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=25.964634875151223 pbc="T F T" Au 0.20996341 -0.00792870 0.15300231 79 -10.97597182 -21.62238930 -7.25826901 Au 1.53848316 1.45774659 -0.08147842 79 8.41868516 21.41389744 5.97924529 Au 1.45789336 -0.11174318 1.27041603 79 9.71693360 -21.78627244 11.02918561 Au 0.19178619 1.67895518 1.79140871 79 -7.15964693 21.99476430 -9.75016189