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=25.163244002873295 stress="-3.217707012618789 -0.046668493797445906 0.4212031181552203 -0.046668493797445906 -1.1226624173940223 0.22952089301831494 0.4212031181552203 0.22952089301831494 -1.9515104484527113" free_energy=25.163244002873295 pbc="T T T" O 2.70537046 0.01945387 2.77516603 -0.15503209 -0.35749951 0.56748610 Au 1.20330445 1.27975412 2.74840012 -11.92728813 -9.32466760 29.02169303 O 1.90830858 0.15139744 1.63480683 -0.27081980 -1.59607894 1.20682328 Au 2.61213428 1.62324216 1.74667518 12.35314002 11.27824605 -30.79600241