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=6093.032777061426 stress="-967.8972981681078 201.57676257339426 -252.8998344833142 201.57676257339426 -913.9207781205469 -120.64933856489262 -252.8998344833142 -120.64933856489262 -845.2870888344519" free_energy=6093.032777061426 pbc="T T F"
Xe       0.18584377       0.18362810       0.19581920   -8065.50425218   -2404.51212353  -12371.02815731
Xe       1.56537167       1.72748741       0.17626233    2936.54641951    -294.61784104   -5338.30583104
Xe       1.35402479       0.20996341       1.49207130   12042.42898234   -4496.34346253   10792.73038894
Xe       0.15300231       1.53848316       1.45774659   -6913.47114966    7195.47342710    6916.60359940