#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 {} {0.224879829138 0.527422794752 0.333528506882} C1 1 1 14 {} {0.276425771569 0.485239857417 0.299899452295} Si1 2 1 14 {} {0.179055429634 0.529816689371 0.254895401413} Si2 3 1 8 {} {0.286803157619 0.496878947686 0.187318517399} O1 4 1 8 {} {0.312976992065 0.516553827704 0.369684747733} O2 5 1 6 {} {0.275033431558 0.392332223638 0.295983161774} C2 6 1 6 {} {0.146697109975 0.451300352566 0.240904863897} C3 7 1 8 {} {0.199345110136 0.565907819662 0.164419840276} O3 8 1 8 {} {0.143122903896 0.581286703932 0.301515368387} O4 9 1 14 {} {0.365216455564 0.54106739064 0.37752899089} Si3 10 1 7 {} {0.386498507231 0.463553977011 0.410921034666} N1 11 1 14 {} {0.415016718797 0.44462833304 0.27729254707} Si4 12 1 14 {} {0.379846182056 0.415591987263 0.508218303514} Si5 13 1 7 {} {0.349750965366 0.453839923752 0.592295340186} N2 14 1 7 {} {0.337270568075 0.594607099266 0.128279800343} N3 15 1 1 {} {0.213872122329 0.498387850109 0.391496375031} H1 16 1 1 {} {0.236456995173 0.577807564784 0.35395277499} H2 17 1 1 {} {0.269756106821 0.540002762898 0.161810530962} H3 18 1 1 {} {0.268643535899 0.363173831292 0.355938872913} H4 19 1 1 {} {0.305736457557 0.368432769259 0.271303184404} H5 20 1 1 {} {0.247993221653 0.379725434574 0.249585190566} H6 21 1 1 {} {0.120468566279 0.464252714285 0.191290847217} H7 22 1 1 {} {0.129562920305 0.439107648322 0.305243066733} H8 23 1 1 {} {0.1660885318 0.407328986018 0.218376423596} H9 24 1 1 {} {0.176423036734 0.58743979825 0.122207792978} H10 25 1 1 {} {0.113139265487 0.568308896686 0.323071492301} H11 26 1 1 {} {0.380553208911 0.558118045595 0.2941286183} H12 27 1 1 {} {0.368638443367 0.594872457798 0.440373578183} H13 28 1 1 {} {0.482547171353 0.468879936731 0.387277314284} H14 29 1 1 {} {0.443756338776 0.377460730641 0.2156726491} H15 30 1 1 {} {0.350501505637 0.364170861106 0.463070226535} H16 31 1 1 {} {0.424607926543 0.38463847798 0.532283743346} H17 32 1 1 {} {0.321406030065 0.474684512345 0.572483675644} H18 33 1 1 {} {0.365535712023 0.493724722045 0.628027849157} H19 34 1 1 {} {0.470568174874 0.52278086306 0.291514839674} H20 35 1 1 {} {0.299024369811 0.604681846625 0.212318734256} H21 36 1 6 {} {0.673609463723 0.658059568371 0.468734927236} C4 37 1 14 {} {0.639114914753 0.598388197842 0.479627805565} Si6 38 1 14 {} {0.640773347141 0.7370859357 0.419596127429} Si7 39 1 8 {} {0.560418843919 0.602267411478 0.376214010848} O5 40 1 8 {} {0.635824001419 0.505124847646 0.450639748607} O6 41 1 6 {} {0.627847412787 0.610341726109 0.657027171037} C5 42 1 6 {} {0.588527856727 0.780850784151 0.471933724681} C6 43 1 8 {} {0.63107753431 0.717724974739 0.311551843601} O7 44 1 8 {} {0.686104427767 0.785888299149 0.431959986737} O8 45 1 14 {} {0.630627039858 0.42468828767 0.429605197539} Si8 46 1 7 {} {0.583301022793 0.37163619241 0.435864475409} N4 47 1 14 {} {0.566295868147 0.321158917251 0.357373120601} Si9 48 1 14 {} {0.550255753734 0.366898181655 0.533813437485} Si10 49 1 7 {} {0.602688382232 0.389105125201 0.622434035677} N5 50 1 7 {} {0.587856704822 0.25683727728 0.295175343164} N6 51 1 1 {} {0.64613061576 0.645398348076 0.53504415433} H22 52 1 1 {} {0.70889843428 0.653581161998 0.463021612073} H23 53 1 1 {} {0.594550191445 0.615805302481 0.302677177374} H24 54 1 1 {} {0.608053437528 0.634600554162 0.735155614011} H25 55 1 1 {} {0.68934732756 0.475221489701 0.63890737487} H26 56 1 1 {} {0.561020481738 0.601844901469 0.534274937415} H27 57 1 1 {} {0.585794744439 0.830809638889 0.439170107102} H28 58 1 1 {} {0.589439232603 0.7879327034 0.545543751726} H29 59 1 1 {} {0.555374441772 0.75900482438 0.458185318834} H30 60 1 1 {} {0.638511265061 0.751427206778 0.268221635118} H31 61 1 1 {} {0.684593073301 0.80997395628 0.484016329508} H32 62 1 1 {} {0.638567240817 0.423096714947 0.323096617219} H33 63 1 1 {} {0.670669270683 0.408398380182 0.481489153174} H34 64 1 1 {} {0.521214677675 0.296454744558 0.388435942813} H35 65 1 1 {} {0.554214613704 0.368435502152 0.276225052149} H36 66 1 1 {} {0.516130299661 0.412772351059 0.576654117674} H37 67 1 1 {} {0.54246707068 0.291366762214 0.559441613316} H38 68 1 1 {} {0.593393969769 0.432732621432 0.647249272036} H39 69 1 1 {} {0.61689437591 0.361506845733 0.649201325626} H40 70 1 1 {} {0.615823708222 0.270633221546 0.26022172582} H41 71 1 1 {} {0.599047573975 0.212241135064 0.337911984408} 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