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=9253.164292803083 stress="-1349.6429685235973 -236.3055565990013 34.89342045476601 -236.3055565990013 -1330.2112698880387 -181.40399393494698 34.89342045476601 -181.40399393494698 -1453.9624292619037" free_energy=9253.164292803083 pbc="T F T" Xe -0.11174318 0.19178619 0.17895518 10286.05616177 -13146.54458219 -11425.50316388 Xe 1.79140871 1.61455359 0.09583508 -11185.06994601 9343.81538957 -5390.68808242 Xe 1.64904689 0.10609294 1.46603997 -17506.04958279 -15076.59348873 5291.03071690 Xe -0.19401975 1.32157598 1.51361598 18405.06336703 18879.32268134 11525.16052940