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=1697.460911498639 pbc="T F F" Xe -0.00548572 -0.15873180 -0.15859300 54 -856.81193612 -1497.89820503 -760.35610429 Xe 1.31668137 1.41986395 -0.25603453 54 2213.39975705 1370.01865274 -3622.48765058 Xe 1.37578640 0.27219963 1.43381326 54 1712.09854497 -2705.55831565 2157.19932396 Xe 0.13132919 1.75978669 1.22592512 54 -3068.68636590 2833.43786794 2225.64443092