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=3252.0154257704244 pbc="F T T" Xe -0.25336477 -0.01297511 -0.05142115 54 -1074.46422194 -2365.83402358 -1492.74227303 Xe 1.68843096 1.45809149 0.29169807 54 3038.49710260 2423.24540846 -3662.37497028 Xe 1.46863002 0.22726334 1.53851086 54 2159.40916827 -3871.31767357 2255.09091990 Xe 0.14982991 1.24795387 1.32929456 54 -4123.44204894 3813.90628869 2900.02632342