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=-6.98609095737 stress="-2.5467243816536245 -1.391644857428595 0.10045204109532149 -1.391644857428595 -2.0270122860815025 -0.37925962169607336 0.10045204109532149 -0.37925962169607336 -1.7341327664873856" pbc="F F F" Au -0.12029223 0.27711528 -0.12128882 -11.67173643 -9.41416989 -2.08898319 Si 1.25213077 1.23125112 -0.28175649 10.94682730 7.52902553 -4.04920498 Si 1.59077025 -0.16242803 1.50394077 1.19672254 -1.70557161 1.51643583 Au 0.37700934 1.79977655 1.68543805 -0.47181341 3.59071598 4.62175234