108 Lattice="11.632376273795984 0.0 0.0 0.0 11.632376273795984 0.0 0.0 0.0 11.632376273795984" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.6732178210132 stress="7.461670215012147 69.51308918873434 -64.88646258136012 69.51308918873434 201.97139983456182 -43.587415255763446 -64.88646258136012 -43.587415255763446 -7.9089723803579375" pbc="F F F" Ti -0.02200079 -0.01052764 0.04093484 1.07231094 0.34820193 0.15449405 Ti 1.97122036 1.92882609 -0.03496089 -1.35695673 -1.13115386 -0.06214100 Ti 1.93936150 -0.02492288 1.93356752 -0.00652080 0.37424135 -0.31026035 Al -0.02555725 1.91968049 1.92172871 -0.55277092 0.48556544 -0.04638301 Ti 3.88208029 -0.00007689 -0.00104169 0.28707607 0.72883444 0.33699681 Ti 5.83813596 1.92693115 -0.00441443 -0.78165797 -0.61617384 -2.19442410 Al 5.79921419 -0.02185127 1.98419503 0.59675256 -0.51888746 -0.36829159 Ti 3.88871583 1.94164129 1.97742092 -1.00691167 -2.25209507 0.47471683 Nb 7.77506481 -0.00541263 0.01375862 -1.29077422 -1.15025100 0.23342550 Ti 9.66087602 1.93875353 0.05555764 1.40322984 0.89056524 -0.76195704 Ti 9.68724804 -0.02691223 1.96910410 2.05664312 -0.61601726 0.77092497 Nb 7.77027153 1.91916633 1.99422627 -2.98865787 1.96696674 1.50365700 Al -0.02652132 3.87236860 -0.01903818 0.71553731 0.39155264 0.55153684 Ti 1.96380370 5.83731418 0.02910079 0.38066103 1.34063410 -0.88577794 Al 1.92437151 3.82052487 1.95996662 1.47883653 -0.43475918 -2.99881550 Nb -0.01168510 5.82744603 1.97614976 -0.63565170 -2.23578016 -0.16059116 Nb 3.83320728 3.87277322 0.03689294 -0.48270523 -0.20181594 -1.52251056 Ti 5.84558284 5.82565008 0.00426439 0.27216632 1.40525631 -3.13906238 Nb 5.85823153 3.91812976 1.97826070 2.45585545 -2.29452945 1.57446328 Ti 3.91206155 5.85775247 1.90907980 -2.00091214 0.20781096 1.63126678 Al 7.73063137 3.91248936 -0.01324861 0.27285440 -0.29504142 -0.27424064 Nb 9.70673454 5.76411073 -0.00197823 0.57373337 -0.72992958 0.74382519 Al 9.69384768 3.86777503 1.90554432 0.43682306 0.95548405 0.37299144 Nb 7.81014671 5.77181600 1.96800929 1.62507309 -2.45024503 -0.28364179 Ti 0.05980139 7.73843052 0.00636313 -1.04371639 -1.17711324 -1.84375133 Nb 1.87876459 9.63466826 -0.01333594 0.47423963 0.36623819 0.70584307 Al 1.97421420 7.76851674 1.90605300 -0.02712041 0.33895540 0.77034100 Nb 0.02000215 9.64631303 1.94665210 1.09100510 1.26118898 -0.33640416 Al 3.93307683 7.78472543 0.01246247 -0.16833873 0.38511343 -1.26768523 Nb 5.76416978 9.70404374 0.02970055 0.15471710 0.03553768 -0.42675872 Nb 5.82499653 7.75946493 1.88857315 6.24211766 5.83426686 -8.80454693 Ti 3.86902564 9.68700566 1.95884126 -0.10361480 3.43072500 0.48299957 Ti 7.78050347 7.69506356 0.04870626 -1.10243125 -1.09752992 -5.17640917 Nb 9.69744299 9.71314887 0.03225502 -0.65811862 -0.57118759 1.84285392 Nb 9.71478988 7.73544661 1.91098642 0.22958336 1.22605672 0.54898824 Nb 7.80915883 9.67481759 1.93931107 1.49307216 -0.08196379 0.28671022 Al -0.02899964 0.06635910 3.88406981 0.28890017 -0.19088509 0.40616427 Ti 1.93465834 1.90027101 3.89116824 -1.06976842 2.29716585 -2.07317404 Nb 1.95661899 0.00884242 5.81131392 -0.07335901 -0.00500758 1.61953066 Al -0.02948266 1.92362296 5.86335379 0.08153407 -0.25523139 0.32236882 Al 3.84219583 -0.02712127 3.86749920 -2.87493988 2.30960801 7.31288832 Al 5.74396112 1.93380155 3.83496004 0.99075541 0.17336144 1.00497814 Al 5.83286365 -0.01354235 5.86047435 -0.60214855 0.02654887 0.06728385 Nb 3.89185912 1.95300195 5.81387068 -2.10646520 1.44829572 -2.14417989 Al 7.74433979 -0.00666290 3.86789051 -0.68663924 -0.42768773 -0.36863158 Ti 9.70838226 1.92747199 3.85252896 2.20715339 -0.64596318 0.96851416 Ti 9.63791807 0.01296805 5.78547628 -0.26255241 1.12364190 0.03000746 Ti 7.70878827 1.95957831 5.82591512 1.52627097 -2.16176385 0.96017555 Ti -0.00296410 3.83339248 3.87773835 0.20750114 -2.05106170 1.03936689 Al 1.96154335 5.85035119 3.87891521 1.31934005 -2.73849423 -1.33703016 Al 1.92693718 3.94605816 5.81335429 0.38293699 -0.62377780 0.16381773 Nb 0.01372123 5.78754458 