16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-39.04699093854792 stress="-0.00042693772005943895 -2.402017486534846e-05 -0.00010345058513063486 -2.402017486534846e-05 -0.0004900058341277797 -9.68313349345741e-05 -0.00010345058513063486 -9.68313349345741e-05 -0.00044983281676003883" pbc="F F F" Au 21.13791048 21.06210000 21.13362859 -0.17117861 -0.68137632 -0.71587212 Au 22.32702941 22.57034430 22.54852473 4.53249977 -2.30242224 -0.30080979 Au 24.05473499 20.91561068 21.18942328 -2.68125247 -1.86101307 -1.27524487 Au 25.40480033 22.29053387 22.29869006 2.75619478 1.47637435 3.21783085 Au 21.26530659 23.82724151 20.99964527 -1.80326026 1.24389860 -2.67302311 Au 22.24148635 25.58611608 22.53369179 1.57697516 2.03586698 -1.68912110 Au 24.02598936 23.72329650 20.96375436 -1.93721259 -0.26510429 -2.55550803 Au 25.22009273 25.24403781 22.20178472 1.24460420 1.57994374 1.09610260 Au 21.33152540 20.77290972 23.78062161 -1.45711100 -1.81136289 0.12907657 Au 22.36136659 22.55835534 25.24645637 1.54766975 -2.53866529 5.13132073 Au 23.85559567 20.92001865 24.20070203 0.76075205 -1.69785967 -1.62916109 Au 25.20342959 22.40085166 25.49793547 0.68840037 1.08165844 0.44553351 Au 21.28187239 24.01001192 23.98453339 -8.27961943 1.60449594 -1.11629181 Au 22.60170120 25.37793365 25.21904386 -2.70430893 6.54767644 6.20067010 Au 24.00082602 24.24624097 24.14302402 3.63809088 -5.96821019 -6.34253200 Au 25.31596567 25.39262166 25.47663193 2.28875632 1.55609948 2.07702955