32 Lattice="7.823954112780122 0.0 0.0 0.0 7.823954112780122 0.0 0.0 0.0 7.823954112780122" Properties=species:S:1:pos:R:3:forces:R:3 energy=-106.75011152303834 stress="-0.0051994830129752125 -0.002815891365920824 0.005002276760103799 -0.002815891365920824 -0.006864256476912104 -0.00337914670685246 0.005002276760103799 -0.00337914670685246 -0.011031060442798" free_energy=-106.75011152303834 pbc="F F F" Ti 0.02251607 0.02205855 0.02344820 -0.07639605 -0.09423839 -0.07137457 Ti 1.93843883 1.93834802 0.01508233 0.20035768 0.48057423 -1.16025134 Ti 1.97133276 0.01080975 1.91689890 -0.22083794 -0.84815861 0.55712759 Al 0.00340733 1.97503232 1.94285115 -0.43785616 0.66187411 0.87144618 Ti 3.94549890 0.03068902 0.01091382 -0.48883354 -0.67280901 -0.35383540 Al 5.85234605 1.92500759 0.03700979 0.25250016 0.87594163 -0.15942488 Ti 5.85059204 0.03131399 1.98941903 0.47488963 -0.43783566 0.25406122 Al 3.87918247 1.96701007 1.95376332 -0.06863068 0.48923925 0.86972854 Al 0.00722092 3.93443012 0.01693933 0.19644239 -0.60536058 -0.13297873 Al 1.93733937 5.89303572 0.00486529 0.44085592 -0.23326310 -0.21466077 Al 1.95096501 3.89749546 1.93964955 -0.19443169 -0.28817252 0.81263182 Ti 0.01347484 5.86138376 1.92316573 -0.34180212 0.34611762 0.57260970 Ti 3.89625097 3.91581073 0.03370023 -0.24065383 -0.11250023 -1.12417218 Ti 5.83783894 5.83902542 0.05739754 -0.02549675 0.19623268 -0.16167809 Ti 5.86625531 3.93683250 1.93450126 0.62546869 -0.40905803 0.69264009 Ti 3.87406820 5.90489326 1.96251352 0.01805209 0.61127825 0.52918688 Al 0.03213228 0.02708625 3.93371033 -0.21252012 -0.18783304 -1.04306306 Al 1.92683714 1.99173041 3.88679896 0.44142679 -0.13863475 -0.74603380 Ti 1.92873917 0.00291137 5.85695148 0.71817290 -0.13336879 0.33426262 Ti 0.02679345 1.92871845 5.86437209 -0.33665444 0.64398368 0.43855641 Al 3.89568870 0.00873450 3.87564322 -0.23273129 0.14979664 0.36667815 Ti 5.89446807 1.98494087 3.91763635 0.32275184 -0.27989588 -0.31212949 Al 5.89149075 0.00118299 5.89344681 -0.47630445 0.40172721 -0.54313960 Al 3.89909417 1.99204972 5.88238163 0.07041395 -0.61315804 0.24018628 Al 0.03229777 3.94274900 3.91475628 -0.13163387 -0.55279039 -0.46676248 Al 1.93541663 5.88252762 3.93093628 0.48395354 0.24171106 -0.33659848 Ti 1.97967070 3.87908650 5.89460058 -0.24499235 0.71819576 0.68304627 Ti 0.00540958 5.90572547 5.83193816 0.19612083 -0.30465451 0.23267441 Ti 3.88283131 3.90146533 3.92094694 0.27632583 0.45335490 -0.05335722 Al 5.88159685 5.84521482 3.94399349 -0.21033304 -0.23884437 -0.39655412 Al 5.87940854 3.84456891 5.85634953 -0.28454420 0.24014656 0.15554088 Al 3.93520990 5.88984809 5.88154560 -0.49307970 -0.35959769 -0.33436286