5.83599177 -1.40906916 1.38240171 3.54470437 Al 3.91824423 3.88069542 3.89292859 -0.06796197 0.24992251 0.07100587 Ti 5.86014536 5.84275754 3.88966645 -1.50173979 0.63086451 0.25834507 Nb 5.82373993 3.92768153 5.85530777 -2.76294250 -0.80539944 -0.86048591 Al 3.89420156 5.83901410 5.78212649 -32.38663374 -60.19432767 36.95505592 Nb 7.79671969 3.88444892 3.85644961 -2.66463551 -2.74416569 -4.32557349 Ti 9.66864408 5.86334339 3.90269426 1.89989269 -0.18025623 1.90651144 Ti 9.70211910 3.92400139 5.81391484 0.75178191 -0.13883507 1.08808582 Ti 7.75333760 5.81457231 5.75150140 1.86188133 0.55052804 0.25655007 Ti 0.04492472 7.77042224 3.84634799 -3.37899763 -0.80836670 -1.20284453 Nb 1.95345446 9.68525333 3.92210821 -0.21105912 0.53485225 0.73737291 Nb 1.91902831 7.74150518 5.85392814 1.01857769 -1.03128916 -3.00231410 Nb -0.02617027 9.70706452 5.80714428 -1.08570155 2.36827040 1.36703147 Nb 3.84111406 7.80587269 3.82157670 -2.58267097 -1.62610975 2.62463712 Ti 5.81358440 9.66669213 3.91265904 0.95505124 3.53461003 0.40601544 Nb 5.81821707 7.73182167 5.79884161 0.70584893 0.24093827 1.09068284 Al 3.87771277 9.66485494 5.82241104 -0.29628909 0.86769713 0.02625432 Al 7.75580395 7.72045923 3.87524087 -0.05608466 1.36430563 -0.48998070 Al 9.66267245 9.72358519 3.85247356 -1.57372853 -1.04063342 -0.23171879 Al 9.69412704 7.72138496 5.80263336 0.56513601 1.24162905 0.39936065 Al 7.77294496 9.70463597 5.85780989 0.25916799 0.38082051 0.48738836 Nb -0.00674599 -0.00448585 7.78643597 2.33415866 1.62726245 -0.10022287 Nb 1.96451958 1.96835297 7.74637323 27.24234521 51.16199847 -35.39329213 Nb 1.91298010 0.00161580 9.63919589 -1.38699095 0.35995408 -1.65216255 Al -0.01553150 1.97346168 9.70941774 1.06205502 -0.36084101 -0.55492201 Al 3.86844089 -0.03514957 7.72090646 -10.28001141 19.32393436 10.05778982 Al 5.82656133 1.93981247 7.79360278 -0.23392483 -0.56605312 -0.01628281 Nb 5.80080351 -0.01071026 9.66971221 2.27851562 1.02804919 -1.63879413 Ti 3.85105513 1.91254732 9.70004266 1.90658985 0.41633771 1.14735332 Al 7.76384601 0.02135639 7.77030751 2.51972282 -2.98830823 2.54491697 Ti 9.65253702 1.87817248 7.75063346 1.39382601 1.95488649 -2.41748311 Nb 9.63294290 0.00377311 9.66712939 -1.93986908 1.11274778 -0.20003059 Nb 7.79242236 1.90451841 9.71121415 -0.74554767 -0.87479118 1.27368874 Al -0.03146308 3.84577081 7.75710109 -0.12032057 -0.28906481 -0.28884611 Ti 1.95772808 5.88329380 7.71607732 2.47625837 -0.27271378 1.34487908 Nb 1.95585744 3.84460721 9.68521113 7.91871266 -21.45755707 -8.12558915 Ti 0.05500277 5.75677364 9.65848536 -0.58593805 1.20331728 -0.37576756 Ti 3.90876526 3.89946608 7.73818335 -0.03659225 1.98612992 0.90431556 Al 5.83917825 5.79276189 7.77097253 0.16091054 0.38303068 -0.35599036 Al 5.79691690 3.87875214 9.63227446 -2.08691305 -5.73170960 3.74001993 Ti 3.87657699 5.80578457 9.70922163 1.18490355 1.48462056 -1.32593426 Ti 7.78114318 3.87030019 7.77144792 1.16160566 0.28442211 -0.45238136 Ti 9.69837822 5.82675213 7.74984247 0.18323106 -1.16303177 -0.65301667 Al 9.68779634 3.94355082 9.66063124 0.05574782 -1.16394097 0.18771026 Al 7.77904592 5.80030471 9.69159911 -0.05225756 0.21702611 0.79041818 Al 0.03388415 7.73188035 7.70006565 -1.45979540 0.42450224 -0.18769653 Ti 1.92797078 9.66428079 7.72210371 0.35210402 1.40157706 1.27357644 Al 1.92064080 7.75107497 9.72691696 0.37960558 0.37094199 0.54387199 Al 0.00411483 9.69380541 9.72372836 0.83992177 -0.30121011 -0.84575402 Ti 3.90433354 7.70709078 7.72013095 -1.77645939 -1.68383080 2.21141302 Nb 5.85687159 9.68804788 7.69711905 1.32982073 1.23508267 -0.49158438 Ti 5.84977167 7.73067809 9.70502834 -1.67592197 -2.30317804 2.51506625 Nb 3.81735831 9.71912624 9.71392058 -0.14425784 0.73630300 1.00572665 Nb 7.72426132 7.78669786 7.74598857 3.19178651 6.76013189 -3.31440979 Nb 9.70912195 9.67907933 7.71976043 -2.23152941 -1.71302187 0.15234890 Al 9.72400671 7.71224863 9.69471346 -0.69811325 0.86205257 -0.61560305 Nb 7.78690938 9.66763542 9.67833515 1.00884950 -0.63998411 -1.88787808