64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=87.55286643 stress="-0.7522915567838773 -0.16541878492330692 0.03874980796954489 -0.16541878492330692 -0.6791689417097003 -0.0800505545351341 0.03874980796954489 -0.0800505545351341 -0.6341346868480912" pbc="F F F" N 0.26302307 -0.18784121 -0.01832697 1.79014043 1.47893481 1.32122709 Ti 1.92488483 1.06685774 1.21531354 -5.03454181 -2.46604924 0.35833183 Ti 2.60197821 2.51876454 -0.45085402 1.20441458 2.96719095 -3.45570066 Al 3.64888545 4.10609724 1.21105166 -124.86110120 -53.39635666 121.95010885 N 2.84576017 -0.15347732 2.13392011 1.20141670 -1.24990496 3.59512293 Ti 2.97076079 1.38304871 3.68787395 2.50662785 -3.18678267 -5.89104444 N 0.32935914 2.67452699 3.36258716 -10.31189452 2.62361332 -16.34271831 N 1.23048449 3.40865764 3.66839203 3.00866787 -4.71215774 11.30613998 N 5.12620361 0.36494779 0.10402468 -0.72174834 -0.82268798 -1.03212862 N 5.75097913 1.73913490 1.71860880 35.30098809 -122.40652558 -60.95627644 N 6.89618908 2.45693129 -0.23850929 5.64951711 1.99953210 -0.06434801 Al 8.44904118 3.60581268 1.04486025 11.36640568 -16.52163863 -34.48761012 Ti 7.61890098 -0.35455437 2.47412918 -1.60831188 -0.40774773 -0.34775263 Al 8.78547787 1.46931646 3.63514132 -0.12031055 1.65749735 0.36152727 Ti 5.47459326 2.72051569 2.22666350 -37.31894350 120.02366464 61.07668465 Al 6.00289939 4.06725880 4.02672081 47.82348057 -23.80112335 -19.98846616 Al 0.03661892 5.26817014 -0.13990461 1.24512640 0.60490804 0.01612624 N 1.77230751 6.62625137 1.98203551 1.12192831 -1.88504593 -0.31585760 N 2.27389654 7.47216451 -0.10970811 -0.81073291 -0.71162996 -2.73389595 N 3.49004496 8.94207492 1.17949168 -12.02818136 15.81169312 -16.57085412 N 2.48398125 5.41354637 2.39314410 2.97532932 0.50909650 -0.68660578 Al 3.62593432 6.54802678 3.87077654 33.08627856 -25.07888670 -50.04014442 N 0.24965036 7.51731573 2.95210359 -19.71328893 -11.46478040 -23.37271533 Al 1.07985305 8.08714680 3.99727441 5.73554613 18.53432269 17.68115267 N 4.40648787 4.46113070 0.44974374 121.65887208 54.85798179 -119.64410558 Ti 6.47853071 6.43111706 1.37713831 -37.39803485 -29.66475438 34.66352137 Ti 7.50948789 7.26109180 0.41374457 30.15372352 18.99784210 -36.73023257 Al 8.67443031 8.92604377 0.77116024 6.82257966 10.10290074 2.85809941 Al 7.98108551 4.24946316 2.36847514 -13.48930388 14.61635307 32.07814016 Al 8.61303167 6.38846512 3.15045676 1.46983335 -0.35446790 -1.80843220 Ti 4.22594424 8.15451943 2.14699465 11.88205240 -14.25380726 15.54149418 Ti 6.43036215 8.33229756 3.45808496 -29.71957436 41.16963656 -43.57630130 Al -0.05462684 0.47108574 4.68245155 0.26236744 -0.26730756 0.58080386 N 1.10981240 1.61636343 5.38492706 -134.10897078 -132.41835131 17.43676523 Al 1.89972131 2.39318800 5.31151741 137.65622227 136.81055985 -7.24994534 N 3.51773946 4.19940240 6.39344647 3.19162327 -7.26148693 -14.07503417 N 2.54271662 0.35628709 6.70242684 0.71906425 -1.17577371 1.96975776 Al 3.60024002 1.06720405 9.02499063 1.24190349 0.71731584 -3.06288335 Al -0.07859451 2.29965581 7.60243452 1.15659404 -0.41763446 -1.54084078 Al 1.51046994 3.64961188 8.95108513 -1.07203362 -0.51079423 2.39775579 Ti 5.39584739 0.23376922 4.71987830 -35.46588246 -20.47425458 -49.40027056 Al 6.33782439 0.78216122 5.96118567 -5.60932243 25.40918182 18.73735083 N 6.77498478 2.90264770 4.94213023 5.34894817 -8.02489565 4.50950957 Ti 8.62656838 3.85930523 6.15262709 -1.88170710 -1.42328333 -2.03796837 N 7.38072949 0.77844622 6.87210291 44.05547322 -6.17641093 29.70248295 Ti 8.25096088 1.82071378 7.96784168 1.84534573 1.24452569 1.97840201 N 5.32511300 1.60547938 7.59630744 -2.64518402 1.41428800 1.05580520 Ti 6.32133954 3.44854090 8.53777812 -2.03476593 -0.01172182 -0.72123285 Ti 0.61817406 4.50096002 5.43507224 -18.17023025 -13.52494919 -14.96145009 N 0.88402891 6.07208664 5.39987300 19.51324433 3.34961276 15.87376380 Ti 2.72403494 7.33477427 4.92730245 -31.66896793 27.10288198 54.95124983 Ti 4.32043873 9.16025546 5.97574105 0.92437536 0.54586876 -0.71274744 Al 2.76912002 5.01772664 7.60407609 -11.24881642 13.40533251 3.77638482 Al 4.14292777 6.12312343 8.30412809 -21.21238386 -36.65713121 16.23777612 Ti -0.01750800 7.46949475 7.84902926 0.29784948 -1.87534165 -2.51545474 Al 1.56555359 8.90696269 8.82530475 2.28673912 1.09905866 0.59961184 Ti 4.67921781 4.91554559 4.52036106 -44.03686185 21.95264503 27.04713259 N 5.99536072 5.56867019 6.75418083 -0.01450971 1.40395911 -1.31411771 Al 7.15584488 7.34539990 4.52302857 28.01226548 -40.53796105 46.86572101 Al 8.62883623 8.89031846 6.20150633 -0.23906517 -0.28558653 0.90171166 Ti 7.64501546 5.58325863 7.85970483 -18.64673037 -10.89148485 -13.74612684 Ti 8.91915095 6.49648338 8.87635668 18.51153795 14.45675083 14.91804767 Ti 5.08856915 7.50130041 7.91518154 14.60327088 29.83402181 -25.34327253 Al 6.34975546 8.35815894 9.08941668 15.56164692 9.61754565 12.37882585