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=471.56788737944106 pbc="F T T" Xe 0.18168807 0.14109445 0.12192075 54 -442.98001731 -390.17216581 -7.88105815 Mo 1.45376057 1.22340307 0.07155315 42 447.86065787 747.74096289 -15.83749707 U 1.46781377 0.13443557 1.54644786 92 328.79160136 -546.37068504 10.90189263 Mo -0.05874960 1.44622187 1.47664496 42 -333.67224192 188.80188796 12.81666259