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=8.535731064130024 stress="-2.178773488116481 1.1324076970597 -0.2906422074571348 1.1324076970597 -1.605424948137334 0.1394746353993564 -0.2906422074571348 0.1394746353993564 -1.1892200041051297" free_energy=8.535731064130024 pbc="F F T" O 0.20470050 0.12749873 0.26807665 -5.59174012 -7.63127594 -1.90463853 O 1.61781300 1.66162860 0.17273809 6.72932955 6.60874427 0.33425239 Au 1.36129912 0.25219415 1.62370952 38.35646024 -31.03283764 5.90617655 Au 0.07924967 1.28416794 1.40870368 -39.49404967 32.05536931 -4.33579041