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=612.393473811033 stress="-8.10738261285129 0.38364525303686814 -0.3677996865202001 0.38364525303686814 -9.31964372504911 1.4650138746163381 -0.3677996865202001 1.4650138746163381 -11.037794813576655" free_energy=612.393473811033 pbc="F F F" Al 0.19883905 0.43558050 0.00047313 -64.01032429 -7.69645231 -73.98672368 Al 1.27516603 1.20330445 0.24217457 -119.61194703 421.58402307 -430.03450016 Ti 1.54270730 0.13480683 1.23324064 117.57811440 -415.50947405 440.09730701 Ti 0.12324216 1.74667518 1.61478237 -113.15405822 -116.80584133 -9.18525163 Ti 2.71621014 0.01898074 0.33331146 57.87603812 -97.34514094 -52.70153746 Ti 4.36360749 1.54412980 0.25526760 62.02607680 28.92253694 -63.43221798 Ti 4.54082142 0.28511378 1.28384319 50.72224307 -62.60788103 10.14637584 Ti 3.35410628 1.08611533 0.94112944 -51.05545979 41.26101444 47.11106653 Al 0.00239915 2.81442214 0.23520322 -50.11243400 65.47942417 -134.20240167 Al 1.89575991 4.59176916 0.06487656 -8.81164952 82.12538615 -55.24126582 Ti 1.51477119 3.29553441 1.34125301 69.53779286 -135.67116170 32.27942466 Al 0.00601457 4.20763472 1.21112725 -102.42973794 67.27532056 -6.96511490 Ti 3.08712770 2.98006896 0.12771106 -21.96753499 -54.92193462 -44.63090530 Ti 4.34994689 4.06716042 0.02805905 38.23864753 41.58025736 -51.16078013 Ti 4.28502229 3.14120549 1.21145078 72.42677712 -57.39007380 42.03814347 Al 2.97717101 4.41378331 1.60609976 -58.84165306 107.63144794 7.00282567 Ti 0.04263272 0.18292312 2.73549726 -19.46235672 -28.66973908 -5.93615316 Al 1.24043896 1.95262592 3.01635763 59.13285603 -13.49330196 52.34986741 Al 1.39532733 0.03454050 4.64633673 1.91475551 -9.74420284 6.70054626 Al 0.46370541 1.15502274 4.75082895 -8.22200395 0.41320706 11.77558119 Al 2.83355923 0.28947798 3.14711117 -26.52119015 -58.44346021 -57.90233647 Al 4.35017392 1.44585166 2.98875890 47.16912438 26.49364377 -44.80338625 Ti 4.47396221 0.09867869 4.57833876 19.95609811 -25.50419145 27.99104015 Ti 3.20408111 1.51855009 4.45887194 -40.65676175 -85.73427072 181.68274544 Al 0.31101450 2.70677130 3.07736569 -17.35198735 16.01243997 54.87397562 Al 1.68512270 4.42369026 3.03979554 37.78760220 46.42377342 -35.51661847 Ti 1.77354104 3.03273964 4.57675992 -183.87539509 -51.45177766 292.99999766 Ti 0.29497883 4.12100947 4.31113270 -58.09551551 50.76480424 81.54679189 Al 2.73333983 2.75498499 3.29119256 115.26250327 35.19791869 -267.80147309 Ti 4.30691229 4.60075355 2.88191578 84.74004253 17.67371786 30.45223481 Al 4.24841186 2.99214527 4.75502222 54.78433490 66.78760400 19.00284908 Al 2.76680101 4.40920482 4.17120718 55.02700253 105.36238405 -4.55010653