#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 {} {0.356629652404 0.540635683239 0.422692882133} C1 1 1 14 {} {0.337593167259 0.507633131805 0.533748889032} Si1 2 1 14 {} {0.411871331265 0.582752654591 0.418507787191} Si2 3 1 8 {} {0.34083236452 0.567905326298 0.609014679266} O1 4 1 8 {} {0.28467213636 0.485644503119 0.525813611232} O2 5 1 6 {} {0.369227078883 0.431667726265 0.569143246398} C2 6 1 6 {} {0.460942222498 0.525152615407 0.412232068106} C3 7 1 8 {} {0.413468864408 0.627174610218 0.513603863246} O3 8 1 8 {} {0.412191835912 0.63364110915 0.330721127664} O4 9 1 14 {} {0.232342911818 0.491259036951 0.556421696815} Si3 10 1 7 {} {0.212692352408 0.412537829915 0.587854803937} N1 11 1 14 {} {0.17665605796 0.408182367508 0.679699421735} Si4 12 1 14 {} {0.228297459941 0.342526094305 0.523919913084} Si5 13 1 7 {} {0.229515682436 0.354892259133 0.410302686232} N2 14 1 7 {} {0.129149631242 0.456517643663 0.672517919343} N3 15 1 1 {} {0.356181460768 0.500203052561 0.372659304381} H1 16 1 1 {} {0.331697343771 0.577808284501 0.40069408272} H2 17 1 1 {} {0.364619510771 0.600037967672 0.595958277891} H3 18 1 1 {} {0.365906473847 0.390669708179 0.520645142616} H4 19 1 1 {} {0.356552579382 0.413610911905 0.633647134222} H5 20 1 1 {} {0.404939279774 0.442645023908 0.57743666117} H6 21 1 1 {} {0.492722559787 0.55280140725 0.411457308695} H7 22 1 1 {} {0.459516149223 0.494562570346 0.351260453302} H8 23 1 1 {} {0.461906709075 0.49099105767 0.46966299871} H9 24 1 1 {} {0.438726684604 0.656479161742 0.523890772331} H10 25 1 1 {} {0.440533969406 0.642450685015 0.301950121227} H11 26 1 1 {} {0.226553707325 0.536902773007 0.63443667848} H12 27 1 1 {} {0.206817381458 0.5178014486 0.478725455145} H13 28 1 1 {} {0.163764340357 0.336487080849 0.687832260369} H14 29 1 1 {} {0.199691746107 0.432521334571 0.761600070241} H15 30 1 1 {} {0.274222816962 0.320837416559 0.548828838892} H16 31 1 1 {} {0.195162986549 0.289108256593 0.544193623544} H17 32 1 1 {} {0.255948830598 0.378893951154 0.382363286225} H18 33 1 1 {} {0.201040470045 0.365557861758 0.376295949766} H19 34 1 1 {} {0.128951518471 0.504103654729 0.696299881673} H20 35 1 1 {} {0.106476006264 0.450582810373 0.622754353948} H21 36 1 6 {} {0.585331736669 0.342022629225 0.309172249487} C4 37 1 14 {} {0.580555450563 0.375592155151 0.42615350316} Si6 38 1 14 {} {0.569380822292 0.252936235863 0.291262895364} Si7 39 1 8 {} {0.609181540251 0.326519051429 0.494179748816} O5 40 1 8 {} {0.603203296087 0.450627933158 0.431179129564} O6 41 1 6 {} {0.521299233075 0.384291525285 0.462787008662} C5 42 1 6 {} {0.508478560435 0.242332031673 0.267623438054} C6 43 1 8 {} {0.584662614594 0.214305189242 0.385535145415} O7 44 1 8 {} {0.599098785843 0.215940265407 0.211374520431} O8 45 1 14 {} {0.646932515366 0.495476682499 0.459829678329} Si8 46 1 7 {} {0.63143930549 0.576557666932 0.486909376674} N4 47 1 14 {} {0.637685009546 0.604103553384 0.597205847713} Si9 48 1 14 {} {0.607553019937 0.630211733504 0.407420155593} Si10 49 1 7 {} {0.618542145255 0.611169853233 0.297846042698} N5 50 1 7 {} {0.690710289155 0.623919401088 0.63336554568} N6 51 1 1 {} {0.565916329649 0.373791164687 0.263229891972} H22 52 1 1 {} {0.62065916487 0.347168817501 0.289582684158} H23 53 1 1 {} {0.607630482119 0.279378956152 0.476696590799} H24 54 1 1 {} {0.502184034127 0.417267569788 0.418230716169} H25 55 1 1 {} {0.52008492866 0.405771693036 0.530304509985} H26 56 1 1 {} {0.504512569004 0.335382831442 0.465169797954} H27 57 1 1 {} {0.499141802557 0.189229153427 0.262966659564} H28 58 1 1 {} {0.499248273267 0.266515115533 0.204246992164} H29 59 1 1 {} {0.488056145612 0.265261408578 0.320350341731} H30 60 1 1 {} {0.587318997393 0.165958636882 0.38328830452} H31 61 1 1 {} {0.585889653281 0.211928896639 0.152654438215} H32 62 1 1 {} {0.668938910958 0.466661824913 0.540474775526} H33 63 1 1 {} {0.67866573252 0.495047499512 0.383186094113} H34 64 1 1 {} {0.610414274991 0.666364554944 0.604013428128} H35 65 1 1 {} {0.621559597285 0.551192127616 0.659240962403} H36 66 1 1 {} {0.557817016184 0.629297076108 0.415603857959} H37 67 1 1 {} {0.624481852367 0.698987471443 0.426127888792} H38 68 1 1 {} {0.602288089298 0.572421958439 0.268328928572} H39 69 1 1 {} {0.65022451852 0.614478163262 0.274034420504} H40 70 1 1 {} {0.712075781381 0.586763831693 0.651421730401} H41 71 1 1 {} {0.707654215294 0.663072660324 0.606301759456} 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