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=15319.205709194852 stress="-2556.833895901561 1122.2974183861845 549.7617349946233 1122.2974183861845 -2233.1047913865227 371.0904347912413 549.7617349946233 371.0904347912413 -2043.0396764348561" free_energy=15319.205709194852 pbc="F T T"
Xe       0.23171545       0.18190327      -0.17816502  -20059.17022267  -15895.93994079   26912.01866177
Xe       1.62780321       1.32965408       0.00710170    8247.72173100    9261.04579782    3290.63455618
Xe       1.28220450       0.28278197       1.56210000   51088.06403892  -37072.40117456  -19502.46804823
Xe       0.13362859       1.32702941       1.57034430  -39276.61554725   43707.29531753  -10700.18516972