#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 {} {0.212987638227 0.527280176172 0.322548762623} C1 1 1 14 {} {0.2669059306 0.490256564948 0.280788658631} Si1 2 1 14 {} {0.166293485628 0.535709933825 0.241568442824} Si2 3 1 8 {} {0.279475925529 0.523203989642 0.18286805198} O1 4 1 8 {} {0.306790338874 0.510610668116 0.351725001741} O2 5 1 6 {} {0.264914730722 0.397070224166 0.273778936475} C2 6 1 6 {} {0.1347363552 0.456000842232 0.223845212081} C3 7 1 8 {} {0.190735713318 0.561652173638 0.147300129687} O3 8 1 8 {} {0.130928491693 0.596767585554 0.268638273972} O4 9 1 14 {} {0.3583045026 0.539522734456 0.356845309786} Si3 10 1 7 {} {0.392877477003 0.476407332369 0.398524231209} N1 11 1 14 {} {0.446997611491 0.474704322165 0.35654014815} Si4 12 1 14 {} {0.372639967189 0.422295382957 0.48142363582} Si5 13 1 7 {} {0.343538622823 0.460151361463 0.566783140168} N2 14 1 7 {} {0.467635435955 0.555331385048 0.360662453046} N3 15 1 1 {} {0.201361735163 0.498665765362 0.381007812087} H1 16 1 1 {} {0.220838716721 0.57812154474 0.346679536122} H2 17 1 1 {} {0.254006840613 0.543479335601 0.152161676714} H3 18 1 1 {} {0.2597578141 0.374041733832 0.339594694932} H4 19 1 1 {} {0.296637173996 0.378023087969 0.247029462578} H5 20 1 1 {} {0.238140850279 0.380018220687 0.229061220076} H6 21 1 1 {} {0.10822674747 0.462267661322 0.173801391506} H7 22 1 1 {} {0.119190134708 0.438315202459 0.28604773516} H8 23 1 1 {} {0.157123262529 0.416174757004 0.200228972892} H9 24 1 1 {} {0.17220990794 0.584729500872 0.104092747073} H10 25 1 1 {} {0.102534572097 0.584415471585 0.294686171606} H11 26 1 1 {} {0.374714805463 0.559465051506 0.267019940292} H12 27 1 1 {} {0.357226350096 0.59834536353 0.417954392873} H13 28 1 1 {} {0.471556714728 0.423074755354 0.40986354514} H14 29 1 1 {} {0.449527230331 0.456897497973 0.259957915021} H15 30 1 1 {} {0.341240743873 0.373176308817 0.441001442676} H16 31 1 1 {} {0.412210840947 0.388114619571 0.520470077644} H17 32 1 1 {} {0.311948327197 0.476667216776 0.555691258525} H18 33 1 1 {} {0.359566582793 0.490631100055 0.610685429826} H19 34 1 1 {} {0.492061637255 0.569140692128 0.317204506577} H20 35 1 1 {} {0.473073359624 0.577127555106 0.421026328337} H21 36 1 6 {} {0.647621048949 0.638788792901 0.490014692191} C4 37 1 14 {} {0.608304368013 0.575036553343 0.442826258052} Si6 38 1 14 {} {0.644920941879 0.725345904627 0.445158780578} Si7 39 1 8 {} {0.605060428795 0.583176095571 0.333123412719} O5 40 1 8 {} {0.627580367017 0.499978220324 0.466467343088} O6 41 1 6 {} {0.551808295064 0.581217529776 0.493620153547} C5 42 1 6 {} {0.597315945662 0.775687923265 0.489959659487} C6 43 1 8 {} {0.640550175612 0.71443987949 0.334709079212} O7 44 1 8 {} {0.692532417737 0.766661092926 0.460816798474} O8 45 1 14 {} {0.638077369795 0.422068086663 0.438526541652} Si8 46 1 7 {} {0.592771931387 0.369962204869 0.456821214004} N4 47 1 14 {} {0.573191755607 0.320608385324 0.368114160933} Si9 48 1 14 {} {0.567935623648 0.366522492897 0.562920589428} Si10 49 1 7 {} {0.603448183402 0.385422367499 0.649977772241} N5 50 1 7 {} {0.608071413796 0.257959512375 0.330678318178} N6 51 1 1 {} {0.643169013638 0.64008635658 0.563041495932} H22 52 1 1 {} {0.681636827459 0.620021975413 0.477615694931} H23 53 1 1 {} {0.617665448314 0.62523028351 0.310797748827} H24 54 1 1 {} {0.551530001612 0.571544662416 0.565692982328} H25 55 1 1 {} {0.530913903335 0.543029788185 0.461652154602} H26 56 1 1 {} {0.536650640964 0.630645140302 0.481133285283} H27 57 1 1 {} {0.596542595907 0.826102106348 0.460536809367} H28 58 1 1 {} {0.599356221441 0.781221452612 0.562903326324} H29 59 1 1 {} {0.565235536126 0.751554657344 0.474777804431} H30 60 1 1 {} {0.648607543059 0.75180310744 0.296734365339} H31 61 1 1 {} {0.692858107295 0.801631511641 0.505470981879} H32 62 1 1 {} {0.649588952384 0.417103337543 0.341853484579} H33 63 1 1 {} {0.67727288935 0.401811795625 0.493433997788} H34 64 1 1 {} {0.531426613726 0.288769569363 0.40109993835} H35 65 1 1 {} {0.565012754694 0.363555049007 0.288731067564} H36 66 1 1 {} {0.530803205754 0.415992946807 0.569709278467} H37 67 1 1 {} {0.550874973436 0.297118490425 0.574940698983} H38 68 1 1 {} {0.60976508969 0.433847577144 0.665068666342} H39 69 1 1 {} {0.630206013058 0.356317927622 0.663262223908} H40 70 1 1 {} {0.632775650341 0.269079206046 0.286519210263} H41 71 1 1 {} {0.617679028822 0.220103852244 0.371991511755} 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