#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 {} {0.213630375162 0.5272059511 0.322995930487} C1 1 1 14 {} {0.26740586955 0.489881122977 0.281605626519} Si1 2 1 14 {} {0.166932551155 0.535476386622 0.242403406848} Si2 3 1 8 {} {0.279975658849 0.521741850412 0.182895052741} O1 4 1 8 {} {0.306999866688 0.511146120776 0.353014203822} O2 5 1 6 {} {0.265484197394 0.396630660695 0.275115442059} C2 6 1 6 {} {0.135439486771 0.455788306854 0.22472864948} C3 7 1 8 {} {0.191187840503 0.56187503567 0.148200035507} O3 8 1 8 {} {0.131536562768 0.596070164216 0.270540882563} O4 9 1 14 {} {0.35854666171 0.539575524248 0.357843186802} Si3 10 1 7 {} {0.392464486974 0.475547150383 0.398365091951} N1 11 1 14 {} {0.445675261627 0.473537846701 0.351749990574} Si4 12 1 14 {} {0.373093304011 0.421811078961 0.482433361097} Si5 13 1 7 {} {0.343924954481 0.459797757978 0.568096176891} N2 14 1 7 {} {0.461670922342 0.557236056945 0.348249663103} N3 15 1 1 {} {0.202061939371 0.498746521305 0.381675748369} H1 16 1 1 {} {0.221660527031 0.578028891254 0.34703526802} H2 17 1 1 {} {0.254855752819 0.543197360712 0.152742031661} H3 18 1 1 {} {0.260176695948 0.37342988425 0.340716381542} H4 19 1 1 {} {0.297135705184 0.377512555934 0.248260352043} H5 20 1 1 {} {0.238683668733 0.37997374012 0.230149116202} H6 21 1 1 {} {0.108903609354 0.462291232433 0.17475026252} H7 22 1 1 {} {0.119784027029 0.438370445189 0.286994852084} H8 23 1 1 {} {0.157562749709 0.415584180981 0.201204016818} H9 24 1 1 {} {0.172412898181 0.584893678484 0.105130302305} H10 25 1 1 {} {0.103120404362 0.583349605503 0.296310723197} H11 26 1 1 {} {0.374852372055 0.559353754555 0.268186738895} H12 27 1 1 {} {0.357842650909 0.598174339124 0.41941988722} H13 28 1 1 {} {0.472142006429 0.426272431625 0.407794682524} H14 29 1 1 {} {0.44853001621 0.451153547158 0.257200579727} H15 30 1 1 {} {0.341518083565 0.372256936639 0.442538785138} H16 31 1 1 {} {0.412806123534 0.387947457165 0.521291642214} H17 32 1 1 {} {0.312424674006 0.476537316355 0.556680519393} H18 33 1 1 {} {0.359871995397 0.490816172763 0.611706095838} H19 34 1 1 {} {0.490190125338 0.566298085548 0.31487478471} H20 35 1 1 {} {0.463119103368 0.579547361534 0.410172266739} H21 36 1 6 {} {0.649712773137 0.639881844386 0.489133893139} C4 37 1 14 {} {0.609844835801 0.576059916612 0.444964278678} Si6 38 1 14 {} {0.644863687921 0.725953044085 0.443643474992} Si7 39 1 8 {} {0.602592099476 0.584438196612 0.336661588369} O5 40 1 8 {} {0.628573089018 0.500434970291 0.465634230634} O6 41 1 6 {} {0.555139739093 0.581980167749 0.501619527193} C5 42 1 6 {} {0.59684339468 0.775915170299 0.488865704313} C6 43 1 8 {} {0.640111052209 0.714815514335 0.333535629838} O7 44 1 8 {} {0.692380193652 0.768273339486 0.458874161339} O8 45 1 14 {} {0.63788704472 0.422285334819 0.438569769959} Si8 46 1 7 {} {0.592053345168 0.369773592129 0.454506824897} N4 47 1 14 {} {0.57269792492 0.321238004727 0.367853603063} Si9 48 1 14 {} {0.567354316973 0.366701518137 0.562597443738} Si10 49 1 7 {} {0.603235647922 0.385674573784 0.648822179131} N5 50 1 7 {} {0.607015715833 0.257963370866 0.328856384657} N6 51 1 1 {} {0.643934322061 0.640701333824 0.561671873547} H22 52 1 1 {} {0.684112461059 0.622535521737 0.477251493057} H23 53 1 1 {} {0.616063843147 0.624557289781 0.310695130515} H24 54 1 1 {} {0.555651470284 0.575884831228 0.574830927056} H25 55 1 1 {} {0.537572126462 0.539224473316 0.472286076534} H26 56 1 1 {} {0.537925199496 0.628238854727 0.484953229665} H27 57 1 1 {} {0.59599123785 0.826411468856 0.459409935081} H28 58 1 1 {} {0.598886560612 0.781629979042 0.561826703801} H29 59 1 1 {} {0.564718432989 0.751863352536 0.473801872702} H30 60 1 1 {} {0.648043672051 0.75180931178 0.29494544654} H31 61 1 1 {} {0.692491370285 0.802447885282 0.504468206171} H32 62 1 1 {} {0.649006372155 0.417295673901 0.340724749128} H33 63 1 1 {} {0.676973695219 0.401888043211 0.492632358475} H34 64 1 1 {} {0.530725826864 0.289018140735 0.40055103335} H35 65 1 1 {} {0.564401458064 0.363987632125 0.287693923713} H36 66 1 1 {} {0.530066418823 0.415544424358 0.569724309535} H37 67 1 1 {} {0.550374605524 0.296881834048 0.573815002751} H38 68 1 1 {} {0.608822196689 0.433844683682 0.664070680326} H39 69 1 1 {} {0.629490171565 0.356518252574 0.662293352734} H40 70 1 1 {} {0.631844814863 0.269039521817 0.285015760679} H41 71 1 1 {} {0.616653580123 0.219535352547 0.369935666734} 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