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=9253.18052569814 stress="-1349.6435777273975 -236.3055567020849 34.89342299216225 -236.3055567020849 -1330.211273266251 -181.40399381783095 34.89342299216225 -181.40399381783095 -1453.9630337014155" free_energy=9253.18052569814 pbc="T F T" Xe -0.11174318 0.19178619 0.17895518 10286.05618181 -13146.54461368 -11425.50317168 Xe 1.79140871 1.61455359 0.09583508 -11185.06995951 9343.81543114 -5390.68808546 Xe 1.64904689 0.10609294 1.46603997 -17506.04960696 -15076.59352448 5291.03072602 Xe -0.19401975 1.32157598 1.51361598 18405.06338465 18879.32270702 11525.16053112