Si73C31N9O103-F atom (VASP-4) 1.0 32.52140000 0.00000000 0.00000000 0.00000000 12.52140000 0.00000000 0.00000000 0.00000000 10.66520000 73 103 31 9 1 Selective dynamics Direct 0.68898519 0.99072162 0.99349958 T T T 0.37607652 0.17087846 0.85793028 F F F 0.30811318 0.00678939 0.74559288 F F F 0.37078254 0.13691945 0.61124155 F F F 0.67078959 0.05838789 0.52431001 T T T 0.36250557 0.14256908 0.36355288 F F F 0.68619795 0.98776622 0.25500389 T T T 0.36628695 0.15110841 0.10951919 F F F 0.43212068 0.99791221 0.99540522 F F F 0.50163780 0.16175757 0.88216668 F F F 0.43784039 0.00317473 0.75396291 F F F 0.50213869 0.16470430 0.63528651 F F F 0.44393211 0.01457948 0.50594408 F F F 0.51582864 0.13926145 0.40299481 F F F 0.42675266 0.99520728 0.25472663 F F F 0.49155382 0.14452427 0.14351133 F F F 0.56983152 0.01293964 0.99570774 F F F 0.63127778 0.17187743 0.85956290 T T T 0.56427364 0.99321594 0.74407909 F F F 0.62641593 0.18075662 0.62497011 T T T 0.56206780 0.01687511 0.49339919 F F F 0.62185304 0.17764748 0.36606953 T T T 0.58222540 0.98196831 0.21847846 T T T 0.63256459 0.17025789 0.12021503 T T T 0.31175736 0.29505848 0.95877672 F F F 0.37582374 0.50363008 0.88098233 F F F 0.32409381 0.30752082 0.74385354 F F F 0.38519067 0.49044950 0.62977530 F F F 0.69174590 0.28534003 0.46869844 T T T 0.38471197 0.52144590 0.37652234 F F F 0.69034887 0.48078846 0.52354922 T T T 0.31139127 0.33340346 0.22897843 F F F 0.37605165 0.52082752 0.13051182 F F F 0.43852200 0.33092155 0.01031588 F F F 0.50605938 0.50454049 0.87177018 F F F 0.44256752 0.34353255 0.76416593 F F F 0.49749777 0.50842966 0.62358361 F F F 0.43686371 0.26250880 0.52924084 F F F 0.48668872 0.43360271 0.40224598 F F F 0.42798362 0.28760470 0.25155491 F F F 0.50284927 0.52799097 0.11868425 F F F 0.57029415 0.33233293 0.98887319 F F F 0.62472127 0.51352262 0.87051480 T T T 0.56159325 0.33177981 0.74877020 F F F 0.60372792 0.49454200 0.62205837 T T T 0.56314369 0.33835174 0.49206879 F F F 0.61836670 0.53586828 0.36009967 T T T 0.55731020 0.32000982 0.23729626 F F F 0.62942353 0.50450646 0.12198542 T T T 0.30790580 0.66257799 0.98666219 F F F 0.37020715 0.82150794 0.86443516 F F F 0.31959390 0.64563500 0.73492431 F F F 0.38794431 0.81157275 0.62834457 F F F 0.67354422 0.69715958 0.49738529 T T T 0.37245971 0.79685204 0.38394913 F F F 0.30890910 0.66667107 0.23627362 F F F 0.36836156 0.83396814 0.11632829 F F F 0.43640623 0.67398259 0.00801715 F F F 0.50008702 0.83960561 0.88258634 F F F 0.43968028 0.66518308 0.77069543 F F F 0.49692122 0.83873619 0.62903594 F F F 0.43630546 0.68002591 0.51849940 F F F 0.50193407 0.86683678 0.37205483 F F F 0.44858021 0.70288423 0.24331497 F F F 0.53201664 0.84498682 0.14964639 F F F 0.56399953 0.66126686 0.98589187 F F F 0.62727107 0.82741344 0.87331587 T T T 0.56151671 0.67557107 0.73958188 F F F 0.63229578 0.83316180 0.63781866 T T T 0.55140506 