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=66539.0098262 pbc="T F F" Xe 0.31155225 -0.10538552 -0.09983869 54 -33775.96930586 -65343.48332566 -46011.99877527 Xe 1.28057544 1.47925830 0.11801173 54 152411.47669006 91506.56679946 -152966.58568515 Xe 1.49098392 0.06963599 1.50772681 54 77409.48774923 -89205.41033968 45066.73541438 Xe 0.14197282 1.20011934 1.32605341 54 -196044.99513343 63042.32686588 153911.84904605