#MD System 2.0 @Title neb0_image01 @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 {} {0.349253165616 0.559867096335 0.421640708593} C1 1 1 14 {} {0.330168807698 0.526819630663 0.532670388519} Si1 2 1 14 {} {0.404444382193 0.602019356171 0.417355744404} Si2 3 1 8 {} {0.333488765469 0.587129244216 0.607915082258} O1 4 1 8 {} {0.277251173389 0.504952933685 0.524710027188} O2 5 1 6 {} {0.361873505701 0.450905266641 0.568090915433} C2 6 1 6 {} {0.453579337477 0.544433226933 0.411182779828} C3 7 1 8 {} {0.406148358278 0.646337320469 0.512508468026} O3 8 1 8 {} {0.404817319879 0.653083889297 0.329707430715} O4 9 1 14 {} {0.224910179969 0.510463046378 0.555355642604} Si3 10 1 7 {} {0.205337061743 0.431746076255 0.586788597074} N1 11 1 14 {} {0.169298534366 0.427494671422 0.678645896936} Si4 12 1 14 {} {0.220936139982 0.361750887343 0.522748717041} Si5 13 1 7 {} {0.222142675741 0.37427575745 0.409228473905} N2 14 1 7 {} {0.121778792536 0.475827291898 0.671514282502} N3 15 1 1 {} {0.348826143293 0.519456088667 0.371596708155} H1 16 1 1 {} {0.324320266236 0.597011734433 0.399635091932} H2 17 1 1 {} {0.357251461341 0.61930026264 0.594881821664} H3 18 1 1 {} {0.358538741718 0.4099114184 0.51959685424} H4 19 1 1 {} {0.349200111396 0.432852934999 0.632592793504} H5 20 1 1 {} {0.397586137814 0.461901599642 0.576369832845} H6 21 1 1 {} {0.485379657982 0.572058026414 0.410391175552} H7 22 1 1 {} {0.452182034959 0.513823470624 0.350219608048} H8 23 1 1 {} {0.454550316765 0.510222384793 0.468613566675} H9 24 1 1 {} {0.431328718612 0.675768556696 0.522819377546} H10 25 1 1 {} {0.433161239429 0.661694319796 0.300841659041} H11 26 1 1 {} {0.219208444559 0.556166107853 0.633330752744} H12 27 1 1 {} {0.199469706356 0.537082852121 0.477612849412} H13 28 1 1 {} {0.156426885779 0.355762307616 0.686793601552} H14 29 1 1 {} {0.192347338035 0.451814834785 0.760539198081} H15 30 1 1 {} {0.266852510577 0.340091602007 0.547711321545} H16 31 1 1 {} {0.187801995037 0.308375279025 0.543130861819} H17 32 1 1 {} {0.248599133725 0.398170033133 0.381263386295} H18 33 1 1 {} {0.193659582323 0.384842641181 0.375219186493} H19 34 1 1 {} {0.121607915576 0.52342878984 0.695232511816} H20 35 1 1 {} {0.09912736645 0.469832103085 0.621702539776} H21 36 1 6 {} {0.592701933219 0.322773887675 0.310237818137} C4 37 1 14 {} {0.587928555007 0.356326407569 0.427194555295} Si6 38 1 14 {} {0.576732127338 0.233708943595 0.292339294018} Si7 39 1 8 {} {0.61654173546 0.307258167008 0.495277004828} O5 40 1 8 {} {0.610567419554 0.431378996204 0.432226517292} O6 41 1 6 {} {0.52866078207 0.365069399515 0.463831834808} C5 42 1 6 {} {0.515842235627 0.223064068738 0.268723684194} C6 43 1 8 {} {0.59206079687 0.195058491864 0.386582687036} O7 44 1 8 {} {0.60645654616 0.196670060009 0.212477270817} O8 45 1 14 {} {0.654300369928 0.476215927343 0.460877524396} Si8 46 1 7 {} {0.638793996042 0.557233885887 0.487931224022} N4 47 1 14 {} {0.645311391255 0.584926304102 0.598312085499} Si9 48 1 14 {} {0.614785418279 0.610915592723 0.409147685178} Si10 49 1 7 {} {0.625987963406 0.591697849855 0.299196257148} N5 50 1 7 {} {0.698058984649 0.604677720243 0.634653925} N6 51 1 1 {} {0.573280504309 0.354532107234 0.264290550297} H22 52 1 1 {} {0.628029214301 0.32789971583 0.290650573882} H23 53 1 1 {} {0.615001790825 0.260122497662 0.477741569413} H24 54 1 1 {} {0.509518589034 0.398060284361 0.419275378025} H25 55 1 1 {} {0.527432270461 0.386506114011 0.53137658693} H26 56 1 1 {} {0.511869590204 0.31615314329 0.466183423283} H27 57 1 1 {} {0.506533281901 0.169950744244 0.264076886251} H28 58 1 1 {} {0.506590488834 0.247216474378 0.205358143287} H29 59 1 1 {} {0.495428142328 0.245953055338 0.321470398231} H30 60 1 1 {} {0.59473962286 0.146710878027 0.384332133184} H31 61 1 1 {} {0.593266701824 0.192686558557 0.153719325183} H32 62 1 1 {} {0.676315400115 0.447421965427 0.541544620055} H33 63 1 1 {} {0.686000471302 0.475795332281 0.384236439744} H34 64 1 1 {} {0.617749833369 0.647004696486 0.60495758874} H35 65 1 1 {} {0.628910724882 0.531944823019 0.660005206607} H36 66 1 1 {} {0.56510072635 0.610117209468 0.416579293526} H37 67 1 1 {} {0.631884711304 0.679757493636 0.426955026203} H38 68 1 1 {} {0.609578555433 0.553194336705 0.269245576345} H39 69 1 1 {} {0.657619988529 0.595180935849 0.274985987327} H40 70 1 1 {} {0.719412392705 0.567526458621 0.652465205822} H41 71 1 1 {} {0.714984799821 0.643742737372 0.607469169125} 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