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=80.17405738680031 stress="-5.766125673883288 0.19802000772744863 1.6017653676999655 0.19802000772744863 -5.128482507900456 0.9485872049336871 1.6017653676999655 0.9485872049336871 -8.11453599303112" free_energy=80.17405738680031 pbc="F F T" Au 0.29874826 0.05835534 -0.25354363 -58.49115794 -53.34012944 26.48676858 Au 1.48193431 1.42001865 0.20070203 59.22803768 51.73758062 -27.47137493 Au 1.20342959 0.28187239 1.51001192 77.57122579 -60.12910965 -9.57577943 Au 0.10170120 1.37793365 1.21904386 -78.30810553 61.73165846 10.56038578