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=19601.842095043434 stress="-3870.2698721510747 -1976.290079976159 65.80954957427377 -1976.290079976159 -3370.8756321617325 594.2268082258138 65.80954957427377 594.2268082258138 -1963.407353915248" pbc="T T T" Rf -0.18115238 -0.13884223 0.20747288 6527.02365419 17120.15120762 -18228.24604149 Rf 1.57082099 1.48994950 -0.12321462 -2268.41450492 -11757.41001304 -519.47448562 Rf 1.38362058 -0.29411824 1.36520938 45414.19076967 52335.96706766 5576.13437240 Rf 0.19226931 1.63547981 1.45897249 -49672.79991895 -57698.70826224 13171.58615471