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=18.186143467021154 pbc="F T F" Au 0.25978669 -0.27407488 -0.21495266 79 -18.31971076 11.15298723 -23.59072451 Au 1.68365717 1.70288723 0.08343331 79 27.75329709 -9.00235379 -15.46045423 Au 1.29585403 -0.05190546 1.72094491 79 17.80566752 9.17879402 22.55354161 Au 0.23171545 1.68190327 1.32183498 79 -27.23925385 -11.32942745 16.49763714