#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 {} {0.356639378719 0.540566380874 0.422725833532} C1 1 1 14 {} {0.337579479412 0.507519253841 0.533758555179} Si1 2 1 14 {} {0.411697241857 0.583078675941 0.418397420224} Si2 3 1 8 {} {0.340879558043 0.567806243659 0.609001770785} O1 4 1 8 {} {0.284688692427 0.485607211527 0.525800096356} O2 5 1 6 {} {0.36926322783 0.431572963596 0.569159899263} C2 6 1 6 {} {0.460710257078 0.525741195548 0.412068616246} C3 7 1 8 {} {0.413482836376 0.627104282416 0.513730188655} O3 8 1 8 {} {0.41211781828 0.63381084937 0.330499610614} O4 9 1 14 {} {0.232312896592 0.491164248839 0.556419999722} Si3 10 1 7 {} {0.212731687938 0.412429869776 0.587878062064} N1 11 1 14 {} {0.176696723319 0.408121617503 0.679733727837} Si4 12 1 14 {} {0.228331715628 0.342433967683 0.523886766598} Si5 13 1 7 {} {0.229533073369 0.354881250694 0.410306753132} N2 14 1 7 {} {0.12918488464 0.456460013686 0.672564650727} N3 15 1 1 {} {0.356229522065 0.500132966728 0.372689248592} H1 16 1 1 {} {0.331688106968 0.577669440537 0.400707018686} H2 17 1 1 {} {0.364651126689 0.599952128494 0.595953259558} H3 18 1 1 {} {0.365936261128 0.390564435524 0.520677628139} H4 19 1 1 {} {0.356593114741 0.413502678618 0.633666239517} H5 20 1 1 {} {0.404978274213 0.442541587363 0.577436987281} H6 21 1 1 {} {0.492651291672 0.552863076446 0.411552187622} H7 22 1 1 {} {0.459336851828 0.494852973497 0.35142105306} H8 23 1 1 {} {0.461534729503 0.491750017469 0.469535223824} H9 24 1 1 {} {0.438742643947 0.656425887002 0.52387445905} H10 25 1 1 {} {0.440564685907 0.642416810199 0.30200574996} H11 26 1 1 {} {0.226589063607 0.536822071279 0.634421987183} H12 27 1 1 {} {0.206843603011 0.517738383404 0.478672312546} H13 28 1 1 {} {0.16381704176 0.33641151932 0.687880150692} H14 29 1 1 {} {0.199748681939 0.432468699668 0.761625182201} H15 30 1 1 {} {0.274252900498 0.320740147658 0.548796108077} H16 31 1 1 {} {0.195199575535 0.289025301058 0.544205388193} H17 32 1 1 {} {0.2559852197 0.378815382513 0.382349004997} H18 33 1 1 {} {0.201052394459 0.365499003396 0.376292629407} H19 34 1 1 {} {0.12900115042 0.504060306758 0.696297935155} H20 35 1 1 {} {0.106518390181 0.450481378485 0.622781883549} H21 36 1 6 {} {0.585308883736 0.342138549383 0.309180512889} C4 37 1 14 {} {0.580667627169 0.375492942798 0.426231827009} Si6 38 1 14 {} {0.569357672345 0.253054997562 0.291245478221} Si7 39 1 8 {} {0.609311314292 0.326553938323 0.494216953273} O5 40 1 8 {} {0.603143537755 0.450720432735 0.431121765316} O6 41 1 6 {} {0.521572647451 0.383662588182 0.463023705835} C5 42 1 6 {} {0.508459098461 0.242416004413 0.26764307894} C6 43 1 8 {} {0.58464506065 0.214414348875 0.385498987313} O7 44 1 8 {} {0.599073853483 0.216039156956 0.211382244651} O8 45 1 14 {} {0.646892322165 0.495481431824 0.459796798391} Si8 46 1 7 {} {0.631377527044 0.576546377026 0.48687019801} N4 47 1 14 {} {0.637874864278 0.604255343415 0.597254053921} Si9 48 1 14 {} {0.607472722936 0.630233436688 0.407854865252} Si10 49 1 7 {} {0.618589767405 0.610993390813 0.298034182276} N5 50 1 7 {} {0.690642062646 0.624052531492 0.633621711937} N6 51 1 1 {} {0.565887556165 0.373880549932 0.263211540755} H22 52 1 1 {} {0.620626505919 0.347249973674 0.289573801208} H23 53 1 1 {} {0.607618790689 0.279437040061 0.476691674179} H24 54 1 1 {} {0.502663847982 0.41638818391 0.418112240535} H25 55 1 1 {} {0.520106788485 0.405695005518 0.530178286827} H26 56 1 1 {} {0.504554105668 0.334978536267 0.465309923905} H27 57 1 1 {} {0.499143981554 0.189300216379 0.263005562968} H28 58 1 1 {} {0.499194981706 0.266561661533 0.204268678902} H29 59 1 1 {} {0.488033565515 0.265289749847 0.320402919117} H30 60 1 1 {} {0.587335429023 0.166067536655 0.383256465112} H31 61 1 1 {} {0.585871590901 0.21201597507 0.15264720981} H32 62 1 1 {} {0.668915150145 0.466775699275 0.540454617655} H33 63 1 1 {} {0.678616263401 0.495146918587 0.383129962052} H34 64 1 1 {} {0.610367707693 0.666324290606 0.603849694203} H35 65 1 1 {} {0.621514477123 0.551290026804 0.658907681357} H36 66 1 1 {} {0.557718834308 0.629448260919 0.415483569116} H37 67 1 1 {} {0.624441408036 0.699095547191 0.42590895053} H38 68 1 1 {} {0.602223547722 0.572558407374 0.268196450812} H39 69 1 1 {} {0.650157685434 0.614539714866 0.273970202652} H40 70 1 1 {} {0.712059258403 0.586817577883 0.651425111273} H41 71 1 1 {} {0.707627422946 0.663177752239 0.606351808776} 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