108 Lattice="11.632377383123618 0.0 0.0 0.0 11.632377383123618 0.0 0.0 0.0 11.632377383123618" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.1423291423677 stress="337.836492853363 -122.4150541104491 123.71496764318883 -122.4150541104491 477.661599730674 -26.54373577217723 123.71496764318883 -26.54373577217723 422.0847736327461" pbc="F F F" Nb -0.02297489 -0.00620066 0.00862538 -0.22405461 0.78166574 0.55987125 Ti 1.96011106 1.92344053 0.00332749 1.87813938 -0.64306822 -1.06854872 Ti 1.94163885 0.00383955 1.93286338 1.35090977 -0.14360774 0.48746516 Al 0.01784001 1.93110135 1.89904453 -5.64820253 -4.74964684 -9.82964190 Ti 3.88601034 0.03154224 -0.01868005 -2.37312217 -0.96629329 -0.89050377 Nb 5.88247874 1.88254875 -0.00122112 0.88430439 -0.16514263 -1.16128131 Nb 5.78936054 0.03071683 1.95395465 2.89704558 -1.59481117 0.05510731 Ti 3.86997768 1.98098178 1.97392258 -1.71041330 0.84743029 1.74314013 Ti 7.72338941 -0.02593802 0.00119230 2.35956136 -0.94782398 -0.89305919 Al 9.69509675 1.97293793 -0.00389258 -0.40872684 -0.16468411 -0.13739272 Al 9.67471289 0.00842810 1.94458379 -0.70768635 0.20097505 0.47692997 Al 7.77728718 1.94761519 1.96372017 0.31818112 -0.32459225 0.51685740 Nb -0.02861256 3.89007789 0.01615672 9.84632486 9.06949188 18.44218656 Al 1.96878905 5.80925096 0.00512191 -1.17679915 0.77172634 -0.87322177 Al 1.93239996 3.87044138 1.88587203 -1.34722105 1.31727206 1.53540220 Al 0.01362837 5.79384464 1.90757115 6.78930823 15.11187939 -7.45649514 Ti 3.82739074 3.88728383 0.00079216 0.04915822 -0.21400611 -0.69351589 Al 5.78392088 5.83929108 0.03885534 0.16008084 -0.90032260 -1.88063129 Ti 5.81483830 3.84349731 1.96469009 -0.44053115 1.93689109 0.46172355 Ti 3.87256304 5.82810815 1.94802460 -0.08032719 -0.32821007 0.62200061 Ti 7.72448068 3.84552621 0.00385694 0.32573892 0.28214570 -0.04740167 Nb 9.65934049 5.85224254 0.01362053 2.28410110 -0.49935647 -2.29279677 Ti 9.71518493 3.86312917 1.89600490 0.92124735 -1.77705033 -0.55195774 Ti 7.73670751 5.81059319 1.93263977 -2.21402057 -0.34934071 -1.33253231 Nb 0.02692760 7.80394905 0.01388958 1.36350850 0.09266952 0.87629622 Nb 1.96779072 9.69077613 0.02350581 15.87677361 -39.66064111 53.72177788 Ti 1.95385165 7.75900191 2.00903003 1.52706006 -0.83171918 0.88458680 Al -0.01639055 9.68569434 2.00760734 0.06379389 -0.52267277 -0.26096331 Al 3.88813009 7.75632532 0.06105263 -1.16041827 0.68060979 -1.67173819 Al 5.76378630 9.71966526 -0.02278953 0.59842464 -0.40775690 0.55301366 Ti 5.74627706 7.72164639 1.90364143 -0.18541148 -0.90292611 0.40004672 Al 3.88051123 9.71791691 2.00399499 0.41545984 0.74886231 -0.70881997 Ti 7.76734004 7.70871394 -0.00084228 -2.00946963 -0.22076136 -1.20541659 Nb 9.70633000 9.66494588 0.03673464 -0.68650429 0.60511203 0.16301935 Ti 9.67956069 7.75136135 1.88485319 2.73588317 -0.15630521 0.32781882 Nb 7.72470099 9.67240919 1.96020386 -1.85508881 2.76070421 0.21119842 Al 0.01297526 -0.00327538 3.83505620 0.00160309 0.14889916 -0.01448051 Al 1.96596632 1.91921823 3.94525693 -0.12155733 0.91342091 -0.71869548 Ti 1.90363186 0.03722301 5.81868803 0.16788239 -0.58178966 0.53009958 Ti 0.01946167 1.90783798 5.86269903 -1.80382702 -1.58061353 -0.91592657 Ti 3.85538979 -0.03629261 3.90285119 -1.81688309 0.21207872 -0.25163359 Ti 5.80141450 1.95953225 3.88301447 -2.09182455 1.48026823 -0.00850671 Nb 5.76865985 0.03741859 5.79537036 18.18461419 34.10701768 18.25916819 Al 3.90345672 1.96642908 5.83840212 57.09865845 -29.78562898 -29.32807275 Nb 7.72872571 -0.03790042 3.86043327 -58.81932810 29.16664097 27.61657951 Ti 9.72512212 1.99359881 3.87906183 1.96538325 -1.62138552 -1.08325263 Ti 9.71926506 0.00502647 5.79718528 0.42594352 -0.51890161 0.00845048 Al 7.78540625 1.95148407 5.81658109 -0.46976321 0.41177691 0.09928174 Ti -0.00408268 3.85402168 3.86255909 -1.49662626 0.32558965 -0.33495523 Al 1.95893127 5.79062683 3.89003050 -8.59244437 -8.55899900 -16.92764536 Nb 1.91103280 3.86833889 5.79917919 12.31798417 -0.81285948 8.13705308 Ti 0.01325714 5.82984554 