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=72.20339336492631 stress="-7.34625565774489 0.759312169052133 -0.4786766170868205 0.759312169052133 -8.062184274575275 -0.04618730822833962 -0.4786766170868205 -0.04618730822833962 -7.7606902154205315" free_energy=72.20339336492631 pbc="T T T" Au 2.85540510 0.11115480 0.11044915 25.62044206 -26.75055164 -6.47856728 Au 1.70960170 1.31143450 2.83833517 -40.78399359 12.24672921 5.19595007 Au 1.28829595 2.71189181 1.64041416 -8.38121993 13.15025122 -9.74028531 Au 2.77812781 1.47773705 1.32834452 23.54477146 1.35357120 11.02290252