#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 {} {0.223524069507 0.525334136611 0.339742337824} C1 1 1 14 {} {0.277526786443 0.488370261405 0.297956957513} Si1 2 1 14 {} {0.176851984153 0.533825531343 0.258732058533} Si2 3 1 8 {} {0.290077882368 0.521477741017 0.200113784821} O1 4 1 8 {} {0.317418404558 0.508700889539 0.368907374337} O2 5 1 6 {} {0.275513971178 0.395157289127 0.290871031453} C2 6 1 6 {} {0.14530451339 0.454096550881 0.240980422807} C3 7 1 8 {} {0.201347334526 0.559705124757 0.164481606571} O3 8 1 8 {} {0.141493559411 0.594919247146 0.285647046093} O4 9 1 14 {} {0.36904387873 0.537383566285 0.373848211873} Si3 10 1 7 {} {0.403614100519 0.474519801573 0.416101043255} N1 11 1 14 {} {0.456331063259 0.471752756373 0.372423725191} Si4 12 1 14 {} {0.383315715411 0.420530452285 0.498243171788} Si5 13 1 7 {} {0.354190023439 0.458264901608 0.583770463039} N2 14 1 7 {} {0.472623223719 0.552253858938 0.370680790331} N3 15 1 1 {} {0.211941665171 0.496709032636 0.398212128928} H1 16 1 1 {} {0.231384459398 0.576142407476 0.363917578378} H2 17 1 1 {} {0.26454654065 0.541535806605 0.169386191825} H3 18 1 1 {} {0.27036604417 0.372186324994 0.356739235479} H4 19 1 1 {} {0.307242221169 0.376137191633 0.264124076773} H5 20 1 1 {} {0.248745456661 0.378045750568 0.24620225939} H6 21 1 1 {} {0.118794719694 0.460280190578 0.190936889486} H7 22 1 1 {} {0.129782147914 0.436342053164 0.303183077142} H8 23 1 1 {} {0.16772665205 0.414294281564 0.217373753259} H9 24 1 1 {} {0.182864667791 0.582736626303 0.121252476929} H10 25 1 1 {} {0.113129339109 0.582592878458 0.311734620208} H11 26 1 1 {} {0.385272789485 0.557522423788 0.28411610275} H12 27 1 1 {} {0.367808752216 0.596374784045 0.435028359402} H13 28 1 1 {} {0.482061756898 0.421250011341 0.426983885396} H14 29 1 1 {} {0.460334039378 0.455377593809 0.277759559369} H15 30 1 1 {} {0.351807634834 0.371231631123 0.458229863843} H16 31 1 1 {} {0.422793875824 0.386149472919 0.537700692258} H17 32 1 1 {} {0.322552149039 0.474695202456 0.572888651761} H18 33 1 1 {} {0.370174110481 0.488611097667 0.62783561062} H19 34 1 1 {} {0.501998351921 0.567689060186 0.334945290342} H20 35 1 1 {} {0.479948348374 0.576353252578 0.434364529105} H21 36 1 6 {} {0.636947198238 0.640511806911 0.472685542566} C4 37 1 14 {} {0.597802100319 0.577257186736 0.426744254969} Si6 38 1 14 {} {0.634345488708 0.727037582485 0.428236434784} Si7 39 1 8 {} {0.594505480034 0.584809270377 0.315486716623} O5 40 1 8 {} {0.616812073505 0.501951494514 0.449165657833} O6 41 1 6 {} {0.545992694739 0.585027070377 0.481818496569} C5 42 1 6 {} {0.586708133521 0.777636430602 0.472782525179} C6 43 1 8 {} {0.629985672 0.716324640833 0.317525049006} O7 44 1 8 {} {0.681872445001 0.768532010443 0.443744005316} O8 45 1 14 {} {0.627455745917 0.424017886065 0.421323602294} Si8 46 1 7 {} {0.582194896657 0.371922425618 0.439957701755} N4 47 1 14 {} {0.562633847963 0.322372054543 0.350976389753} Si9 48 1 14 {} {0.557267416389 0.368515604205 0.545551621258} Si10 49 1 7 {} {0.592840539902 0.387300108595 0.633002979742} N5 50 1 7 {} {0.597598417726 0.259975027168 0.313742133668} N6 51 1 1 {} {0.632463351227 0.641981634007 0.545863280774} H22 52 1 1 {} {0.6708437889 0.621825625761 0.460481617142} H23 53 1 1 {} {0.607166747311 0.627369118618 0.293578544189} H24 54 1 1 {} {0.540985590981 0.573267724 0.548992799513} H25 55 1 1 {} {0.52582301929 0.543564180546 0.448545376392} H26 56 1 1 {} {0.526355505367 0.632549375592 0.463873571041} H27 57 1 1 {} {0.585947177603 0.828037052311 0.443413671328} H28 58 1 1 {} {0.588761244932 0.783109561246 0.545748521438} H29 59 1 1 {} {0.554629380734 0.75343922745 0.457622763021} H30 60 1 1 {} {0.638010604944 0.753795169729 0.279644699071} H31 61 1 1 {} {0.682247232698 0.803556037784 0.488371652782} H32 62 1 1 {} {0.639006576966 0.418980411123 0.324658180235} H33 63 1 1 {} {0.666651036295 0.403670590472 0.476240194951} H34 64 1 1 {} {0.520828362178 0.290629370751 0.383888465227} H35 65 1 1 {} {0.5544098575 0.365536601681 0.27146997414} H36 66 1 1 {} {0.520478419508 0.417853523562 0.552765013964} H37 67 1 1 {} {0.540262871344 0.299114058971 0.557824454541} H38 68 1 1 {} {0.599244528317 0.435963865142 0.64802354034} H39 69 1 1 {} {0.619786686185 0.358123924241 0.646223080986} H40 70 1 1 {} {0.622220783096 0.271009045502 0.269493439882} H41 71 1 1 {} {0.607140703552 0.222187082477 0.354927316117} 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