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=6093.016547328536 stress="-967.8966894294389 201.57676138004723 -252.89983517387554 201.57676138004723 -913.9201737024089 -120.64933875852566 -252.89983517387554 -120.64933875852566 -845.2870856719472" pbc="T T F" Xe 0.18584377 0.18362810 0.19581920 -8065.50424585 -2404.51212334 -12371.02812555 Xe 1.56537167 1.72748741 0.17626233 2936.54639874 -294.61784514 -5338.30579659 Xe 1.35402479 0.20996341 1.49207130 12042.42898294 -4496.34345621 10792.73035529 Xe 0.15300231 1.53848316 1.45774659 -6913.47113583 7195.47342469 6916.60356685