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=-71.5961595127169 stress="-0.0007093903484594332 -1.1191139436715851e-05 2.3376667134527733e-05 -1.1191139436715851e-05 -0.00036921305562285725 -0.0003340252633815897 2.3376667134527733e-05 -0.0003340252633815897 -0.0006004659725355498" pbc="F F F" Re 20.91870436 21.04860922 21.20118821 -0.34550659 0.01465747 -0.73979142 Re 22.70960170 22.31143450 22.33833517 -2.30712001 11.99975196 3.34525243 Re 23.78829595 20.83509776 21.14041416 2.79977878 -6.69017101 -5.45550200 Re 25.27812781 22.51878885 22.32834452 3.33276501 2.80306878 2.31481973 Re 21.14899368 23.95894820 21.13640716 -5.59496496 -5.22824007 -3.17792925 Re 22.56504129 25.20865944 22.36550211 -6.84196277 15.39700133 13.82253386 Re 23.78802619 24.22277084 21.18584377 12.99252097 -6.99122516 -11.74911661 Re 25.68362810 25.69581920 22.77817929 -3.06243199 -2.67722646 0.29087031 Re 21.26959405 21.43604902 23.85402479 -10.05755342 -6.63511156 -4.13783993 Re 22.43588853 22.27711863 25.44885634 7.75711618 4.69844242 8.58494632 Re 24.03848316 20.95774659 23.86661612 0.62667807 -1.69429030 2.69506989 Re 25.67883827 22.38825682 25.50213148 -2.78505492 1.97291250 -2.34144050 Re 21.19178619 24.17895518 24.29140871 -3.73313220 -3.24817145 -4.47950714 Re 22.61455359 25.53253581 25.64904689 -1.09203435 3.94932862 4.32541778 Re 23.78091226 24.10609294 24.14794325 3.75434478 -9.32515223 -5.25312315 Re 25.12781522 25.53376851 25.43846973 4.55655740 1.65442516 1.95533968