108 Lattice="12.116801221231125 0.0 0.0 0.0 12.116801221231125 0.0 0.0 0.0 12.116801221231125" Properties=species:S:1:pos:R:3:forces:R:3 energy=-698.037413210632 stress="-6.344739608862648 0.7948088487272909 1.2892955736782312 0.7948088487272909 -6.0756764767813465 1.5632923904358371 1.2892955736782312 1.5632923904358371 -5.084335255085469" pbc="F F F" Nb -0.00451693 0.02706688 -0.02330995 1.09696844 0.95321726 1.20675417 Nb 2.03735486 1.99125149 0.01580637 -0.51504826 0.22001471 -0.39924245 Nb 2.03363220 0.00769680 2.05365870 -0.36187090 -0.36520467 -0.39550355 Nb -0.03107016 2.01186735 2.04311364 -0.31595578 0.01877781 -0.20858508 Nb 4.01278149 0.03480220 -0.00085063 0.31090979 0.15068055 0.47994864 Nb 6.08688644 1.98417299 -0.03580905 -0.21783326 0.26320775 -0.35634602 Nb 6.09731230 -0.00394359 2.01331035 -0.09166776 -0.52110784 -0.20214623 Nb 4.05315905 2.05769459 2.04436097 0.10874577 -0.43625020 -0.57015543 Nb 8.08155577 0.02027173 -0.03275839 0.16396124 0.45269603 0.61060873 Nb 10.11433075 2.00766084 -0.00630369 -0.70069857 0.25417494 0.57260380 Nb 10.11702849 0.01180593 1.98999847 -0.78910609 0.55306447 0.26377895 Nb 8.08660675 2.02727886 2.05869609 0.22153029 -0.18668683 -0.36653297 Nb -0.00623295 4.06123276 0.02189970 0.13608010 -0.32341156 0.01477381 Nb 2.00361037 6.03441273 -0.03220161 0.12767288 0.10675466 -0.49668795 Nb 1.96731483 4.04769610 1.98118515 0.17868966 -0.23997986 0.09281644 Nb 0.01488820 6.02116867 2.03972607 -0.87221939 0.32117044 -0.12132940 Nb 4.02403142 4.05225389 0.00641163 0.05770039 -0.21642993 -0.67974040 Nb 6.02875673 6.04114741 -0.03685784 0.10316480 0.02259923 -0.68974149 Nb 6.03737181 4.08889083 2.00462227 0.37306791 -0.34722938 -0.16996302 Nb 4.07890391 6.04719688 2.02692145 -0.33694800 0.11953169 -0.16309285 Nb 8.06914925 4.05555319 -0.02444576 0.15532135 -0.09243238 -0.39402866 Nb 10.13480327 6.03927826 0.01282429 -0.48047985 0.08374734 0.00885671 Nb 10.09711215 4.07521528 1.98943311 0.50917217 -0.31049969 0.06399392 Nb 8.07969656 6.10017899 2.04634652 0.11390589 -0.19383100 -0.42874068 Nb 0.01272857 8.03491679 0.00105203 0.68522614 0.38020950 0.79032994 Nb 2.03835695 10.12970419 0.01490953 -0.14387189 -0.82866435 0.59655651 Nb 2.01326424 8.05757960 2.02348227 -0.19073366 0.40260719 -0.41278288 Nb 0.02826552 10.10295634 2.06070488 0.65316997 -0.61112114 -0.27079103 Nb 4.04829823 8.06204388 -0.00319201 -0.11624680 0.16902672 -0.57876142 Nb 6.02347991 10.12917708 -0.03052802 0.18836164 -0.61454265 0.63424815 Nb 6.01431973 8.06812426 2.03307115 0.21091971 0.25598168 -0.43722273 Nb 4.04861962 10.07312942 2.01169530 -0.12879928 0.65470216 -0.07626103 Nb 8.04031498 8.04682760 -0.00462079 0.31651460 