#MD System 2.0 @Title neb0_image05 @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 {} {0.365499324819 0.566047941778 0.412817929524} C1 1 1 14 {} {0.342496260869 0.539541822937 0.523254841772} Si1 2 1 14 {} {0.427069740876 0.57622359569 0.408321750825} Si2 3 1 8 {} {0.355728583202 0.596219914882 0.599254428935} O1 4 1 8 {} {0.287393689774 0.538088691423 0.515984018229} O2 5 1 6 {} {0.361329662693 0.454343333211 0.557829096084} C2 6 1 6 {} {0.457232995909 0.495057313223 0.393497956431} C3 7 1 8 {} {0.440144766884 0.611711392945 0.506960955345} O3 8 1 8 {} {0.43947759735 0.628407103015 0.325489761947} O4 9 1 14 {} {0.237207406374 0.542495537144 0.557222463202} Si3 10 1 7 {} {0.217549265296 0.464245597423 0.591466064205} N1 11 1 14 {} {0.195112427615 0.455896252707 0.698997075711} Si4 12 1 14 {} {0.218059588438 0.396497150256 0.516361287183} Si5 13 1 7 {} {0.211949495079 0.417703671715 0.405934709923} N2 14 1 7 {} {0.144622096844 0.494884118774 0.719273190463} N3 15 1 1 {} {0.355838950196 0.53030900256 0.360165927189} H1 16 1 1 {} {0.350234358434 0.614613995867 0.395426267036} H2 17 1 1 {} {0.385545072758 0.614583731223 0.589434710512} H3 18 1 1 {} {0.352720162171 0.415694839646 0.508528371862} H4 19 1 1 {} {0.345654519183 0.440425713842 0.62153698672} H5 20 1 1 {} {0.397676576297 0.453073081525 0.567858745947} H6 21 1 1 {} {0.493182135748 0.50428892271 0.39069989329} H7 22 1 1 {} {0.447776563 0.470719023525 0.330525830604} H8 23 1 1 {} {0.45084380239 0.459711505969 0.448058370978} H9 24 1 1 {} {0.471192371124 0.624781792375 0.513319161783} H10 25 1 1 {} {0.471166017438 0.627216044065 0.311015593641} H11 26 1 1 {} {0.235436164238 0.58657538515 0.637572276964} H12 27 1 1 {} {0.208196157862 0.570478516158 0.485701879574} H13 28 1 1 {} {0.188401213299 0.382858191224 0.713237626987} H14 29 1 1 {} {0.22661798305 0.485153381803 0.764999614514} H15 30 1 1 {} {0.261302440234 0.35990848882 0.52224919463} H16 31 1 1 {} {0.18040171432 0.352011722346 0.543072958361} H17 32 1 1 {} {0.238960863296 0.432470121331 0.370007117144} H18 33 1 1 {} {0.183970442426 0.44123461908 0.383928721188} H19 34 1 1 {} {0.143847883871 0.544531833253 0.734122796613} H20 35 1 1 {} {0.116598217761 0.481133658631 0.685666858607} H21 36 1 6 {} {0.62587897761 0.626639000438 0.350374597826} C4 37 1 14 {} {0.582778390459 0.5645496528 0.387976256412} Si6 38 1 14 {} {0.619703949268 0.715038749752 0.387061278271} Si7 39 1 8 {} {0.533804262398 0.603904929103 0.382813348474} O5 40 1 8 {} {0.582554978066 0.50009477421 0.320685608577} O6 41 1 6 {} {0.593084435935 0.532131524256 0.502901843763} C5 42 1 6 {} {0.637555291992 0.731997397533 0.504344358305} C6 43 1 8 {} {0.564829046357 0.730159349245 0.375758287801} O7 44 1 8 {} {0.647039820074 0.764628920861 0.317011738184} O8 45 1 14 {} {0.576216491305 0.43930555698 0.247999107181} Si8 46 1 7 {} {0.588757446531 0.361259862903 0.291133352554} N4 47 1 14 {} {0.545082204679 0.304827288182 0.314362474733} Si9 48 1 14 {} {0.643277988816 0.335829069289 0.316262303022} Si10 49 1 7 {} {0.684356530691 0.381992415626 0.264966826132} N5 50 1 7 {} {0.521297649041 0.261809704755 0.227450459668} N6 51 1 1 {} {0.659374110144 0.608612368361 0.3687184454} H22 52 1 1 {} {0.624492706667 0.627324082143 0.276755558133} H23 53 1 1 {} {0.537861909427 0.652995146145 0.378746188084} H24 54 1 1 {} {0.625080287021 0.505314062771 0.506342653067} H25 55 1 1 {} {0.566742178233 0.496843322752 0.522730450527} H26 56 1 1 {} {0.593820586845 0.572665679666 0.552479167187} H27 57 1 1 {} {0.632260040767 0.784774549999 0.522451619578} H28 58 1 1 {} {0.673127533713 0.720557636961 0.513706936947} H29 59 1 1 {} {0.61852640905 0.701429173406 0.552025222924} H30 60 1 1 {} {0.553932998143 0.775755390789 0.372534352072} H31 61 1 1 {} {0.6650407884 0.800163362398 0.342087306343} H32 62 1 1 {} {0.528611929753 0.43719814726 0.219128217406} H33 63 1 1 {} {0.605485668892 0.45524757231 0.170469621603} H34 64 1 1 {} {0.565051813226 0.254092645204 0.375622097655} H35 65 1 1 {} {0.508301314118 0.342826652031 0.357720045495} H36 66 1 1 {} {0.652623951866 0.341893212008 0.413773619754} H37 67 1 1 {} {0.647196506412 0.26441001658 0.288078251938} H38 68 1 1 {} {0.69775294919 0.422690452973 0.295330176042} H39 69 1 1 {} {0.687354995294 0.384883687456 0.197729148279} H40 70 1 1 {} {0.498934937767 0.284801631678 0.186580631876} H41 71 1 1 {} {0.538694740141 0.226152275641 0.193645614005} 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