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=9397.417258699319 stress="-1477.9193600366582 763.3968641113134 -252.02396408116869 763.3968641113134 -1561.4335836551168 -251.61676713669968 -252.02396408116869 -251.61676713669968 -1153.4517728260307" free_energy=9397.417258699319 pbc="T F F"
Xe       0.15839933       0.09073906       0.27219963   -4818.56675922  -14227.24881551  -18355.66920657
Xe       1.43381326       1.63132919       0.25978669    4420.98021067    3784.07537553   -5441.15655605
Xe       1.22592512       0.18365717       1.70288723   25087.07964584  -21348.53433423   12139.63692524
Xe       0.08343331       1.29585403       1.44809454  -24689.49309729   31791.70777422   11657.18883737