#MD System 2.0 @Title neb0_image08 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.225376464824 0.524893924287 0.343940935415} C1 1 1 14 {} {0.278654163439 0.487554925452 0.302563809161} Si1 2 1 14 {} {0.179609931207 0.533545204718 0.263741294346} Si2 3 1 8 {} {0.29239578754 0.517643246177 0.203347588155} O1 4 1 8 {} {0.313307842277 0.513509018741 0.379804254836} O2 5 1 6 {} {0.278661240916 0.394043833685 0.296834278414} C2 6 1 6 {} {0.148589709441 0.453642011706 0.245728772068} C3 7 1 8 {} {0.204407741449 0.561232033173 0.170492783619} O3 8 1 8 {} {0.144087652108 0.594054895946 0.292934770787} O4 9 1 14 {} {0.364743681566 0.533460011363 0.375711759274} Si3 10 1 7 {} {0.395618595893 0.463512118786 0.407417903005} N1 11 1 14 {} {0.443583276297 0.466839459925 0.341249879877} Si4 12 1 14 {} {0.383664553506 0.415700634912 0.500500731568} Si5 13 1 7 {} {0.356903114761 0.456806085 0.588845451866} N2 14 1 7 {} {0.438951427836 0.553408064289 0.299858819183} N3 15 1 1 {} {0.215078219717 0.496325781634 0.403159679713} H1 16 1 1 {} {0.23521911731 0.574907405647 0.367820616501} H2 17 1 1 {} {0.267812431203 0.540967936676 0.17315788319} H3 18 1 1 {} {0.27331503209 0.370809944326 0.362558660613} H4 19 1 1 {} {0.310445827677 0.37496812622 0.270078906931} H5 20 1 1 {} {0.251939338674 0.377053348574 0.25159026724} H6 21 1 1 {} {0.122077826816 0.460137161502 0.195890883336} H7 22 1 1 {} {0.133069424606 0.436811227265 0.308266079578} H8 23 1 1 {} {0.170633124207 0.413259373342 0.222677538769} H9 24 1 1 {} {0.185618825193 0.582683519965 0.126831909183} H10 25 1 1 {} {0.116080469524 0.57993516082 0.31841774124} H11 26 1 1 {} {0.37751795171 0.554760543725 0.28379544568} H12 27 1 1 {} {0.372459006905 0.592496962382 0.438860137625} H13 28 1 1 {} {0.482884117631 0.45218126366 0.399689230602} H14 29 1 1 {} {0.44960984619 0.414210431064 0.258336687374} H15 30 1 1 {} {0.352539971366 0.364035579634 0.473571298003} H16 31 1 1 {} {0.424266194908 0.386683040903 0.541200599637} H17 32 1 1 {} {0.325510193623 0.474516747337 0.580267789683} H18 33 1 1 {} {0.372369605721 0.487461187513 0.632756899826} H19 34 1 1 {} {0.46852828485 0.572177751447 0.316932971035} H20 35 1 1 {} {0.411453916913 0.593174884159 0.330374457012} H21 36 1 6 {} {0.65432967734 0.644468805792 0.468783544382} C4 37 1 14 {} {0.611943937626 0.580083590884 0.437988183477} Si6 38 1 14 {} {0.638067029201 0.729564897421 0.422288297139} Si7 39 1 8 {} {0.584478420194 0.592148659183 0.342060237742} O5 40 1 8 {} {0.6288117031 0.503100431604 0.445567185052} O6 41 1 6 {} {0.568568158545 0.579495393898 0.529002629723} C5 42 1 6 {} {0.585663082295 0.775688899175 0.466352421325} C6 43 1 8 {} {0.629851903295 0.718672524594 0.312363737049} O7 44 1 8 {} {0.681055111298 0.783902484396 0.431361781763} O8 45 1 14 {} {0.627662884891 0.422940694463 0.41571182339} Si8 46 1 7 {} {0.580014311018 0.375336071078 0.436518101989} N4 47 1 14 {} {0.558885341727 0.324017611449 0.345533385072} Si9 48 1 14 {} {0.555941351737 0.367249639687 0.542768351877} Si10 49 1 7 {} {0.591272637569 0.385766664324 0.627138754815} N5 50 1 7 {} {0.593863780722 0.260073817403 0.307451918733} N6 51 1 1 {} {0.646017739492 0.648673677756 0.539936109077} H22 52 1 1 {} {0.691445235102 0.64375646089 0.469017582953} H23 53 1 1 {} {0.596145840889 0.622990068337 0.299925393482} H24 54 1 1 {} {0.576269105775 0.603861688053 0.594414639047} H25 55 1 1 {} {0.562755178701 0.527772330932 0.539333756566} H26 56 1 1 {} {0.536863826146 0.60412822705 0.496309624857} H27 57 1 1 {} {0.583553937237 0.826698751698 0.43712147459} H28 58 1 1 {} {0.586205260487 0.78329724931 0.539506676016} H29 59 1 1 {} {0.552944589291 0.752654436688 0.45100807913} H30 60 1 1 {} {0.634131636817 0.755069044374 0.269709308626} H31 61 1 1 {} {0.680706704294 0.81165472024 0.48571745204} H32 62 1 1 {} {0.635789798119 0.416540460842 0.319785020996} H33 63 1 1 {} {0.665535549911 0.398043484682 0.471053921596} H34 64 1 1 {} {0.51778222865 0.290781798662 0.379296104359} H35 65 1 1 {} {0.550973659885 0.365830551712 0.268141238715} H36 66 1 1 {} {0.519069265438 0.41819438772 0.557572747472} H37 67 1 1 {} {0.537435895672 0.298676910083 0.552862866104} H38 68 1 1 {} {0.596193107289 0.435401462234 0.645090857333} H39 69 1 1 {} {0.61959581288 0.358565245158 0.643913371955} H40 70 1 1 {} {0.618057271658 0.271556513078 0.262858118546} H41 71 1 1 {} {0.602812998743 0.221242433948 0.34713460113} H42 72 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end