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:Z:I:1:forces:R:3 energy=-698.037413210632 pbc="F F F" Nb -0.00451693 0.02706688 -0.02330995 41 1.09696844 0.95321726 1.20675417 Nb 2.03735486 1.99125149 0.01580637 41 -0.51504826 0.22001471 -0.39924245 Nb 2.03363220 0.00769680 2.05365870 41 -0.36187090 -0.36520467 -0.39550355 Nb -0.03107016 2.01186735 2.04311364 41 -0.31595578 0.01877781 -0.20858508 Nb 4.01278149 0.03480220 -0.00085063 41 0.31090979 0.15068055 0.47994864 Nb 6.08688644 1.98417299 -0.03580905 41 -0.21783326 0.26320775 -0.35634602 Nb 6.09731230 -0.00394359 2.01331035 41 -0.09166776 -0.52110784 -0.20214623 Nb 4.05315905 2.05769459 2.04436097 41 0.10874577 -0.43625020 -0.57015543 Nb 8.08155577 0.02027173 -0.03275839 41 0.16396124 0.45269603 0.61060873 Nb 10.11433075 2.00766084 -0.00630369 41 -0.70069857 0.25417494 0.57260380 Nb 10.11702849 0.01180593 1.98999847 41 -0.78910609 0.55306447 0.26377895 Nb 8.08660675 2.02727886 2.05869609 41 0.22153029 -0.18668683 -0.36653297 Nb -0.00623295 4.06123276 0.02189970 41 0.13608010 -0.32341156 0.01477381 Nb 2.00361037 6.03441273 -0.03220161 41 0.12767288 0.10675466 -0.49668795 Nb 1.96731483 4.04769610 1.98118515 41 0.17868966 -0.23997986 0.09281644 Nb 0.01488820 6.02116867 2.03972607 41 -0.87221939 0.32117044 -0.12132940 Nb 4.02403142 4.05225389 0.00641163 41 0.05770039 -0.21642993 -0.67974040 Nb 6.02875673 6.04114741 -0.03685784 41 0.10316480 0.02259923 -0.68974149 Nb 6.03737181 4.08889083 2.00462227 41 0.37306791 -0.34722938 -0.16996302 Nb 4.07890391 6.04719688 2.02692145 41 -0.33694800 0.11953169 -0.16309285 Nb 8.06914925 4.05555319 -0.02444576 41 0.15532135 -0.09243238 -0.39402866 Nb 10.13480327 6.03927826 0.01282429 41 -0.48047985 0.08374734 0.00885671 Nb 10.09711215 4.07521528 1.98943311 41 0.50917217 -0.31049969 0.06399392 Nb 8.07969656 6.10017899 2.04634652 41 0.11390589 -0.19383100 -0.42874068 Nb 0.01272857 8.03491679 0.00105203 41 0.68522614 0.38020950 0.79032994 Nb 2.03835695 10.12970419 0.01490953 41 -0.14387189 -0.82866435 0.59655651 Nb 2.01326424 8.05757960 2.02348227 41 -0.19073366 0.40260719 -0.41278288 Nb 0.02826552 10.10295634 2.06070488 41 0.65316997 -0.61112114 -0.27079103 Nb 4.04829823 8.06204388 -0.00319201 41 -0.11624680 0.16902672 -0.57876142 Nb 6.02347991 10.12917708 -0.03052802 41 0.18836164 -0.61454265 0.63424815 Nb 6.01431973 8.06812426 2.03307115 41 0.21091971 0.25598168 -0.43722273 Nb 4.04861962 10.07312942 2.01169530 41 -0.12879928 0.65470216 -0.07626103 Nb 8.04031498 8.04682760 -0.00462079 41 0.31651460 0.42610881 -0.35247639 Nb 10.07933309 10.12258502 0.02559892 41 -1.17920076 -1.11493144 1.00578872 Nb 10.11894740 8.04820731 1.96182206 41 0.43341004 0.42589273 0.18293977 