0.42610881 -0.35247639 Nb 10.07933309 10.12258502 0.02559892 -1.17920076 -1.11493144 1.00578872 Nb 10.11894740 8.04820731 1.96182206 0.43341004 0.42589273 0.18293977 Nb 8.04795667 10.06382654 2.05820182 0.32999349 0.45997323 -0.64438022 Nb -0.00655789 -0.00717047 4.01293308 0.35663536 0.28545790 0.16202942 Nb 2.00388623 2.05406302 4.07433377 -0.18484455 -0.23253698 -0.08887023 Nb 2.00203201 -0.00354222 6.07436881 0.28493641 -0.76492005 -0.48560361 Nb 0.03212511 1.97966346 6.07267351 -0.84303870 0.17043426 -0.24829742 Nb 4.07243700 0.03487868 4.01387397 -0.34721737 -0.98908372 0.12462681 Nb 6.02135219 1.98859201 4.06145812 0.50779731 0.39362644 -0.17957306 Nb 6.08671528 -0.00792694 6.02744035 -0.33481333 -0.76689890 0.20378036 Nb 4.04903119 2.05567770 6.02917182 -0.27447877 -0.21934023 0.14514328 Nb 8.05931756 0.00677300 4.06507909 0.39120185 -0.54583418 -0.36676533 Nb 10.11418285 2.01855285 4.05265212 0.54156277 0.09245571 -0.18853365 Nb 10.07363341 0.02572715 6.03612632 -0.26162714 0.26464638 0.19134191 Nb 8.07382481 2.07698633 6.05668850 0.18113671 -0.23891488 -0.13947629 Nb -0.01624613 4.09427102 4.10412918 -0.61514771 -0.23787122 -0.11074162 Nb 2.02590145 6.08819172 4.00671284 -0.09233215 -0.09366345 0.15155910 Nb 2.04602378 4.09442244 6.05412681 -0.25526079 -0.09080487 0.07013499 Nb -0.01710857 6.10899731 6.06656473 -0.77565163 -0.04234970 0.04952274 Nb 4.02216996 4.01847557 3.98105301 -0.00515256 0.28803316 0.28213899 Nb 6.08448342 6.08167384 4.03919698 0.04816725 -0.15056743 0.11368251 Nb 6.03360180 4.01636509 6.09552066 0.21121294 0.17846345 -0.10401352 Nb 4.04716742 6.04498521 6.04335826 0.11748856 0.13975962 -0.11792263 Nb 8.12741246 4.07762197 4.04523947 -0.29441990 -0.37633982 -0.06401525 Nb 10.08734595 6.02630617 4.08588324 1.12342726 0.38169782 -0.34493985 Nb 10.07792146 4.07266786 6.10592738 1.04493521 -0.29808600 -0.16033853 Nb 8.11139361 6.07101160 6.05633917 -0.38935038 -0.10333860 0.13229958 Nb -0.01305683 8.07232318 4.00304822 -0.51360633 0.20034875 0.26086348 Nb 2.05983529 10.09215535 4.09094899 -0.39434170 0.40884933 -0.12318446 Nb 1.99808306 8.04259851 6.09105448 -0.10854456 0.39797574 -0.05632595 Nb -0.03320642 10.11360216 6.08258831 0.63913830 -0.69361727 -0.12581996 Nb 4.06497746 8.04558935 4.03627480 -0.25640795 0.20340695 0.04976878 Nb 6.05365803 10.10424111 4.01043468 -0.19581378 0.70820037 0.22837856 Nb 6.03726605 8.08654936 6.01232763 0.18039940 0.19232767 0.19743059 Nb 4.03099633 10.11292081 6.06378286 0.12315423 0.63281018 0.04063242 Nb 8.10872050 8.07084328 4.01897063 0.29571706 0.26391571 0.16139201 Nb 10.13096783 10.13377515 3.99875990 -0.59036659 -0.86871405 0.13264739 Nb 10.06039326 8.05270443 