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=24.042360895416397 pbc="F T T" Xe 0.19062252 -0.13777337 -0.13834862 54 -57.98561713 2.05757894 38.03278438 Xe 1.21342147 1.41070866 -0.13113238 54 34.53097505 -30.33317340 31.88109910 Xe 1.57311721 -0.22214234 1.77555419 54 41.00873517 17.08451143 -47.53921519 Xe -0.20984175 1.18313207 1.62679267 54 -17.55409308 11.19108303 -22.37466829