Nb 8.04795667 10.06382654 2.05820182 41 0.32999349 0.45997323 -0.64438022 Nb -0.00655789 -0.00717047 4.01293308 41 0.35663536 0.28545790 0.16202942 Nb 2.00388623 2.05406302 4.07433377 41 -0.18484455 -0.23253698 -0.08887023 Nb 2.00203201 -0.00354222 6.07436881 41 0.28493641 -0.76492005 -0.48560361 Nb 0.03212511 1.97966346 6.07267351 41 -0.84303870 0.17043426 -0.24829742 Nb 4.07243700 0.03487868 4.01387397 41 -0.34721737 -0.98908372 0.12462681 Nb 6.02135219 1.98859201 4.06145812 41 0.50779731 0.39362644 -0.17957306 Nb 6.08671528 -0.00792694 6.02744035 41 -0.33481333 -0.76689890 0.20378036 Nb 4.04903119 2.05567770 6.02917182 41 -0.27447877 -0.21934023 0.14514328 Nb 8.05931756 0.00677300 4.06507909 41 0.39120185 -0.54583418 -0.36676533 Nb 10.11418285 2.01855285 4.05265212 41 0.54156277 0.09245571 -0.18853365 Nb 10.07363341 0.02572715 6.03612632 41 -0.26162714 0.26464638 0.19134191 Nb 8.07382481 2.07698633 6.05668850 41 0.18113671 -0.23891488 -0.13947629 Nb -0.01624613 4.09427102 4.10412918 41 -0.61514771 -0.23787122 -0.11074162 Nb 2.02590145 6.08819172 4.00671284 41 -0.09233215 -0.09366345 0.15155910 Nb 2.04602378 4.09442244 6.05412681 41 -0.25526079 -0.09080487 0.07013499 Nb -0.01710857 6.10899731 6.06656473 41 -0.77565163 -0.04234970 0.04952274 Nb 4.02216996 4.01847557 3.98105301 41 -0.00515256 0.28803316 0.28213899 Nb 6.08448342 6.08167384 4.03919698 41 0.04816725 -0.15056743 0.11368251 Nb 6.03360180 4.01636509 6.09552066 41 0.21121294 0.17846345 -0.10401352 Nb 4.04716742 6.04498521 6.04335826 41 0.11748856 0.13975962 -0.11792263 Nb 8.12741246 4.07762197 4.04523947 41 -0.29441990 -0.37633982 -0.06401525 Nb 10.08734595 6.02630617 4.08588324 41 1.12342726 0.38169782 -0.34493985 Nb 10.07792146 4.07266786 6.10592738 41 1.04493521 -0.29808600 -0.16033853 Nb 8.11139361 6.07101160 6.05633917 41 -0.38935038 -0.10333860 0.13229958 Nb -0.01305683 8.07232318 4.00304822 41 -0.51360633 0.20034875 0.26086348 Nb 2.05983529 10.09215535 4.09094899 41 -0.39434170 0.40884933 -0.12318446 Nb 1.99808306 8.04259851 6.09105448 41 -0.10854456 0.39797574 -0.05632595 Nb -0.03320642 10.11360216 6.08258831 41 0.63913830 -0.69361727 -0.12581996 Nb 4.06497746 8.04558935 4.03627480 41 -0.25640795 0.20340695 0.04976878 Nb 6.05365803 10.10424111 4.01043468 41 -0.19581378 0.70820037 0.22837856 Nb 6.03726605 8.08654936 6.01232763 41 0.18039940 0.19232767 0.19743059 Nb 4.03099633 10.11292081 6.06378286 41 0.12315423 0.63281018 0.04063242 Nb 8.10872050 8.07084328 4.01897063 41 0.29571706 0.26391571 0.16139201 Nb 10.13096783 10.13377515 3.99875990 41 -0.59036659 -0.86871405 0.13264739 Nb 10.06039326 8.05270443 6.09489552 41 0.79039660 0.62792236 -0.21424609 Nb 8.06146179 10.09010658 6.01437755 