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:Z:I:1:forces:R:3 energy=299.97186799823623 pbc="T F T" Mo 0.17918122 0.05957798 0.16192607 42 -224.52630669 -346.50288900 -78.34643198 U 1.36761437 1.53099333 0.19045800 92 179.02219665 555.91660563 -175.10083677 Mo 1.51223920 -0.07411238 1.21223271 42 70.10309349 -350.14448543 185.02026029 Xe 0.37420304 1.40411058 1.42169772 54 -24.59898345 140.73076879 68.42700846