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=81.80103389312153 stress="-7.753145587583032 0.6265806224181447 -0.48736089597404814 0.6265806224181447 -7.790183624188082 -0.7326635774703314 -0.48736089597404814 -0.7326635774703314 -8.895462486355223" free_energy=81.80103389312153 pbc="T T T" Au -0.14459490 0.11115480 0.11044915 25.87477859 -53.37798417 -14.48875981 Au 1.70960170 1.31143450 -0.16166483 -40.13833386 44.10008848 7.40363856 Au 1.28829595 0.03769167 1.64041416 -9.03104334 -35.48344310 -11.81532265 Au -0.22187219 1.22744829 1.32834452 23.29459861 44.76133879 18.90044390