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=-3.881817609664065 stress="0.35497386574909634 -0.0036519408658155753 0.010220519281027836 -0.0036519408658155753 0.3160006565803477 0.05079902867220249 0.010220519281027836 0.05079902867220249 0.20661719455988947" pbc="T T F" H 0.11042859 0.20947124 0.05280714 0.89192530 1.84776766 1.78502827 H 1.41333883 1.34655491 0.15488783 -0.65993938 -1.12899016 1.96135094 H 1.55988540 -0.29754255 1.66431082 1.02441616 -1.46393324 -1.78168405 H -0.18574270 1.48844065 1.53277713 -1.25640208 0.74515575 -1.96469516