41 0.43035606 0.41427828 0.24702357 Nb 0.02571124 -0.02309924 8.03919889 41 0.15117528 0.24000474 0.28974316 Nb 1.98358923 1.98304141 8.07920285 41 0.27003480 0.28500562 0.10561283 Nb 2.01788811 0.01689372 10.08397389 41 0.21881895 0.29788918 -0.39746238 Nb 0.01530165 1.98788893 10.06858107 41 0.28340101 0.26013437 -0.38714395 Nb 4.00746338 0.00971803 8.04594569 41 0.23837322 -0.47689338 0.26992529 Nb 6.07450068 1.96916552 8.06460375 41 -0.44386517 0.20779406 0.14448911 Nb 6.06060683 0.03307548 10.08639094 41 -0.13064646 0.29462606 -0.29622506 Nb 4.01166555 2.06003372 10.12866535 41 0.38037370 -0.37431481 0.26576667 Nb 8.04588895 0.02796481 8.02933442 41 0.61151998 -0.68907530 0.36889874 Nb 10.12809318 2.02458940 8.10084269 41 0.54735892 -0.56232703 -0.30280047 Nb 10.07546548 0.00107597 10.08022507 41 -0.99363320 0.89456211 -0.95796831 Nb 8.08778722 2.03919989 10.06320636 41 0.04404893 -0.52321149 0.70601559 Nb -0.02545601 4.00583954 8.04608146 41 -0.31834027 0.21382490 0.35660109 Nb 2.01059844 6.05168346 8.10292287 41 -0.44108972 0.01340543 0.25752613 Nb 2.04996760 4.01261553 10.13543561 41 -0.64439217 0.29114663 0.29980333 Nb -0.02480161 6.02811727 10.13483413 41 0.65659751 -0.07333036 -0.65642371 Nb 4.05348827 4.11225244 8.05705680 41 -0.09539234 -0.38281367 0.44385086 Nb 6.09802288 6.11047030 8.07841606 41 0.01063049 -0.12431634 0.06141478 Nb 6.10906240 4.04099985 10.09921405 41 -0.24250402 0.07094900 0.49051708 Nb 4.01072700 6.06538801 10.07776729 41 0.24268777 -0.15371670 0.84937452 Nb 8.13369489 4.00223073 8.08998001 41 -0.43588684 0.40057412 0.04922325 Nb 10.13056570 6.03873167 8.10863347 41 0.53407175 0.18759230 0.08984841 Nb 10.10079255 3.99461148 10.04928368 41 -0.03579070 0.44172680 0.33405969 Nb 8.08319043 6.08651572 10.12691364 41 0.09671051 -0.26341135 0.55759316 Nb -0.01580406 8.07793627 8.10234656 41 -0.37961069 0.17814259 0.30855802 Nb 2.03723569 10.06834334 8.08505219 41 -0.24984374 0.40064852 0.18019584 Nb 2.03556744 8.06244040 10.13641114 41 -0.44450656 0.27694447 0.32753984 Nb -0.00384559 10.10528463 10.09878571 41 1.07363208 -1.02951696 -0.98842856 Nb 4.04790750 8.05711579 8.07030911 41 -0.05161549 0.18630389 0.13965789 Nb 6.02084011 10.08434191 8.05457639 41 0.34463925 0.45938303 0.34851485 Nb 6.04139987 8.06968767 10.09701296 41 0.11658115 0.17431725 0.65790003 Nb 4.06212321 10.08047976 10.12403317 41 -0.12005576 -0.35562302 -0.43412231 Nb 8.10261558 8.05358765 8.11641492 41 0.19460062 0.59120927 0.11831196 Nb 10.13675261 10.08320484 8.10915559 41 -0.82867509 -0.67300414 -0.19743921 Nb 10.11048576 8.04151131 10.12907631 41 -0.42179400 0.15371366 -0.57346994 Nb 8.11691388 10.08021979 10.11861556 41 -0.30666713 -0.66188814 -0.76467372