0.67014668 0.49501726 F F F 0.60170277 0.81056469 0.38512574 T T T 0.56222688 0.66132631 0.22675135 F F F 0.62700358 0.81430509 0.10945014 T T T 0.34534477 0.08601272 0.98370816 F F F 0.36222789 0.33518366 0.97447634 F F F 0.41163538 0.06983993 0.87224337 F F F 0.34821200 0.09249438 0.74955777 F F F 0.32495644 0.35582378 0.58299791 F F F 0.41662961 0.07539230 0.63932121 F F F 0.39036096 0.20908528 0.47445830 F F F 0.34402752 0.06669826 0.24331462 F F F 0.32620567 0.24271637 0.11022288 F F F 0.40727701 0.05866077 0.11829779 F F F 0.39169463 0.19959183 0.25384643 F F F 0.47361300 0.08931014 0.00557297 F F F 0.46205326 0.26417782 0.88256374 F F F 0.54144520 0.06500282 0.87376624 F F F 0.47844242 0.09606243 0.76168606 F F F 0.46713140 0.26320060 0.65988548 F F F 0.53904261 0.06864463 0.63161921 F F F 0.52848765 0.22789663 0.75499915 F F F 0.45346647 0.31448637 0.37873293 F F F 0.51691417 0.92545813 0.50137965 F F F 0.52905422 0.24032710 0.51057149 F F F 0.46799211 0.07389151 0.24688727 F F F 0.45555263 0.23931006 0.13861512 F F F 0.53997214 0.12909712 0.08691487 F F F 0.51942598 0.21055517 0.26947572 F F F 0.60576150 0.11179122 0.99237361 T T T 0.59179911 0.27177618 0.86453000 T T T 0.66581804 0.06842197 0.86689762 T T T 0.65153081 0.23932582 0.98794873 T T T 0.60319809 0.10635082 0.74025451 T T T 0.59015815 0.28739922 0.62319290 T T T 0.32324633 0.16702811 0.54078485 F F F 0.59797091 0.12089201 0.49538964 T T T 0.58496855 0.27704081 0.36224980 T T T 0.65665522 0.06681179 0.36989412 T T T 0.64430428 0.24911992 0.49328492 T T T 0.59887248 0.10967731 0.23781280 T T T 0.59289208 0.27820895 0.12659320 T T T 0.66642233 0.06313401 0.11750106 T T T 0.33971383 0.60367159 0.87646986 F F F 0.41969597 0.41130306 0.89020989 F F F 0.40283767 0.57077566 0.00495697 F F F 0.34793051 0.43729974 0.76669471 F F F 0.34210626 0.60257584 0.35702130 F F F 0.36910432 0.39687733 0.38560294 F F F 0.33675639 0.60989192 0.12497826 F F F 0.46587113 0.60637864 0.88952221 F F F 0.53605546 0.38782478 0.87321074 F F F 0.47750459 0.44275356 0.75867887 F F F 0.46265437 0.61648162 0.64187103 F F F 0.54032011 0.41314112 0.61645674 F F F 0.52572416 0.56651178 0.74747749 F F F 0.46914630 0.42056123 0.54207481 F F F 0.53199337 0.38719902 0.36200778 F F F 0.46584347 0.61947953 0.12167535 F F F 0.53398938 0.55166614 0.23027716 F F F 0.60122742 0.43811661 0.99792266 T T T 0.59111348 0.61432673 0.86305433 T T T 0.59431970 0.44191631 0.76520217 T T T 0.59755687 0.44570404 0.47431613 T T T 0.67919008 0.40683724 0.39440997 T T T 0.65565983 0.57538693 0.46528479 T T T 0.60123389 0.45066646 0.24426505 T T T 0.59581270 0.61483870 0.10937351 T T T 0.66926521 0.40742245 0.12979334 T T T 0.65567691 0.57002686 0.24624012 T T T 0.34662428 0.76176476 0.99769956 F F F 0.41404157 0.73470729 0.88484806 F F F 0.39122808 0.90147805 0.98877536 F F F 0.33746153 0.83861658 0.58649447 F F F 0.40433921 