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=-29.544966766998787 stress="-0.00045026831742634636 1.537246155377587e-05 0.00010825802579447202 1.537246155377587e-05 -0.0002912243439088877 -5.913390592447155e-05 0.00010825802579447202 -5.913390592447155e-05 -0.0003871914079467821" pbc="F F F" Al 20.91870436 21.04860922 21.20118821 -0.65714559 -0.36185028 -0.70209864 Al 22.70960170 22.31143450 22.33833517 -2.48851297 5.06563172 0.84560424 Al 23.78829595 20.83509776 21.14041416 1.73883772 -2.70549624 -2.47770638 Al 25.27812781 22.51878885 22.60054414 1.82878478 1.01443691 -0.62411476 Al 20.87679405 23.95894820 21.13640716 -0.87724289 -1.03637011 -0.34663026 Al 22.56504129 25.20865944 22.36550211 -3.54097674 5.29301665 3.98993548 Al 23.78802619 24.22277084 21.18584377 4.45710677 -3.02971640 -5.23316380 Al 25.40955323 25.48086654 22.83050726 0.62383985 0.29114587 -1.10791421 Al 21.26959405 21.17626233 23.85402479 -1.75646808 -0.45240366 1.39209276 Al 22.91285063 22.57550460 25.65300231 -1.88401379 -1.43159273 2.34094769 Al 23.83433719 20.95774659 23.86661612 0.93779710 -2.93423185 1.59029686 Al 25.45789336 22.38825682 25.27041603 1.28421846 0.51743112 0.56308158 Al 21.19178619 24.17895518 24.29140871 -1.71209931 -1.07528821 -0.58933676 Al 22.83549850 25.53253581 25.64904689 -1.91563548 2.42075781 2.43039929 Al 23.78091226 24.10609294 24.19775543 1.55710610 -2.32391573 -3.89778836 Al 25.30598025 25.50347925 25.33545096 2.40440407 0.74844512 1.82639526