#MD System 2.0 @Title neb0_image07 @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 {} {0.369441114073 0.575478698065 0.411698933844} C1 1 1 14 {} {0.346187950123 0.548743293808 0.522356901112} Si1 2 1 14 {} {0.431280708576 0.585690261912 0.407290214768} Si2 3 1 8 {} {0.359326133309 0.605524902594 0.598401125575} O1 4 1 8 {} {0.291184852229 0.546935554188 0.515438549364} O2 5 1 6 {} {0.365110139347 0.463566929996 0.557094952083} C2 6 1 6 {} {0.461991679101 0.505049974531 0.392722971382} C3 7 1 8 {} {0.443985350559 0.62143384273 0.506256599868} O3 8 1 8 {} {0.44399127818 0.638006511015 0.324076991862} O4 9 1 14 {} {0.240792866382 0.551496283583 0.556659110613} Si3 10 1 7 {} {0.221080735233 0.473410558077 0.590830171499} N1 11 1 14 {} {0.198625567872 0.465128149375 0.698257732132} Si4 12 1 14 {} {0.221649314726 0.405737705656 0.515764798681} Si5 13 1 7 {} {0.215580268154 0.427125195575 0.405431070503} N2 14 1 7 {} {0.148193399573 0.504169280184 0.718355056898} N3 15 1 1 {} {0.359463558978 0.539681535553 0.359399091969} H1 16 1 1 {} {0.353818157017 0.623774081878 0.394689028442} H2 17 1 1 {} {0.389181575398 0.623934345393 0.58876179067} H3 18 1 1 {} {0.356398780939 0.424987661194 0.507743307144} H4 19 1 1 {} {0.349396187239 0.449761844508 0.620792528693} H5 20 1 1 {} {0.401439206858 0.462348769656 0.567026079158} H6 21 1 1 {} {0.497429448443 0.514806759122 0.389545102614} H7 22 1 1 {} {0.452616601546 0.48157499988 0.329543193969} H8 23 1 1 {} {0.456002756642 0.470221921096 0.447220925401} H9 24 1 1 {} {0.474757886385 0.63570316694 0.512447564889} H10 25 1 1 {} {0.475804150837 0.640138867957 0.312448122945} H11 26 1 1 {} {0.239046262469 0.595726918766 0.636926383597} H12 27 1 1 {} {0.211907008965 0.579660612542 0.485015321689} H13 28 1 1 {} {0.191916006648 0.39204614743 0.712549482328} H14 29 1 1 {} {0.230170712195 0.494331658224 0.764298604277} H15 30 1 1 {} {0.264949842332 0.369220371855 0.521592885279} H16 31 1 1 {} {0.184064838818 0.361039032319 0.542346315184} H17 32 1 1 {} {0.242578651459 0.441573261633 0.369257379135} H18 33 1 1 {} {0.187543930928 0.45031336741 0.383121815691} H19 34 1 1 {} {0.147421951609 0.553762290088 0.733439179288} H20 35 1 1 {} {0.120151805546 0.490427123965 0.684854047729} H21 36 1 6 {} {0.621382733224 0.617261655928 0.351281535749} C4 37 1 14 {} {0.578766884462 0.554676344865 0.388734022501} Si6 38 1 14 {} {0.61578780888 0.705750483978 0.387793903073} Si7 39 1 8 {} {0.529223717427 0.592047825929 0.383216850069} O5 40 1 8 {} {0.579052591806 0.490379537695 0.321632447309} O6 41 1 6 {} {0.589296970838 0.52279750194 0.503594950612} C5 42 1 6 {} {0.633856692794 0.722792716057 0.504988837346} C6 43 1 8 {} {0.560804627657 0.720564299401 0.376253299276} O7 44 1 8 {} {0.643555641586 0.755030366735 0.317993046493} O8 45 1 14 {} {0.572584983133 0.429781886192 0.248629003882} Si8 46 1 7 {} {0.585160425871 0.351821078415 0.2916850729} N4 47 1 14 {} {0.541482247718 0.295436117326 0.31509363463} Si9 48 1 14 {} {0.639664798789 0.326424664015 0.316938011996} Si10 49 1 7 {} {0.680791821297 0.372569440962 0.265806024691} N5 50 1 7 {} {0.51752032132 0.252292911629 0.228309388702} N6 51 1 1 {} {0.654762543839 0.598924549246 0.370073206434} H22 52 1 1 {} {0.620620469662 0.618045602027 0.277642478977} H23 53 1 1 {} {0.530732651655 0.640144618037 0.378494394534} H24 54 1 1 {} {0.621429794655 0.496235075014 0.506264775939} H25 55 1 1 {} {0.563219836457 0.487251576285 0.523923014979} H26 56 1 1 {} {0.590238035454 0.563307129813 0.553217432375} H27 57 1 1 {} {0.628606014309 0.775570577688 0.523184520382} H28 58 1 1 {} {0.669453921875 0.711396897891 0.51437862654} H29 59 1 1 {} {0.614890347445 0.692240639257 0.552774666018} H30 60 1 1 {} {0.550425142872 0.766462991704 0.373388306641} H31 61 1 1 {} {0.661395254838 0.790809361085 0.343063838844} H32 62 1 1 {} {0.524997496008 0.427972667887 0.219964748557} H33 63 1 1 {} {0.601852148464 0.445954445957 0.171203246108} H34 64 1 1 {} {0.561484633003 0.244787576694 0.376379146427} H35 65 1 1 {} {0.504765912986 0.333483982931 0.358447645061} H36 66 1 1 {} {0.648981927076 0.332505137907 0.41443310355} H37 67 1 1 {} {0.643475875175 0.255016323976 0.288853177094} H38 68 1 1 {} {0.693971177037 0.413433542763 0.296118008509} H39 69 1 1 {} {0.683726802056 0.375606228144 0.19844500624} H40 70 1 1 {} {0.495446152046 0.275683962705 0.187315029721} H41 71 1 1 {} {0.535033243295 0.216944658811 0.194383889931} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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