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:forces:R:3 energy=28.173392437141878 stress="-4.106558542674577 -0.6205486358734886 -0.3162184760439754 -0.6205486358734886 -6.140583952325168 0.3778241972597603 -0.3162184760439754 0.3778241972597603 -3.780578464422208" pbc="F T F" Au 0.04852473 0.01848935 0.13661615 -52.79271295 -3.50501391 -45.03628273 Au 1.40480033 1.28303047 0.11041876 35.14140047 10.07987891 -37.48030162 Au 1.26735611 -0.16466555 1.24148635 52.95462279 2.81981420 47.63604898 Au 0.08611608 1.53369179 1.52598936 -35.30331032 -9.39467919 34.88053537