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=6093.109130370964 stress="-967.9002514020054 201.57679146176122 -252.89982869494628 201.57679146176122 -913.923730220883 -120.64934523253426 -252.89982869494628 -120.64934523253426 -845.2871190575316" pbc="T T F" Xe 0.18584377 0.18362810 0.19581920 -8065.50412879 -2404.51216989 -12371.02846283 Xe 1.56537167 1.72748741 0.17626233 2936.54641219 -294.61793244 -5338.30615844 Xe 1.35402479 0.20996341 1.49207130 12042.42869246 -4496.34333448 10792.73070708 Xe 0.15300231 1.53848316 1.45774659 -6913.47097586 7195.47343682 6916.60391419