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=8693.391012364931 stress="-1441.0668113865581 471.1269248481151 -435.32673020641784 471.1269248481151 -1212.8563686580512 -221.29293945250555 -435.32673020641784 -221.29293945250555 -1236.1646789630554" free_energy=8693.391012364931 pbc="T T T"
Xe      -0.14459490       0.11115480      -0.01275680   14441.19662569  -15741.28403235    -978.55598038
Xe       1.70960170       1.31143450       0.04092907  -24729.11579606   14800.66196492   -9547.98902544
Xe       1.35333724       0.05786860       1.64041416   -1504.40273595   -2943.11356548   -2654.05466081
Xe      -0.22187219       1.51878885       1.32834452   11792.32190632    3883.73563291   13180.59966664