1 Lattice="2.069548 -2.069548 0.0 -2.069548 0.0 -2.069548 2.069548 2.069548 0.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3.129978266342371 stress="-0.022429929837326012 1.2767402595974163e-18 0.0 1.2767402595974163e-18 -0.022429929837326012 2.5923660093348554e-20 0.0 2.5923660093348554e-20 -0.022429929837326" dipole="-8.630521851447477e-17 -5.670487572938806e-17 5.94516952791152e-16" pbc="T T T" Au 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -0.00000000