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=1.620923461508334 stress="-0.11481971818676928 -0.013917458137764486 -0.003925320246489765 -0.013917458137764486 -0.13794368506161764 0.011483160334575455 -0.003925320246489765 0.011483160334575455 -0.09098286783326186" pbc="T T F" H -0.29134056 -0.13449789 0.22277084 0.67020612 0.65039310 -0.88383017 H 1.68584377 1.68362810 0.19581920 -0.80413058 -0.42732087 -0.91341044 H 1.64685009 0.42259636 1.67626233 -0.46516573 -0.20856958 0.81807018 H -0.14597521 1.70996341 1.49207130 0.59909018 -0.01450265 0.97917043