218466 -0.43682350 -0.56811780 H 1.70996341 1.49207130 0.15300231 0.47966657 0.46487823 -0.28502851 H 1.53848316 -0.04225341 1.41852158 0.32343970 -0.42033843 0.43478776 H -0.04210664 1.38825682 1.27041603 -0.45092162 0.39228371 0.41835855