6.09489552 0.79039660 0.62792236 -0.21424609 Nb 8.06146179 10.09010658 6.01437755 0.43035606 0.41427828 0.24702357 Nb 0.02571124 -0.02309924 8.03919889 0.15117528 0.24000474 0.28974316 Nb 1.98358923 1.98304141 8.07920285 0.27003480 0.28500562 0.10561283 Nb 2.01788811 0.01689372 10.08397389 0.21881895 0.29788918 -0.39746238 Nb 0.01530165 1.98788893 10.06858107 0.28340101 0.26013437 -0.38714395 Nb 4.00746338 0.00971803 8.04594569 0.23837322 -0.47689338 0.26992529 Nb 6.07450068 1.96916552 8.06460375 -0.44386517 0.20779406 0.14448911 Nb 6.06060683 0.03307548 10.08639094 -0.13064646 0.29462606 -0.29622506 Nb 4.01166555 2.06003372 10.12866535 0.38037370 -0.37431481 0.26576667 Nb 8.04588895 0.02796481 8.02933442 0.61151998 -0.68907530 0.36889874 Nb 10.12809318 2.02458940 8.10084269 0.54735892 -0.56232703 -0.30280047 Nb 10.07546548 0.00107597 10.08022507 -0.99363320 0.89456211 -0.95796831 Nb 8.08778722 2.03919989 10.06320636 0.04404893 -0.52321149 0.70601559 Nb -0.02545601 4.00583954 8.04608146 -0.31834027 0.21382490 0.35660109 Nb 2.01059844 6.05168346 8.10292287 -0.44108972 0.01340543 0.25752613 Nb 2.04996760 4.01261553 10.13543561 -0.64439217 0.29114663 0.29980333 Nb -0.02480161 6.02811727 10.13483413 0.65659751 -0.07333036 -0.65642371 Nb 4.05348827 4.11225244 8.05705680 -0.09539234 -0.38281367 0.44385086 Nb 6.09802288 6.11047030 8.07841606 0.01063049 -0.12431634 0.06141478 Nb 6.10906240 4.04099985 10.09921405 -0.24250402 0.07094900 0.49051708 Nb 4.01072700 6.06538801 10.07776729 0.24268777 -0.15371670 0.84937452 Nb 8.13369489 4.00223073 8.08998001 -0.43588684 0.40057412 0.04922325 Nb 10.13056570 6.03873167 8.10863347 0.53407175 0.18759230 0.08984841 Nb 10.10079255 3.99461148 10.04928368 -0.03579070 0.44172680 0.33405969 Nb 8.08319043 6.08651572 10.12691364 0.09671051 -0.26341135 0.55759316 Nb -0.01580406 8.07793627 8.10234656 -0.37961069 0.17814259 0.30855802 Nb 2.03723569 10.06834334 8.08505219 -0.24984374 0.40064852 0.18019584 Nb 2.03556744 8.06244040 10.13641114 -0.44450656 0.27694447 0.32753984 Nb -0.00384559 10.10528463 10.09878571 1.07363208 -1.02951696 -0.98842856 Nb 4.04790750 8.05711579 8.07030911 -0.05161549 0.18630389 0.13965789 Nb 6.02084011 10.08434191 8.05457639 0.34463925 0.45938303 0.34851485 Nb 6.04139987 8.06968767 10.09701296 0.11658115 0.17431725 0.65790003 Nb 4.06212321 10.08047976 10.12403317 -0.12005576 -0.35562302 -0.43412231 Nb 8.10261558 8.05358765 8.11641492 0.19460062 0.59120927 0.11831196 Nb 10.13675261 10.08320484 8.10915559 -0.82867509 -0.67300414 -0.19743921 Nb 10.11048576 8.04151131 10.12907631 -0.42179400 0.15371366 -0.57346994 Nb 8.11691388 10.08021979 10.11861556 -0.30666713 -0.66188814 -0.76467372