#MD System 2.0 @Title neb0_image09 @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 {} {0.223856805145 0.525281244273 0.340238846777} C1 1 1 14 {} {0.277840590118 0.488340161543 0.298516177195} Si1 2 1 14 {} {0.177191666864 0.533740324838 0.259250843922} Si2 3 1 8 {} {0.290379445772 0.521316835333 0.200606161102} O1 4 1 8 {} {0.317707426568 0.508732502003 0.369468229593} O2 5 1 6 {} {0.275852922427 0.395112963744 0.291427878128} C2 6 1 6 {} {0.145632457619 0.454028882031 0.241504713962} C3 7 1 8 {} {0.201687698292 0.559732580425 0.165047418759} O3 8 1 8 {} {0.141820437145 0.594805456416 0.286220569893} O4 9 1 14 {} {0.369239909394 0.537575388482 0.37423128763} Si3 10 1 7 {} {0.403084134428 0.474077828773 0.417003523325} N1 11 1 14 {} {0.455495994747 0.470225604189 0.370992927307} Si4 12 1 14 {} {0.383414419809 0.420155108841 0.499407009301} Si5 13 1 7 {} {0.354503982796 0.458233736512 0.5843249797} N2 14 1 7 {} {0.469474327685 0.555478387723 0.365130860118} N3 15 1 1 {} {0.212273357157 0.496647375937 0.398717302634} H1 16 1 1 {} {0.231730906926 0.576099784381 0.364423534874} H2 17 1 1 {} {0.264874175368 0.541481112401 0.16987653758} H3 18 1 1 {} {0.270695598087 0.372101512404 0.357250819093} H4 19 1 1 {} {0.307566948629 0.376042604792 0.264690464817} H5 20 1 1 {} {0.24907457405 0.377995530123 0.246753186634} H6 21 1 1 {} {0.119116612506 0.460238359452 0.191453216983} H7 22 1 1 {} {0.130107694411 0.43629988971 0.303718145243} H8 23 1 1 {} {0.168046372038 0.414225299673 0.21791286945} H9 24 1 1 {} {0.183168782578 0.582703050546 0.121775964168} H10 25 1 1 {} {0.113444812621 0.582481002205 0.312317361851} H11 26 1 1 {} {0.385475751514 0.557392445698 0.284611470672} H12 27 1 1 {} {0.368179150467 0.59621607725 0.4355265362} H13 28 1 1 {} {0.482233738992 0.422137383634 0.426664265515} H14 29 1 1 {} {0.460532919455 0.453789331615 0.276207698942} H15 30 1 1 {} {0.352128257953 0.371100749221 0.458848972977} H16 31 1 1 {} {0.423134699871 0.386086230679 0.538145456063} H17 32 1 1 {} {0.322886103125 0.47460122453 0.573423220216} H18 33 1 1 {} {0.370472568237 0.488540162726 0.62837378231} H19 34 1 1 {} {0.499868461195 0.566433713852 0.335254173009} H20 35 1 1 {} {0.473893428325 0.576222578563 0.426526014092} H21 36 1 6 {} {0.637582921083 0.641196359198 0.472231531566} C4 37 1 14 {} {0.599946498558 0.577909825491 0.42605269555} Si6 38 1 14 {} {0.634092572427 0.72725449952 0.427495214693} Si7 39 1 8 {} {0.593773305229 0.585192337148 0.316373565489} O5 40 1 8 {} {0.616644761256 0.501807641105 0.448469886802} O6 41 1 6 {} {0.546962277498 0.586733609519 0.484495744195} C5 42 1 6 {} {0.586399205873 0.777623310078 0.472253513101} C6 43 1 8 {} {0.629707787036 0.716319382314 0.316987762771} O7 44 1 8 {} {0.681545357993 0.768698528666 0.443171396913} O8 45 1 14 {} {0.627162965488 0.423900986693 0.420876730594} Si8 46 1 7 {} {0.581853613728 0.371930460584 0.439173284206} N4 47 1 14 {} {0.562358031379 0.322509530198 0.350542690318} Si9 48 1 14 {} {0.557176636636 0.368485398351 0.545550097997} Si10 49 1 7 {} {0.592550748533 0.387308027942 0.632235728174} N5 50 1 7 {} {0.59727963725 0.259959618082 0.313117365156} N6 51 1 1 {} {0.632152372235 0.641939540212 0.544957261343} H22 52 1 1 {} {0.671191353908 0.622205682197 0.459977065121} H23 53 1 1 {} {0.606572647699 0.627046035672 0.29334036249} H24 54 1 1 {} {0.542050757647 0.574119842116 0.554735116427} H25 55 1 1 {} {0.532297319758 0.542457015963 0.453899099287} H26 56 1 1 {} {0.527486118419 0.63117321812 0.464888599598} H27 57 1 1 {} {0.585627596379 0.8280880624 0.442845586797} H28 58 1 1 {} {0.588426707698 0.783178401119 0.545207459622} H29 59 1 1 {} {0.554299942605 0.753543130813 0.457107584698} H30 60 1 1 {} {0.637669201075 0.753814141011 0.279108647942} H31 61 1 1 {} {0.681915612761 0.803667528628 0.487840599249} H32 62 1 1 {} {0.638667548698 0.419059695796 0.324098653144} H33 63 1 1 {} {0.66633859962 0.403780488825 0.475723077219} H34 64 1 1 {} {0.520519109075 0.29067830248 0.383355469176} H35 65 1 1 {} {0.554082842456 0.365571911702 0.27107136655} H36 66 1 1 {} {0.520255575622 0.417959822807 0.552906782297} H37 67 1 1 {} {0.539911786957 0.299113642427 0.557307295852} H38 68 1 1 {} {0.598910212398 0.435928154075 0.647512693488} H39 69 1 1 {} {0.61950767154 0.358206853554 0.645803227475} H40 70 1 1 {} {0.621883308063 0.271077507659 0.268904742087} H41 71 1 1 {} {0.606788111847 0.222192057597 0.354347798849} 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