#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 {} {0.373196656434 0.584877103028 0.410920817462} C1 1 1 14 {} {0.349910290718 0.558225522609 0.52161137475} Si1 2 1 14 {} {0.434843944207 0.595690223366 0.406504107105} Si2 3 1 8 {} {0.363056544802 0.614971998775 0.597618745248} O1 4 1 8 {} {0.294912297327 0.556341156015 0.514671570703} O2 5 1 6 {} {0.368849616071 0.473012129487 0.556289966954} C2 6 1 6 {} {0.466090330974 0.515504158006 0.391828798903} C3 7 1 8 {} {0.44778797413 0.630698906179 0.50536325522} O3 8 1 8 {} {0.447880511058 0.647049274153 0.323392329675} O4 9 1 14 {} {0.244528429299 0.560957560372 0.555890263139} Si3 10 1 7 {} {0.224816086014 0.482862615725 0.59003788604} N1 11 1 14 {} {0.202362905266 0.474578516703 0.697491890312} Si4 12 1 14 {} {0.225380406261 0.415164480421 0.515005638243} Si5 13 1 7 {} {0.219321093112 0.436589928264 0.404661623663} N2 14 1 7 {} {0.151936456574 0.513627289015 0.717561339228} N3 15 1 1 {} {0.363181737077 0.54912877052 0.358599421308} H1 16 1 1 {} {0.357564969571 0.633231203544 0.393906347847} H2 17 1 1 {} {0.392925528735 0.633405093291 0.587995352821} H3 18 1 1 {} {0.360131878437 0.434441642035 0.506967300826} H4 19 1 1 {} {0.353144527743 0.459222700992 0.620010495028} H5 20 1 1 {} {0.405190673793 0.471807045572 0.56627306352} H6 21 1 1 {} {0.502178798911 0.525097177663 0.388665851812} H7 22 1 1 {} {0.456501568011 0.491214584168 0.328821143} H8 23 1 1 {} {0.459969470499 0.479922187773 0.446317400256} H9 24 1 1 {} {0.478535783186 0.645308660005 0.511594012422} H10 25 1 1 {} {0.479852991227 0.649905502292 0.312040017804} H11 26 1 1 {} {0.242779650617 0.605171968109 0.636147876289} H12 27 1 1 {} {0.215647456751 0.589107957202 0.484235432419} H13 28 1 1 {} {0.195647184652 0.401499182389 0.711769947382} H14 29 1 1 {} {0.233903228313 0.503779960303 0.763517628129} H15 30 1 1 {} {0.268691298588 0.378676933242 0.520818732742} H16 31 1 1 {} {0.187807148046 0.370480834015 0.541570289326} H17 32 1 1 {} {0.246313649329 0.451019908823 0.368483931835} H18 33 1 1 {} {0.191281850668 0.459753263813 0.382346241523} H19 34 1 1 {} {0.151156329359 0.563214106967 0.732661994749} H20 35 1 1 {} {0.12388756694 0.499886197426 0.684076833606} H21 36 1 6 {} {0.617621160211 0.607805370378 0.352087621199} C4 37 1 14 {} {0.574535286654 0.545286137768 0.389483321138} Si6 38 1 14 {} {0.611978334229 0.69627973733 0.388560461306} Si7 39 1 8 {} {0.524254847673 0.58092353672 0.384071015214} O5 40 1 8 {} {0.575303677338 0.480800232116 0.322386814226} O6 41 1 6 {} {0.585583888477 0.513329331245 0.504377059861} C5 42 1 6 {} {0.630127361087 0.713343186671 0.505783680211} C6 43 1 8 {} {0.557125257003 0.711118606706 0.37702020112} O7 44 1 8 {} {0.639835464334 0.745588283074 0.31875288165} O8 45 1 14 {} {0.568902700743 0.420398484433 0.249479379812} Si8 46 1 7 {} {0.581397424671 0.34233825374 0.292466629169} N4 47 1 14 {} {0.53778300151 0.285999323475 0.315891367486} Si9 48 1 14 {} {0.63594261284 0.316988365162 0.317695166874} Si10 49 1 7 {} {0.677048182147 0.363084749399 0.266608276247} N5 50 1 7 {} {0.513761166334 0.242826014331 0.229082425396} N6 51 1 1 {} {0.651037876136 0.589461873831 0.370867620585} H22 52 1 1 {} {0.616886849062 0.608594345861 0.278411611491} H23 53 1 1 {} {0.52649591741 0.629974575063 0.379126083115} H24 54 1 1 {} {0.617703417481 0.486758883393 0.507052440689} H25 55 1 1 {} {0.559494847698 0.477777813795 0.524703628253} H26 56 1 1 {} {0.586506967951 0.55384132528 0.553980450022} H27 57 1 1 {} {0.624868574916 0.766115989355 0.523960951649} H28 58 1 1 {} {0.665720763101 0.701947082455 0.515161807847} H29 59 1 1 {} {0.611151019848 0.682788992158 0.553542828614} H30 60 1 1 {} {0.546697373998 0.756982422388 0.374172443961} H31 61 1 1 {} {0.65766128629 0.781355465093 0.343854498557} H32 62 1 1 {} {0.521248377489 0.418514697718 0.220742812029} H33 63 1 1 {} {0.598108776284 0.436485477894 0.171958950253} H34 64 1 1 {} {0.557742306793 0.235332585825 0.377160974245} H35 65 1 1 {} {0.501039447659 0.324004023183 0.359212759041} H36 66 1 1 {} {0.645239995324 0.323040047565 0.41520541651} H37 67 1 1 {} {0.639727791837 0.245560213204 0.289640230656} H38 68 1 1 {} {0.690223175634 0.403978638563 0.296888682184} H39 69 1 1 {} {0.679993215177 0.366153389574 0.199235131318} H40 70 1 1 {} {0.491706392114 0.266245917081 0.188084099127} H41 71 1 1 {} {0.531300755281 0.207487137092 0.195172979877} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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