32 Lattice="7.837899751365585 0.0 0.0 0.0 7.837899751365585 0.0 0.0 0.0 7.837899751365585" Properties=species:S:1:pos:R:3:forces:R:3 energy=-106.43106707467133 stress="-0.00443390473205232 -0.0003515681536570946 -0.0003439974441395477 -0.0003515681536570946 -0.008215196045498138 0.00039653873756269667 -0.0003439974441395477 0.00039653873756269667 -0.010578070849441377" pbc="F F F" Ti 0.04962746 0.03019730 0.00884169 -0.15569111 0.01690919 -0.06116526 Al 1.96276255 1.99241562 0.00779500 0.66658306 -0.15898748 -0.54979488 Al 1.96370570 0.01246458 1.93625463 0.67745790 -0.02772202 0.52801213 Ti 0.02593039 1.96141252 1.91697959 -0.81510892 0.00831073 0.63969794 Al 3.94458270 0.00881407 0.00294560 -0.48038195 0.40294020 0.37083835 Al 5.91586938 1.96098922 0.01624806 -0.35044143 0.43388723 0.31736783 Al 5.90202180 0.02480446 1.95822092 -0.24452197 -0.05291099 0.13491689 Al 3.95323217 1.94427814 1.99175639 -1.03570511 -0.03276762 -0.78032977 Al 0.00658248 3.89564495 0.03004176 0.14577212 -0.00158371 -0.16827489 Al 1.99153476 5.84199321 0.03389755 -0.28197912 0.49366976 -0.24759196 Ti 1.97747630 3.92091664 1.95649071 -0.26816368 -0.20828121 0.49793019 Al 0.01156370 5.91423397 1.95406089 0.35967344 -0.51288445 0.38581364 Ti 3.89233481 3.93193594 0.00342112 0.80228847 -0.48633786 -0.49534307 Al 5.89294747 5.90690238 0.00254772 -0.45580400 -0.43931579 0.48992046 Ti 5.89998662 3.95298040 1.98676290 0.73753980 -0.49597958 -0.65367186 Ti 3.92739248 5.88783259 1.99486289 -0.11588429 0.88862482 -0.48828552 Al 0.01637640 0.00954032 3.91036132 0.17493747 -0.13495083 -0.65691192 Al 1.92090277 1.95555051 3.94149236 0.70764169 0.16434382 -1.41576608 Ti 1.97321998 0.00328461 5.88808267 0.20963017 -0.32779507 0.30070863 Ti 0.03581438 1.93587177 5.84405863 -0.44035905 0.41449588 0.80368206 Ti 3.89413550 0.01823431 3.93651250 -0.04555224 -1.00511580 -0.50973419 Ti 5.85330319 1.94830480 3.88294821 1.14647341 0.40623428 0.43984756 Al 5.85625209 0.04249665 5.87229799 -0.09511095 -0.03919396 -0.13445683 Ti 3.93678928 1.96802706 5.84154124 -0.09519976 0.31026528 0.84737513 Al 0.00775967 3.88944478 3.90577221 -0.18928987 0.25067057 -0.36071052 Al 1.95493589 5.89555074 3.89692153 -0.16389934 0.50732257 -0.24021135 Ti 2.03161074 3.91273833 5.85161074 -0.46474171 0.19449561 0.76557148 Ti 0.03456916 5.87780377 5.87304432 0.28117159 -0.42391918 -0.14278222 Ti 3.94457565 3.95508310 3.89284164 -0.37977290 -0.54389186 0.28837728 Ti 5.88234127 5.86134897 3.88766896 0.40299079 0.50995886 0.22695255 Al 5.89878116 3.93807304 5.91100199 -0.13825934 -0.38421046 -0.30353709 Ti 3.92275736 5.88513990 5.85662365 -0.09629317 0.27371905 0.17155528