0.55967435 0.75767940 F F F 0.39916543 0.89962687 0.74621844 F F F 0.41631898 0.72620197 0.36715384 F F F 0.34649327 0.77133954 0.24880713 F F F 0.32666357 0.92219303 0.12174570 F F F 0.40815839 0.72217830 0.13492191 F F F 0.39753296 0.88930202 0.22910089 F F F 0.46015810 0.93764594 0.87540232 F F F 0.53725168 0.73497845 0.87089215 F F F 0.53215508 0.90585132 0.00691469 F F F 0.47059476 0.77783050 0.75742485 F F F 0.46073222 0.93913583 0.62947275 F F F 0.52821462 0.73018187 0.63217408 F F F 0.52315217 0.89993744 0.75400498 F F F 0.47188379 0.77904369 0.50443510 F F F 0.45813766 0.92759310 0.36549519 F F F 0.52710462 0.75937907 0.34333216 F F F 0.57075236 0.82162947 0.51413876 F F F 0.53495486 0.71651716 0.10449962 F F F 0.52899872 0.95320856 0.24769186 F F F 0.59832499 0.77099879 0.98982876 T T T 0.59136080 0.93934353 0.87042487 T T T 0.66619680 0.73019160 0.87968466 T T T 0.64679375 0.89725231 0.99921733 T T T 0.60239081 0.77044280 0.74767380 T T T 0.67123951 0.71917991 0.65154013 T T T 0.65657811 0.89157702 0.76135006 T T T 0.62970577 0.75620531 0.50942144 T T T 0.58822519 0.95611211 0.37053317 T T T 0.66965098 0.74584674 0.33884420 T T T 0.66174736 0.91324329 0.54291649 T T T 0.64411398 0.90828047 0.21195528 T T T 0.66677846 0.72929298 0.11775031 T T T 0.39119980 0.25023651 0.00221538 F F F 0.37871566 0.25775697 0.70985020 F F F 0.36615648 0.01556927 0.49878895 F F F 0.40028003 0.02168098 0.40315192 F F F 0.52729494 0.22994784 0.01867471 F F F 0.47050784 0.13509028 0.49420566 F F F 0.65729166 0.23690826 0.25901527 T T T 0.34956558 0.44201310 0.01534786 F F F 0.34183001 0.58105953 0.58025984 F F F 0.40362764 0.34797943 0.64241007 F F F 0.36146476 0.40935295 0.24674012 F F F 0.40723825 0.40290640 0.18802588 F F F 0.42077268 0.50536584 0.25383845 F F F 0.48731401 0.39854650 0.06568137 F F F 0.47642210 0.60374815 0.35767460 F F F 0.50577582 0.57977641 0.45295445 F F F 0.52022352 0.33207502 0.09582312 F F F 0.68961591 0.43891480 0.00800433 T T T 0.66347637 0.53773148 0.99016140 T T T 0.65641343 0.47304668 0.65191285 T T T 0.66222425 0.53973174 0.74594043 T T T 0.58842039 0.65479451 0.36750943 T T T 0.32652690 0.91473932 0.85809355 F F F 0.31728762 0.92713634 0.57593985 F F F 0.34353353 0.66837171 0.47411326 F F F 0.39162319 0.91834711 0.47420944 F F F 0.46863926 0.80187243 0.03020477 F F F 0.47682924 0.81814154 0.17498268 F F F 0.45591630 0.88981436 0.09406355 F F F 0.58762555 0.91969719 0.60070076 T T T 0.65580585 0.86069049 0.33407970 T T T 0.31987701 0.22672830 0.33318896 F F F 0.65954194 0.23984213 0.73593299 T T T 0.35963453 0.73891332 0.74032573 F F F 0.41144011 0.55872945 0.50295071 F F F 0.53143057 0.55417760 0.99301765 F F F 0.46226473 0.50989563 0.29532925 F F F 0.58184848 0.61121972 0.61125416 T T T 0.32734351 0.98455865 0.46323963 F F F 0.58463117 0.81712591 0.20974004 T T T 0.95283233 0.50570056 0.50000000 T T T