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=76.67693795369425 stress="-5.928675359374411 -1.2365728752646294 1.6887337397034135 -1.2365728752646294 -10.615312389053168 1.822771242352528 1.6887337397034135 1.822771242352528 -9.74351080158242" pbc="F T T" Au 0.22094491 0.23171545 0.18190327 -54.81491826 -0.95404559 -18.43004972 Au 1.32183498 1.71219253 -0.07514625 53.02177755 -61.95731738 45.10859376 Au 1.62990665 -0.21779550 1.78278197 65.05133638 71.17511099 -63.46009847 Au 0.06210000 1.70397289 1.32702941 -63.25819567 -8.26374803 36.78155443