#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 {} {0.217904754802 0.526229768832 0.330062790415} C1 1 1 14 {} {0.271539733642 0.488898314083 0.288772618311} Si1 2 1 14 {} {0.171434528984 0.534781810036 0.250111288189} Si2 3 1 8 {} {0.284151534404 0.518228930044 0.188648003414} O1 4 1 8 {} {0.308997787353 0.513713596216 0.362127382158} O2 5 1 6 {} {0.270538493722 0.395448097115 0.283910707539} C2 6 1 6 {} {0.140269317047 0.45498363236 0.231922848615} C3 7 1 8 {} {0.195954110185 0.562610951994 0.156844817257} O3 8 1 8 {} {0.135643218999 0.594763852234 0.279668937675} O4 9 1 14 {} {0.360772433908 0.538188153594 0.363527957624} Si3 10 1 7 {} {0.393303895709 0.471213825219 0.3995706359} N1 11 1 14 {} {0.443672774587 0.471058279771 0.342995800784} Si4 12 1 14 {} {0.376822438597 0.420044574122 0.488476649395} Si5 13 1 7 {} {0.348772259166 0.4585916024 0.575536389124} N2 14 1 7 {} {0.450001177518 0.555003283573 0.322833237541} N3 15 1 1 {} {0.207043785343 0.498027002235 0.389416940557} H1 16 1 1 {} {0.226783863041 0.576815375397 0.353719605451} H2 17 1 1 {} {0.259606355295 0.54215117605 0.159607080092} H3 18 1 1 {} {0.265162086624 0.372217428202 0.349574460728} H4 19 1 1 {} {0.302216068484 0.376216286844 0.257044300442} H5 20 1 1 {} {0.243800312922 0.378637930306 0.238712454365} H6 21 1 1 {} {0.113713512177 0.46155857024 0.182233624739} H7 22 1 1 {} {0.124615022926 0.438148960313 0.294368433539} H8 23 1 1 {} {0.162012143865 0.414284207986 0.208740519007} H9 24 1 1 {} {0.177184139685 0.58444002292 0.11314833684} H10 25 1 1 {} {0.107655625873 0.580598633307 0.305426788378} H11 26 1 1 {} {0.37651389195 0.558354885079 0.274357536237} H12 27 1 1 {} {0.3634363551 0.596261477528 0.427074312973} H13 28 1 1 {} {0.477047345151 0.440056052099 0.402377198605} H14 29 1 1 {} {0.446413084312 0.43102612741 0.255260660346} H15 30 1 1 {} {0.345134910303 0.368240756493 0.45517012502} H16 31 1 1 {} {0.41698315675 0.38783530577 0.529014404071} H17 32 1 1 {} {0.317111488598 0.475664692811 0.565484470458} H18 33 1 1 {} {0.363990900605 0.48992864169 0.619611113645} H19 34 1 1 {} {0.482478103322 0.565576209654 0.313711851076} H20 35 1 1 {} {0.434957309864 0.588272848433 0.370246208748} H21 36 1 6 {} {0.653610923938 0.642029694412 0.482040228428} C4 37 1 14 {} {0.611777702064 0.578052132342 0.445133191615} Si6 38 1 14 {} {0.642855394944 0.727915281866 0.435272372025} Si7 39 1 8 {} {0.594097567285 0.587824940687 0.341858209282} O5 40 1 8 {} {0.630893658008 0.501690904647 0.458624521755} O6 41 1 6 {} {0.562006073242 0.580442025761 0.517705443856} C5 42 1 6 {} {0.592564771667 0.775572242967 0.479555845948} C6 43 1 8 {} {0.637761701532 0.715654559468 0.325131965466} O7 44 1 8 {} {0.688159714181 0.776049289568 0.44836909803} O8 45 1 14 {} {0.634582569051 0.422439492741 0.430094929201} Si8 46 1 7 {} {0.587617456238 0.372620859209 0.448911493428} N4 47 1 14 {} {0.567293087737 0.322291627868 0.359139095153} Si9 48 1 14 {} {0.563196323675 0.366733248504 0.555229120068} Si10 49 1 7 {} {0.59831453858 0.385837764257 0.64186081128} N5 50 1 7 {} {0.602176620477 0.2592664223 0.32128992853} N6 51 1 1 {} {0.645948652875 0.644209214918 0.553917034642} H22 52 1 1 {} {0.690246407888 0.632824294888 0.475412706197} H23 53 1 1 {} {0.6079222324 0.623314545718 0.306784697378} H24 54 1 1 {} {0.568887304298 0.590445370528 0.590597193144} H25 55 1 1 {} {0.547722634298 0.530128376182 0.507481995031} H26 56 1 1 {} {0.538250458235 0.617307363841 0.492508225845} H27 57 1 1 {} {0.591289764619 0.826415315478 0.450597795351} H28 58 1 1 {} {0.594472954143 0.782103615955 0.552485958041} H29 59 1 1 {} {0.559944703411 0.752428046132 0.465238866771} H30 60 1 1 {} {0.643205885658 0.75290115637 0.284861902284} H31 61 1 1 {} {0.687648701336 0.806957638862 0.498742524821} H32 62 1 1 {} {0.644097361969 0.416418841351 0.332970164933} H33 63 1 1 {} {0.67319039041 0.399211262608 0.484683289909} H34 64 1 1 {} {0.525890432497 0.289548082875 0.392739779172} H35 65 1 1 {} {0.559545827791 0.36492148252 0.280264842565} H36 66 1 1 {} {0.525600575448 0.416061350696 0.564901139086} H37 67 1 1 {} {0.545643892424 0.297541985833 0.566226047277} H38 68 1 1 {} {0.604116016117 0.434868078728 0.657895105905} H39 69 1 1 {} {0.625893479452 0.35761491532 0.655827360979} H40 70 1 1 {} {0.626440615486 0.269786961625 0.276107811002} H41 71 1 1 {} {0.611173645935 0.219803431033 0.360036422182} 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