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=0.06547559820085158 stress="-0.004072346602338529 -0.0112960049392816 0.0005112816258500158 -0.0112960049392816 -0.002139775786618782 -0.0008479489677313583 0.0005112816258500158 -0.0008479489677313583 -0.013087092323631347" free_energy=0.06547559820085158 pbc="F T F" H 0.21813893 2.76716069 0.19410236 0.05682335 -0.21888760 -0.08536574 H 1.33096497 1.38201197 0.22586561 -0.06498339 0.20110901 -0.16237623 H 1.79391194 2.72614529 1.52103145 0.11327214 0.05077324 0.10907358 H 0.18220204 1.39362841 1.73573857 -0.10511210 -0.03299464 0.13866839