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=90830.2622139 pbc="T T F" Ar 0.32451700 0.02460711 0.30204921 18 -440015.01947754 -2783.61030622 -334616.67511898 Ar 1.53848316 1.23865884 0.02461451 18 53366.69964276 70683.19656750 -43633.73593009 Ar 1.45789336 -0.11174318 1.27041603 18 401455.92475985 -59187.31628519 361333.69188509 Ar 0.20540217 1.53094224 1.79140871 18 -14807.60492507 -8712.26997610 16916.71916398