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=28.581374855252037 stress="-5.79610064485881 2.552238391045623 -0.357414556782907 2.552238391045623 -4.886507395079007 0.596176927002513 -0.357414556782907 0.596176927002513 -3.1862620765878" pbc="T F F" Xe -0.05636120 0.26390776 0.25943233 44.71403152 -69.03276897 -27.28373126 Xe 1.65951543 1.32143544 0.24909670 -51.03235809 78.38739034 -40.58866901 Xe 1.24903735 0.20310158 1.55092153 16.02022575 -41.65630247 47.24391136 Xe 0.16341367 1.70364412 1.45169443 -9.70189918 32.30168110 20.62848891