500 Lattice="20.014259120932763 0.0 0.0 0.0 20.014259120932763 0.0 0.0 0.0 20.014259120932763" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2001.5418999924316 stress="-0.004745316226071492 -0.0007212747072760798 -0.00010168661278329122 -0.0007212747072760798 -0.0043420583718046845 0.00041378707844580686 -0.00010168661278329122 0.00041378707844580686 -0.004849422187697778" pbc="F F F" Al 0.02535342 0.00207339 0.03561985 0.62607787 0.60772517 0.71505508 Ti 1.97405077 2.02521501 0.02930260 0.19442931 -0.02540997 -0.38578636 Ti 2.03572160 0.03287272 2.02827669 -0.41604486 -0.72260352 -0.41925805 Ti 0.02524026 2.03106613 2.02058240 -0.41813362 0.03853907 -0.02301115 Ti 3.96835189 0.00831171 0.03967539 -0.00003704 0.02213825 -0.16241823 Al 6.02038589 1.97221955 0.01908115 -0.23617741 0.33266805 -0.07532448 Ti 5.97040314 0.01528327 2.01188336 0.17861066 -0.54409423 -0.04288997 Ti 3.99890862 1.99684810 2.01282812 0.37945960 0.44777317 -0.20863286 Al 7.97353281 0.01868174 0.02434963 0.05968522 0.39407191 0.32339410 Al 10.03131856 2.02442085 0.02501772 -0.09718737 -0.03898086 0.22571669 Ti 9.97014791 0.01429033 2.00350057 0.28769014 -0.10964389 -0.19793924 Ti 7.98053672 2.02128317 2.01920339 0.17135631 0.06830747 -0.45845450 Al 12.02533460 0.01251243 0.01098726 -0.09710190 0.38739511 0.43983615 Ti 13.99326657 2.01270906 0.01067641 0.31124443 0.15172414 -0.20367025 Ti 13.97960799 0.00859954 2.00164167 0.23605391 -0.28463103 0.09968057 Al 12.03319813 2.00233032 2.06169057 -0.43844530 0.55003997 -0.36080150 Ti 16.03363565 0.00635632 0.03133545 -0.30079608 0.31011379 0.26963474 Al 18.03317762 1.96755224 0.00470205 -0.51434202 0.34077496 0.54065417 Ti 18.04437610 0.00489252 1.99820572 -0.22801108 0.34233326 0.11706825 Al 16.00297570 2.00002771 2.04197966 0.18187531 0.61634255 -0.14073190 Ti 0.03855168 4.03443188 0.01439756 -0.24278861 -0.25324539 0.06666588 Ti 1.97317535 5.96600741 0.03379087 0.10421947 0.53375497 -0.49634987 Ti 2.03874386 4.04143947 2.03460757 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2.01114245 0.25407166 -0.26718655 -0.15433168 Ti 16.05011287 13.99618348 1.98357388 -0.33323940 0.11204860 0.20093509 Al 0.02660782 16.02583067 0.00183491 0.36707381 -0.17682197 0.48828550 Ti 1.97626043 18.04829494 0.01554502 0.36971611 -0.49899817 0.30120354 Al 2.01830330 16.03094590 2.01830920 0.24931627 -0.65780158 -0.37291446 Ti 0.00701606 18.01276682 1.97805600 0.08815118 -0.13957090 0.00075238 Al 3.99767481 15.98519635 0.02511976 -0.27613549 0.32527259 0.29021586 Ti 6.02538565 18.04380971 0.02745030 -0.15422585 -0.38718384 0.18867588 Al 5.99473286 15.96671233 2.04021272 0.22870620 0.38024205 -0.23680720 Al 4.03854171 18.03090424 1.99824726 -0.24038663 -0.29579026 0.12447076 Al 7.99556941 16.03092054 0.01188549 -0.08456050 -0.21021930 -0.12094621 Al 10.01598311 17.98262392 0.00643614 -0.29354458 -0.33024189 0.09380273 Ti 9.98788783 15.98411267 1.97269748 -0.12519540 0.59478945 0.43244418 Ti 7.97562078 18.01243724 2.00812721 0.20359842 0.04653415 0.17961237 Ti 12.02746591 15.98223553 0.03012491 -0.11475936 0.23525628 -0.60397047 Al 13.97970099 17.98000044 0.00790170 0.40476816 -0.16326969 0.30514940 Al 14.04469201 15.97006298 1.96266767 -0.19992829 0.24802844 0.54809377 Ti 11.97912540 18.02915454 1.94472399 0.24098039 -0.00985587 0.48592144 Ti 16.02718818 16.04263805 0.03885920 0.10166448 -0.17336079 -0.44250796 Ti 18.04268767 18.02512405 0.03870275 -0.66220468 -0.47338253 0.53969859 Al 17.99482737 16.00327436 1.99967945 0.06185586 -0.16795279 0.49227860 Ti 16.00606423 18.04594205 2.01838293 0.16852193 0.01976037 0.05475211 Ti 0.05339603 0.00395558 3.96756686 -0.15828737 0.08008185 0.03908737 Al 2.03705675 1.98021411 3.97391122 -0.20571340 0.90115857 0.82919047 Al 1.96518487 0.01159675 6.03770991 0.68935341 -0.25671365 -0.31106685 Ti 0.03693194 2.00333424 6.01572449 -0.39752813 0.28817812 -0.22511218 Ti 3.96670229 0.03466259 3.99817883 0.33726850 -0.83807361 0.27634684 Ti 6.02798162 1.96891030 4.02434241 -0.39126027 0.49986151 -0.29742846 Al 6.02609270 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2.01099283 12.03350272 5.98343600 -0.05827380 -0.68327798 0.16072930 Ti 0.00764407 14.01478723 5.98569431 -0.37133795 0.19715790 -0.03553316 Al 3.98509560 11.99445667 4.02792869 0.25457241 0.50730022 -0.69594672 Al 5.98156291 13.99693071 3.93239598 0.19234972 -0.05771369 0.30345154 Al 5.97473379 12.02268761 5.98530301 0.23454788 0.43293526 -0.42521891 Al 3.97550995 13.99616154 6.00150021 0.62735928 0.16750194 -0.29745230 Ti 8.04286153 12.01294832 3.96464315 -0.45193581 0.15314704 0.33465244 Al 9.99786766 13.98395603 3.98248966 0.08099340 -0.30672920 -0.28270808 Al 9.98092948 12.00236526 6.03504604 0.43459300 0.69133019 -0.07429108 Al 7.96895031 13.96562703 6.03170405 -0.01431580 0.19893845 -0.22179730 Al 12.02987794 11.97276441 4.00266765 -0.54678292 0.67619197 -0.35317358 Ti 13.98974674 13.98864330 3.99044744 0.29098946 0.36216790 -0.32572518 Ti 14.04679406 12.06674150 5.97436522 -0.57713674 -0.29631843 0.53759759 Ti 11.98431823 14.04468768 5.99486732 0.06626437 -0.29816237 0.14321930 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