5.75635136 -2.59964157 0.95413738 0.16608081 Al 3.89634866 3.91554940 3.88779677 -1.04582606 -0.40406187 1.03753209 Ti 5.76765833 5.81895147 3.89623432 0.26965190 1.66176710 -1.18272254 Nb 5.74470490 3.91765260 5.81753426 14.81539295 11.94008962 31.56396982 Nb 3.87902574 5.84531918 5.78876811 -2.89886612 -0.35593784 0.36392117 Nb 7.72123690 3.83331979 3.87819623 0.45169833 -0.50886028 1.87477323 Nb 9.65146535 5.86082667 3.91438551 1.38483162 -0.20319832 1.09918357 Nb 9.70382459 3.91688957 5.83613610 -1.46663331 0.37633920 0.18945628 Ti 7.74951455 5.83840682 5.85213780 -2.81760874 1.05315842 2.51233593 Nb 0.02804942 7.74473414 3.86016236 -1.54623698 -0.23858223 -0.46162187 Ti 1.96987010 9.72042283 3.84560242 0.47174842 0.92607021 -0.91067333 Al 1.93303048 7.73712846 5.79514479 23.70955668 -46.20311364 22.96998848 Nb -0.01469479 9.69879143 5.76599513 -0.96811492 -0.92506233 -0.42574458 Al 3.90148416 7.71850075 3.88735957 -23.71969261 24.64574500 -45.24290836 Al 5.83897081 9.69790239 3.83304806 0.14091469 0.73841396 0.01363490 Ti 5.87180421 7.80741708 5.80816965 1.29783418 -1.92186112 -0.15696893 Nb 3.87691622 9.69485564 5.82950128 -0.01788546 -0.06075783 -2.44131504 Nb 7.75046345 7.76401450 3.91946511 0.59995109 1.66781579 0.41360049 Ti 9.70983143 9.66556584 3.88290630 2.26167790 1.09355241 0.64028183 Al 9.72169573 7.78378489 5.82504303 0.62204064 -0.55593949 0.88701691 Al 7.77231809 9.68196223 5.86390266 0.21854187 1.02905579 -0.08596198 Ti 0.01774098 0.02313269 7.75037768 -0.00998691 0.15766558 -0.40159201 Al 1.92243268 1.93041757 7.79460702 0.42420512 0.75282516 -0.05731107 Al 1.90769292 0.03674443 9.68487121 0.06875305 -0.02026315 0.07017901 Al -0.00690538 1.94285794 9.69042305 -0.01357864 0.67333148 -0.35654659 Al 3.84784833 0.01671261 7.78680664 -0.48480129 0.60575091 -1.33453657 Al 5.82864707 1.93554671 7.72667712 -0.24678999 1.31321587 0.42726361 Al 5.80526438 0.06376762 9.67314613 1.04509965 0.18695309 -0.16115612 Ti 3.89465379 1.89427012 9.68218331 -1.76221625 -0.16122705 0.80640481 Ti 7.78309565 0.03326085 7.74755223 -1.00155051 -1.91882047 -1.04679960 Nb 9.69897697 1.98165016 7.71843867 1.08451716 1.34581441 0.11553253 Nb 9.70631008 0.02662146 9.66386516 -0.17508061 1.33459051 0.03082270 Nb 7.72805161 1.93938637 9.69391676 -1.39323959 0.89146677 0.11003921 Nb -0.01865846 3.85289625 7.71798007 -0.77869401 -0.34474193 1.92541473 Nb 1.97116279 5.79418492 7.77267720 1.03084080 1.38764584 -0.47693779 Ti 1.94164943 3.88054297 9.70668756 0.44755523 -2.62829176 3.58521910 Nb 0.01351643 5.79486902 9.68869708 0.00263068 1.22984119 -0.99050082 Nb 3.88202194 3.85472703 7.71716768 -22.33602395 46.97531314 -26.99142985 Al 5.81598347 5.84438159 7.77476239 1.34324984 -2.07329992 0.25427984 Nb 5.79779730 3.88536081 9.68500243 1.57918957 0.84858522 -0.62906234 Nb 3.92209304 5.83201055 9.66889284 1.82514948 0.98651644 -1.12021348 Al 7.76776794 3.88597869 7.73429287 -18.52302257 -34.89523055 -17.50622216 Nb 9.72215699 5.87517464 7.80179715 0.61343380 2.01255117 -0.43923757 Ti 9.70880168 3.84180512 9.66963505 0.96586510 1.36975700 2.07278917 Al 7.77183728 5.84347766 9.65807241 -15.61767045 -14.96929109 -29.14397541 Al -0.00519623 7.71740909 7.81326692 -2.17686247 3.18711010 1.50331776 Ti 1.90999985 9.71280940 7.75862935 -0.38102192 0.68018196 0.92451849 Al 1.90057093 7.78998496 9.68340671 -0.23022762 -0.54330438 1.01996746 Nb 0.01213318 9.71417194 9.69070992 -0.08481727 -1.14857586 -0.40674039 Nb 3.90714399 7.73405294 7.75600552 -1.34886955 -4.11745910 -0.95017215 Ti 5.80234445 9.67814251 7.82723346 0.95899847 2.23485923 0.41233727 Al 5.87322382 7.80223263 9.70892687 0.58145309 -1.21096075 1.06795569 Ti 3.92094802 9.64073850 9.70391112 -0.68551417 1.02080099 0.37334567 Nb 7.71797084 7.76160261 7.76560051 2.92073560 0.30913933 2.67361269 Nb 9.66234839 9.67156850 7.74551393 -1.37333271 -2.10500011 0.44308407 Nb 9.70127082 7.77108953 9.68576466 -1.62013018 0.30965154 -2.31680452 Al 7.81246119 9.70000891 9.67641972 0.82159697 -0.42808144 -0.46069175