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=0.975565824075 stress="-8.136602821603642 -0.39072317828998504 -0.22029206289436704 -0.39072317828998504 -9.453166872076102 -2.4763141033711142 -0.22029206289436704 -2.4763141033711142 -9.883947362148346" pbc="F F F" Au -0.13934333 0.17089611 -0.02988876 -15.16020011 -15.68893528 -10.49177381 Si 1.20220318 1.21755886 -0.14458569 12.86617387 9.39354885 -14.33559727 Si 1.39917148 0.26235339 1.34838096 10.70752032 -11.20385176 9.57937276 Au 0.21005355 1.71211731 1.44968690 -8.41349408 17.49923819 15.24799832