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:Z:I:1:forces:R:3 energy=1956.2252836792702 pbc="T T F"
Xe      -0.08386700      -0.13475200       0.06018015       54    1232.10603537    4550.40787055   -2215.54291623 
Xe       1.47815624       1.62421959       0.07216330       54    -813.55441555   -3119.31545694   -1947.06436786 
Xe       1.38011746       0.19049999       1.62955945       54    1838.68689821    -721.63798340    1368.50433552 
Xe       0.09509663       1.59938857       1.55440657       54   -2257.23851804    -709.45443021    2794.10294858