32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=23.3637693814 stress="-3.5593571304527223 0.18169160446463908 0.02694639094333189 0.18169160446463908 -2.545684200845584 -0.3548858092764246 0.02694639094333189 -0.3548858092764246 -2.825686796632534" pbc="F F F" Ti 0.06742439 0.34306315 -0.22618698 -5.27690002 -3.22732944 -2.00081465 N 1.41738082 1.50009506 0.14803915 -3.38572934 -2.13047616 -11.13928302 N 1.24474830 0.14526935 1.30792181 6.66651677 -14.77323729 1.10409761 N 0.07797747 1.89835928 1.67918122 -22.36313433 -0.38925917 6.67003615 Al 2.79902738 0.16192607 -0.00490765 1.34517854 -22.80499021 -20.42551283 Al 4.53099333 1.69045800 0.07166715 11.44461121 -13.74332939 -22.85158911 Ti 4.42588762 -0.28776729 1.67379638 9.30997423 -7.18205154 -2.94546384 Ti 2.90411058 1.45742157 1.37252202 -5.18038856 19.11069100 18.24519769 Al 0.03320948 2.94057204 0.20040666 -5.60451988 -6.91768464 -8.44046769 Ti 1.57266044 4.53502127 0.16980798 -5.94241666 21.54440080 -10.89739549 N 1.46427615 3.02184289 1.65019543 11.13732284 23.33905805 17.71778462 Al 0.13350600 4.64618898 1.73454065 -13.86570770 9.99351970 3.88219701 Al 2.84252352 3.07100990 -0.18694490 -0.88061058 -17.01509385 -13.23187657 N 4.07867071 4.17717187 0.07421485 7.01077100 8.97758788 -0.65371760 Al 4.73956773 2.72557373 1.40977949 13.84517309 13.01318688 15.15186874 Ti 3.14408857 4.47537525 1.70902946 -23.20582514 -4.69762470 -19.61966647 Ti -0.20409991 0.16265408 2.95874788 -13.31582590 -17.47308068 -16.43242971 Ti 1.54052745 1.23417086 2.94170993 -19.78576838 39.89070645 -13.48034376 Ti 1.81337853 0.14109445 4.53839703 -35.39086402 -27.35190154 51.86930342 Al -0.04623943 1.22340307 4.61951579 -8.02024853 13.95952368 19.27163606 Ti 2.96781377 0.13443557 3.30013626 41.58455764 -24.65506525 -34.03506807 N 4.54762072 1.72475079 3.07668100 7.38030288 -9.69059720 -1.72050379 Al 4.56106006 -0.17106611 4.58670920 12.19583727 1.34914110 4.96541956 N 2.83601761 1.31291200 4.77547645 8.16316271 13.23004437 7.08350829 N 0.17967459 3.13165070 2.77906463 -7.68789740 -12.58613909 -8.14380159 N 1.67858111 4.58352372 2.59026674 5.00314656 10.41992829 2.49494180 N 1.26820562 3.08514990 4.76111147 2.24435809 -3.51172510 12.21436827 Al 0.22976552 4.28102058 4.29241873 -3.50556093 1.92842891 -1.63153700 N 3.19736496 2.66867376 3.13856038 0.39605722 -1.62653573 -6.14184640 Al 4.49965461 4.77820060 2.78858747 36.03920070 14.47534966 21.06789287 Al 4.67621204 3.13215382 4.21035018 14.49497172 -6.71029405 8.08228882 Ti 3.03922890 4.37689326 4.50249099 -14.84974512 5.25484826 3.97077665