64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-27.063675827325874 stress="-0.0007973479400780717 -0.0003073317719005188 -0.00045352394624699336 -0.0003073317719005188 -0.0009633210105971944 -5.5364862212183005e-05 -0.00045352394624699336 -5.5364862212183005e-05 -0.0009383143911892688" free_energy=-27.063675827325874 pbc="F F F" Al 34.70825069 35.15657301 34.95654606 0.84549328 1.30542748 0.89707672 N 36.74534309 36.49604476 36.22099705 -3.78507829 0.28469429 -1.01854860 Ti 38.01492069 37.21678582 35.05424963 -9.57915585 -28.69674819 -9.92864849 Ti 38.66484569 38.79510282 35.70864969 12.18472340 33.23303139 7.67925768 N 37.96231531 35.73870835 38.07170977 -0.14349952 -2.72572023 2.54928504 N 38.61617586 36.64985327 39.56822539 0.31441245 -0.25303648 -0.63886196 Al 34.65226782 37.48728190 37.41277711 -5.52609289 -3.58538695 -6.85632386 Al 36.01896344 38.07465946 38.62085007 3.39014072 4.56546949 2.91722139 Al 39.98427096 35.45407375 34.64929708 -9.49382576 -5.51270067 -8.39190118 Ti 41.39661844 36.25344453 35.87602910 7.96105988 9.10779403 7.41079379 N 42.53967568 38.35633418 34.65265426 -1.19854311 -1.06698214 0.55042462 N 44.20167532 38.78121167 36.30589912 -0.62491419 1.61316104 2.28470149 Al 42.92792357 35.13914239 37.36110765 -5.32754553 -18.59907566 -23.44264904 Ti 43.30248891 36.21642670 38.82856891 4.86696135 19.68311953 25.91465887 N 39.37217523 37.80058507 37.01607373 0.68367345 -4.54970451 -1.06321972 N 41.00280058 38.73149513 38.73205353 16.66899785 -16.40354527 -22.52146244 N 35.04081707 39.65893755 35.08189134 2.49785034 -0.35645307 3.41404524 Ti 36.48268522 41.03347237 35.90031146 -20.40564839 -12.17205908 1.48270065 Al 37.62225012 42.35003260 35.08909692 14.01282205 15.33664700 -9.94347386 Al 39.65745413 44.00705440 36.37465652 0.55041036 2.20598692 -2.21486160 Al 37.97285928 40.56828258 37.35983225 -7.70562011 -10.52444966 -3.76569779 N 39.13297417 40.87595539 38.45906501 5.11185512 -14.72523248 16.58553635 N 35.39854549 41.99651701 37.15746321 0.73144846 2.16359840 1.08504469 Al 36.08056626 43.85722290 39.07211219 0.75395676 -2.28616407 0.32438392 N 40.05808216 40.31016157 34.95513319 -2.03252508 1.08780733 2.20674226 Ti 41.68778770 40.57382612 36.13047276 -25.49586450 7.42756935 -34.77850996 Al 42.71336682 42.30316113 35.32767879 -16.41207691 -25.31734317 -17.01459645 Ti 43.36316492 43.32573999 35.76294691 18.51542196 30.98892766 15.26432951 Al 42.55611435 39.97951907 37.53551810 14.99554362 -24.79788352 29.05721601 Al 43.63771024 41.14787588 38.46631850 8.05964625 4.70818977 4.02074199 Ti 39.48112147 42.24817989 37.83311282 5.35329768 16.14845873 -4.98540664 Ti 41.56136907 43.08140058 38.68841542 -2.98618145 6.04992558 -8.77905421 Ti 35.14497979 35.31400870 39.77573466 -2.94888186 0.15873673 -7.90183375 N 35.80495009 35.45052493 41.25918987 1.00086203 1.70065684 7.92254869 N 37.36843211 37.58605416 39.66080247 3.08115747 0.60690938 3.40403441 Ti 38.81467131 38.57900654 41.23198745 -14.88031500 14.92496590 -43.63217280 N 37.95011556 35.02334659 42.97459326 -17.14821451 -16.80799002 -8.56633103 Al 38.97051569 35.97666350 43.50289939 14.79626913 8.56263160 16.30544978 Al 35.63764008 37.97246873 41.85601606 0.40953883 -1.18893048 -2.56876278 Al 36.80624568 38.73185468 43.90572073 -1.59065036 -3.54490769 5.77208785 Al 40.39337870 35.83342533 39.77418277 -1.51444202 1.21857934 -1.45249037 N 40.45327995 36.35610640 41.51529657 5.64513844 -7.78026522 -1.71280780 N 42.73187008 37.92620004 40.69435790 0.24837578 -3.03792126 -0.33568527 Al 44.04898447 39.05253107 40.70691116 3.02122238 2.72976270 0.57564245 Ti 42.79802678 35.12077654 42.88408640 -16.64381752 -10.88884552 -8.49053039 Al 44.24716111 36.21557392 43.59442878 15.52454982 12.02001373 7.75641103 Ti 39.62864027 37.58462416 42.31536861 20.03582185 -21.81779397 24.49572777 Ti 40.61770921 38.66098839 43.85147457 -0.85025443 1.42473709 10.45497773 N 35.41447482 40.01825546 39.85887801 1.40815865 -1.33038397 1.15822265 Ti 36.45475220 41.62209946 41.43315642 2.74749031 2.24542069 -5.85138106 N 38.14241179 42.44323946 40.83626492 0.28810577 0.99790486 -0.75430897 N 38.52019431 44.07605322 40.93474523 -1.40204430 0.13046076 0.69978384 Ti 37.60905276 39.77413024 42.16264539 -7.77624134 13.45135086 8.72620902 N 38.78597891 40.94072530 43.55081657 1.50923127 -0.23037744 -0.64730059 Al 34.58229756 42.13309472 42.39580055 -5.17480753 2.23148720 3.11693716 Ti 36.25147658 44.12319549 43.29966370 0.14983319 -0.68787063 -0.91926231 Ti 40.36636343 39.52836546 39.69267455 -14.37265816 21.02303308 17.83070087 Ti 41.14318800 41.36198371 41.58785572 -6.79924233 6.88915555 -5.67736233 Al 42.88691646 42.35006797 40.14120336 -18.90479238 -27.10061512 -13.55774486 Ti 43.94034826 43.41004333 41.11786347 24.26433570 24.97977274 23.87642053 Ti 42.05527621 40.09997162 42.99228522 4.77661916 -5.60118364 0.57659059 N 43.38851501 40.95345957 43.57820270 5.41083906 4.13950379 3.16634384 Al 39.16775744 42.91624046 43.14465294 -2.49163595 -2.14732050 -1.10614189 Al 41.53725965 43.23907921 43.69961911 1.39930549 -1.60800023 -0.96491641