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=6455.068471519087 stress="-810.6972571157577 234.74677223958065 -189.64362518220253 234.74677223958065 -1077.0215958885424 -342.96221228156526 -189.64362518220253 -342.96221228156526 -996.3889542764957" free_energy=6455.068471519087 pbc="F T F"
Xe       0.11041876      -0.03194186       0.08611608   -9783.98518311   -1142.45956520  -12424.87859402
Xe       1.53369179       1.52598936       0.29874826    6089.17660619   -6792.53977313   -9773.16496356
Xe       1.27290972      -0.11909813       1.36136659   11044.89827307    3081.45860016   16620.05960843
Xe       0.05835534       1.24645637       1.48193431   -7350.08969615    4853.54073817    5577.98394915