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=6.718996871707246 pbc="F F T" Au 0.21219253 -0.07514625 0.12990665 79 -16.14872393 -16.58444587 -4.80715780 Au 1.28220450 1.78278197 0.06210000 79 18.54070091 14.64679543 -3.86004893 Au 1.63362859 -0.17297059 1.47514463 79 17.27469396 -9.24358825 3.20514280 Au 0.04852473 1.55473499 1.41561068 79 -19.66667094 11.18123869 5.46206393