#MD System 2.0 @Title neb0_image04 @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 {} {0.21072650027 0.527801624404 0.318448884429} C1 1 1 14 {} {0.264434502461 0.490391255765 0.276864681555} Si1 2 1 14 {} {0.164098420696 0.536094060501 0.237667894318} Si2 3 1 8 {} {0.276693472364 0.521924849779 0.178000284898} O1 4 1 8 {} {0.304368124676 0.511412720304 0.34748672205} O2 5 1 6 {} {0.262544451049 0.397267193957 0.270366383165} C2 6 1 6 {} {0.132419164422 0.456490990814 0.220218050889} C3 7 1 8 {} {0.188389238095 0.56222356943 0.143413295884} O3 8 1 8 {} {0.128752956429 0.596700311285 0.265839479607} O4 9 1 14 {} {0.355829829378 0.540307729948 0.353339939079} Si3 10 1 7 {} {0.390158857555 0.47690619801 0.39479205649} N1 11 1 14 {} {0.443619704837 0.47444984804 0.350488012097} Si4 12 1 14 {} {0.370300839942 0.422628327051 0.477859157932} Si5 13 1 7 {} {0.340999947133 0.460303885765 0.563160938992} N2 14 1 7 {} {0.462459808137 0.556250202516 0.351780197945} N3 15 1 1 {} {0.199097038436 0.499196685064 0.376881915828} H1 16 1 1 {} {0.218789261666 0.578616269776 0.342397327678} H2 17 1 1 {} {0.251636846317 0.5438952176 0.147866993054} H3 18 1 1 {} {0.257279319189 0.373924129518 0.335863138038} H4 19 1 1 {} {0.294202229446 0.377998317739 0.243705382118} H5 20 1 1 {} {0.235776389584 0.380492482 0.225495872614} H6 21 1 1 {} {0.105946498871 0.463018131814 0.170116323412} H7 22 1 1 {} {0.116770862957 0.43903381921 0.282499732328} H8 23 1 1 {} {0.154643366927 0.416431897575 0.196666137035} H9 24 1 1 {} {0.16971379048 0.58538824363 0.100447284519} H10 25 1 1 {} {0.10023367972 0.584175671688 0.29136437303} H11 26 1 1 {} {0.372369475772 0.560153585729 0.263911864841} H12 27 1 1 {} {0.354864315357 0.598847887169 0.414493420478} H13 28 1 1 {} {0.469164173285 0.424433468571 0.405014001069} H14 29 1 1 {} {0.446597304917 0.455349720374 0.254987332656} H15 30 1 1 {} {0.338960890644 0.373458790704 0.437178170383} H16 31 1 1 {} {0.410004174877 0.388429762498 0.516388389823} H17 32 1 1 {} {0.309473963132 0.476886595796 0.551767717944} H18 33 1 1 {} {0.35689624261 0.491140968232 0.606829223031} H19 34 1 1 {} {0.489340981147 0.56821195307 0.312592852685} H20 35 1 1 {} {0.467017767498 0.57811257064 0.412267019079} H21 36 1 6 {} {0.650755326195 0.638839257275 0.493695835514} C4 37 1 14 {} {0.611547331231 0.575039592802 0.447879960488} Si6 38 1 14 {} {0.647408861927 0.725154695988 0.448529175569} Si7 39 1 8 {} {0.60618658472 0.583297798242 0.338261902592} O5 40 1 8 {} {0.630936305898 0.499877933071 0.47061254868} O6 41 1 6 {} {0.556002615553 0.581186033954 0.501514418321} C5 42 1 6 {} {0.599623839987 0.775480989934 0.493355433319} C6 43 1 8 {} {0.643781483891 0.713743727309 0.338076105985} O7 44 1 8 {} {0.694705234782 0.7671128547 0.464303259548} O8 45 1 14 {} {0.640612811898 0.421687819022 0.442855610031} Si8 46 1 7 {} {0.595001768787 0.369885267495 0.460713453823} N4 47 1 14 {} {0.575499153457 0.320494838791 0.371795852432} Si9 48 1 14 {} {0.570314567675 0.36600915142 0.567006924116} Si10 49 1 7 {} {0.605590379737 0.384885142395 0.654018040189} N5 50 1 7 {} {0.610307881182 0.257724367281 0.334093274761} N6 51 1 1 {} {0.645906481178 0.639774540389 0.566574341872} H22 52 1 1 {} {0.684877882712 0.62069183918 0.481393987507} H23 53 1 1 {} {0.619620652007 0.624367242115 0.314646246119} H24 54 1 1 {} {0.555194110939 0.572629073029 0.57392999579} H25 55 1 1 {} {0.536817846341 0.540849139943 0.469796792738} H26 56 1 1 {} {0.539808855336 0.629300781324 0.486558309348} H27 57 1 1 {} {0.598834861906 0.825968188319 0.463960909161} H28 58 1 1 {} {0.601697350333 0.781052863033 0.566373379465} H29 59 1 1 {} {0.567428164546 0.751546737463 0.47851611229} H30 60 1 1 {} {0.651034783311 0.751418877123 0.300016552987} H31 61 1 1 {} {0.695161930888 0.801598726467 0.509392564701} H32 62 1 1 {} {0.651961773836 0.416889684552 0.345961518378} H33 63 1 1 {} {0.679831048179 0.401322810823 0.497741277944} H34 64 1 1 {} {0.53373652173 0.288651469878 0.404497152202} H35 65 1 1 {} {0.567222887146 0.363289120473 0.292152434801} H36 66 1 1 {} {0.532933034681 0.415049104226 0.574057136993} H37 67 1 1 {} {0.55347109448 0.296241109074 0.578549278857} H38 68 1 1 {} {0.612105749947 0.433691568822 0.668489997876} H39 69 1 1 {} {0.632737681555 0.356047427863 0.667375827869} H40 70 1 1 {} {0.634833594095 0.26863535311 0.289703104493} H41 71 1 1 {} {0.619612920372 0.219518813484 0.37494899376} 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