#MD System 2.0 @Title neb0_image06 @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 {} {0.215815991509 0.526736565792 0.327058459504} C1 1 1 14 {} {0.26965783353 0.489673410625 0.285193156946} Si1 2 1 14 {} {0.169120811291 0.535200304811 0.246174174043} Si2 3 1 8 {} {0.28225991033 0.522431728836 0.18717120087} O1 4 1 8 {} {0.309490845321 0.510422095055 0.356293104979} O2 5 1 6 {} {0.267801475612 0.396497952427 0.278510308899} C2 6 1 6 {} {0.137566312161 0.455502852617 0.228348994636} C3 7 1 8 {} {0.193607817214 0.561345257211 0.15201431601} O3 8 1 8 {} {0.133684614691 0.596135396771 0.2733883187} O4 9 1 14 {} {0.360989919841 0.53912457166 0.361281683661} Si3 10 1 7 {} {0.395316461786 0.475556440183 0.402704687018} N1 11 1 14 {} {0.44896071242 0.473957723126 0.358686829379} Si4 12 1 14 {} {0.375333077527 0.421602601078 0.486307018696} Si5 13 1 7 {} {0.346299389762 0.459581292554 0.571682705578} N2 14 1 7 {} {0.467207242234 0.556013447938 0.360013447351} N3 15 1 1 {} {0.204200156645 0.498170336544 0.385569633826} H1 16 1 1 {} {0.223684484987 0.577586425008 0.351143351151} H2 17 1 1 {} {0.256822178975 0.542960563436 0.15668586071} H3 18 1 1 {} {0.262604766569 0.373464123462 0.344305200195} H4 19 1 1 {} {0.299502893638 0.377455257726 0.251705802825} H5 20 1 1 {} {0.241007987799 0.379540552459 0.233752093533} H6 21 1 1 {} {0.111023708287 0.461762695409 0.178345962327} H7 22 1 1 {} {0.122005485127 0.437862903122 0.290581460327} H8 23 1 1 {} {0.159899365413 0.415585385024 0.204788607666} H9 24 1 1 {} {0.17505890048 0.584215525223 0.108762318334} H10 25 1 1 {} {0.105346649821 0.583729831555 0.299378086859} H11 26 1 1 {} {0.377460039544 0.558965334452 0.271444729069} H12 27 1 1 {} {0.360122886155 0.597903150376 0.422702784427} H13 28 1 1 {} {0.47438750769 0.423710506522 0.413544831082} H14 29 1 1 {} {0.451856847684 0.454312914741 0.26280671317} H15 30 1 1 {} {0.343932981592 0.37235705431 0.445809409715} H16 31 1 1 {} {0.415077090251 0.387599034133 0.525112631869} H17 32 1 1 {} {0.314708119729 0.476191494956 0.560323731612} H18 33 1 1 {} {0.36231064516 0.490198730104 0.615385730534} H19 34 1 1 {} {0.493842518784 0.56765824153 0.319930580058} H20 35 1 1 {} {0.471084099952 0.577526625845 0.421060221307} H21 36 1 6 {} {0.645834948497 0.639719773893 0.485518616678} C4 37 1 14 {} {0.606501761527 0.575876472865 0.439509506449} Si6 38 1 14 {} {0.642256122369 0.726049100399 0.440384856952} Si7 39 1 8 {} {0.601789942651 0.58394992629 0.32984081808} O5 40 1 8 {} {0.625346154625 0.500430419354 0.461720954368} O6 41 1 6 {} {0.550714734762 0.582143215747 0.492602913345} C5 42 1 6 {} {0.594446905981 0.776142181884 0.485239924922} C6 43 1 8 {} {0.638059951586 0.714802676868 0.330012210608} O7 44 1 8 {} {0.689697824357 0.767547856609 0.456134660356} O8 45 1 14 {} {0.6353394517 0.42240493768 0.434129941332} Si8 46 1 7 {} {0.589857116257 0.370396689768 0.452081370171} N4 47 1 14 {} {0.570380488432 0.321177062464 0.363746164935} Si9 48 1 14 {} {0.565144596011 0.367135135729 0.558769016666} Si10 49 1 7 {} {0.600566826124 0.385874924438 0.645271979183} N5 50 1 7 {} {0.605265111281 0.258387515108 0.326015987303} N6 51 1 1 {} {0.640561798579 0.640623670363 0.558285235022} H22 52 1 1 {} {0.679944720332 0.62121420851 0.473334226117} H23 53 1 1 {} {0.614573714646 0.625535608355 0.30634881} H24 54 1 1 {} {0.550654338602 0.573665944058 0.565176892011} H25 55 1 1 {} {0.531484585133 0.541688260126 0.461184972395} H26 56 1 1 {} {0.534690462792 0.630250151565 0.478163428252} H27 57 1 1 {} {0.593700875768 0.826598395692 0.455880393765} H28 58 1 1 {} {0.596543555466 0.781729900058 0.55817085232} H29 59 1 1 {} {0.562319633614 0.752115312953 0.4701857166} H30 60 1 1 {} {0.645782868613 0.752323353005 0.291995801215} H31 61 1 1 {} {0.689975525717 0.802404896335 0.501074585282} H32 62 1 1 {} {0.64673787277 0.417575440922 0.337138636991} H33 63 1 1 {} {0.674542498402 0.402231311972 0.488883465263} H34 64 1 1 {} {0.528575239836 0.289238866673 0.396571206325} H35 65 1 1 {} {0.562178480672 0.364173616509 0.284051992563} H36 66 1 1 {} {0.528051065693 0.416419165964 0.56558624832} H37 67 1 1 {} {0.548004316675 0.297598162411 0.570402666824} H38 68 1 1 {} {0.606877749888 0.434512354776 0.660636280486} H39 69 1 1 {} {0.627504988328 0.356694412389 0.658804265486} H40 70 1 1 {} {0.62990315992 0.269537631049 0.281875796287} H41 71 1 1 {} {0.61481675553 0.220596092483 0.367109523008} 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