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=794.2226232085396 stress="-4705.313604604251 1068.6804882128386 2614.597996963794 1068.6804882128386 -2301.1664914639796 97.8587640127655 2614.597996963794 97.8587640127655 -4090.738627684017" pbc="F F F" Hs -0.18459795 -0.20575345 0.26381219 -583.48480082 -130.22793875 -399.25863158 Hs 1.57107263 1.33880708 0.21828358 2956.76115732 140.98295155 -3238.48023140 Hs 1.46302952 -0.14704969 1.39684439 506.34433117 -1102.63412336 1180.21007571 Hs 0.27381375 1.76162420 1.32425922 -2879.62068768 1091.87911055 2457.52878727