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=49.86027505903956 stress="-7.337576000816417 -2.549997348408535 0.35626822779476713 -2.549997348408535 -10.211818344218337 -1.360408510651314 0.35626822779476713 -1.360408510651314 -6.695176573840304" pbc="T T T"
Xe       0.22102879       0.26302347       0.17490310    -114.74874064    -174.63861704     -93.50879391 
Xe       1.23212125       1.46868671      -0.02170845     106.33523564     113.63896643     -32.15171336 
Xe       1.27290680      -0.16724604       1.44077892      40.93551853      -8.74342031      46.77132714 
Xe      -0.22936504       1.40540192       1.25619733     -32.52201352      69.74307092      78.88918013