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=36351.335708512095 pbc="T F T" Lu -0.16111601 0.07784206 0.22963791 71 9586.32376091 -28827.49771339 -10023.07597761 Lu 1.45272007 1.48286125 0.43154983 71 24620.44403891 54599.84103264 -60282.74950249 Lu 1.39135403 0.12149403 1.65141300 71 17284.13158690 -69953.57201949 35704.03619903 Lu 0.13607519 1.49336785 1.71071836 71 -51490.89938672 44181.22870024 34601.78928107