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=5236.1292801877125 pbc="T T F" Xe 0.20996341 0.10662489 0.15300231 54 -13317.73743537 871.47898806 -11701.27682906 Xe 1.53848316 1.49028240 -0.08147842 54 2188.72639139 386.20551509 -3286.37973289 Xe 1.45789336 -0.11174318 1.27041603 54 15061.66784670 2818.73747558 12018.37859174 Xe 0.19178619 1.67895518 1.79140871 54 -3932.65680272 -4076.42197873 2969.27797021