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=-27.336473799978315 stress="-0.0008414431726159775 -3.729096083578488e-05 0.00024142770623704536 -3.729096083578488e-05 -0.0006061015139170411 -0.00010548544687196459 0.00024142770623704536 -0.00010548544687196459 -0.0007733708726590999" pbc="F F F" Au 20.91870436 21.04860922 21.20118821 -0.43839232 -0.29187788 -1.14920795 Au 22.70960170 22.31143450 22.33833517 6.69210916 6.88639791 -6.82919532 Au 24.06049558 20.83509776 21.14041416 0.41168625 -2.40141736 -1.81822623 Au 25.27812781 22.45260211 22.45967371 2.83118063 2.67919045 -0.23268037 Au 21.13658074 23.95894820 21.38625107 -6.00709696 -3.87487602 -3.24240114 Au 22.56504129 25.20865944 22.36550211 -12.66236339 20.08942801 13.38457881 Au 23.78802619 24.22277084 21.18584377 15.96033943 -10.60399193 -15.83911911 Au 25.47948213 25.64391375 22.86779500 -0.07874983 -0.44327763 0.24041027 Au 21.50130950 21.35816560 23.67585976 -9.27910404 -7.15084133 9.64968062 Au 22.92215594 22.41692504 25.43520681 -2.93660615 0.64527903 3.13057365 Au 24.32126513 21.01984659 24.05215016 -1.69252560 -5.63868181 -1.92412980 Au 25.28492278 22.38825682 25.34076033 4.03234706 2.99004260 2.30689714 Au 21.24031092 24.17895518 24.34614370 -1.63376321 -1.68401020 -0.78904440 Au 22.53016427 25.66915196 25.55384723 0.97338015 0.73153210 0.74138518 Au 23.78091226 24.10609294 23.96603997 3.19775050 -2.22703093 1.69499044 Au 25.18317529 25.12026604 25.62403475 0.62980829 0.29413498 0.67548821