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=9397.405865802013 stress="-1477.9189186457193 763.3968614145606 -252.02396866468754 763.3968614145606 -1561.4335806343663 -251.61676749100891 -252.02396866468754 -251.61676749100891 -1153.4517704860887" free_energy=9397.405865802013 pbc="T F F"
Xe       0.15839933       0.09073906       0.27219963   -4818.56694149  -14227.24878230  -18355.66917809
Xe       1.43381326       1.63132919       0.25978669    4420.98032243    3784.07534034   -5441.15653838
Xe       1.22592512       0.18365717       1.70288723   25087.07981159  -21348.53430750   12139.63689112
Xe       0.08343331       1.29585403       1.44809454  -24689.49319253   31791.70774946   11657.18882535