#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 {} {0.223956805234 0.525252039199 0.340360898134} C1 1 1 14 {} {0.277930901088 0.488351159777 0.298680768188} Si1 2 1 14 {} {0.177306486484 0.533705001221 0.259428721404} Si2 3 1 8 {} {0.29044403988 0.521236896151 0.200690312551} O1 4 1 8 {} {0.317570895853 0.508750065809 0.369637190729} O2 5 1 6 {} {0.275948519184 0.395092223793 0.291606180819} C2 6 1 6 {} {0.145729927502 0.454009443372 0.241646230179} C3 7 1 8 {} {0.201776137943 0.559779750645 0.165194883853} O3 8 1 8 {} {0.141890698636 0.594783304534 0.286407714988} O4 9 1 14 {} {0.369080669183 0.537965107733 0.374146685088} Si3 10 1 7 {} {0.402258332874 0.473463012929 0.4169264301} N1 11 1 14 {} {0.456048639313 0.472603067983 0.370336547208} Si4 12 1 14 {} {0.383231314365 0.419546342921 0.500095132219} Si5 13 1 7 {} {0.354479674613 0.458342505931 0.584855873965} N2 14 1 7 {} {0.469210415252 0.554968404346 0.36361347485} N3 15 1 1 {} {0.212363569155 0.496637092689 0.398853661237} H1 16 1 1 {} {0.231829074253 0.576092804863 0.364549677668} H2 17 1 1 {} {0.264969474002 0.541461330513 0.170009479367} H3 18 1 1 {} {0.270782168623 0.372064499722 0.357419176571} H4 19 1 1 {} {0.307657484925 0.376012017025 0.264849505465} H5 20 1 1 {} {0.249170280438 0.377996719134 0.246909272057} H6 21 1 1 {} {0.11920663134 0.460227819242 0.191596471509} H7 22 1 1 {} {0.130198257314 0.436304613409 0.303852014232} H8 23 1 1 {} {0.168127591489 0.414193839818 0.218059838579} H9 24 1 1 {} {0.183245282493 0.582704636617 0.121927079788} H10 25 1 1 {} {0.113531075157 0.582415549815 0.312502388271} H11 26 1 1 {} {0.385382905675 0.557243310951 0.284554938104} H12 27 1 1 {} {0.36832360472 0.596182816723 0.435743245838} H13 28 1 1 {} {0.482220367979 0.422876004253 0.426003295626} H14 29 1 1 {} {0.460254546363 0.451694644448 0.273604896697} H15 30 1 1 {} {0.352141019042 0.370859145807 0.459123739195} H16 31 1 1 {} {0.423225656369 0.386069628868 0.538246153687} H17 32 1 1 {} {0.322944068852 0.474561836213 0.573566257489} H18 33 1 1 {} {0.37056621995 0.488540232698 0.62859620846} H19 34 1 1 {} {0.498582541384 0.565733644444 0.333170484642} H20 35 1 1 {} {0.471008789526 0.576725039605 0.425241490266} H21 36 1 6 {} {0.638888395202 0.642161846944 0.47232447827} C4 37 1 14 {} {0.600974277655 0.578512857364 0.426287559924} Si6 38 1 14 {} {0.634090760353 0.727712824309 0.427019661529} Si7 39 1 8 {} {0.593594048113 0.585642528203 0.317530972626} O5 40 1 8 {} {0.617061337567 0.501276447693 0.448250404075} O6 41 1 6 {} {0.545830665676 0.585832623681 0.486091394691} C5 42 1 6 {} {0.586333989957 0.777533181518 0.472090101427} C6 43 1 8 {} {0.629666471392 0.716317578201 0.31684604782} O7 44 1 8 {} {0.681553579659 0.768939205711 0.442943265348} O8 45 1 14 {} {0.627179141176 0.423680706291 0.420700032175} Si8 46 1 7 {} {0.581704496532 0.371895719452 0.438817527289} N4 47 1 14 {} {0.562213571941 0.322718265317 0.350375005376} Si9 48 1 14 {} {0.557284792368 0.368386962661 0.545868320223} Si10 49 1 7 {} {0.59265522275 0.387297885317 0.632168753454} N5 50 1 7 {} {0.597180179841 0.259920723428 0.312913504199} N6 51 1 1 {} {0.63218180825 0.641855051496 0.544531862033} H22 52 1 1 {} {0.672306823023 0.622727862845 0.460023588031} H23 53 1 1 {} {0.606149148623 0.626701104671 0.29336410698} H24 54 1 1 {} {0.543549634581 0.575738732357 0.557594429902} H25 55 1 1 {} {0.533127847457 0.541487013631 0.454779529059} H26 56 1 1 {} {0.528009010981 0.63066417792 0.465827649696} H27 57 1 1 {} {0.585568389565 0.828019266969 0.442694386719} H28 58 1 1 {} {0.588339951034 0.783201237771 0.545038332653} H29 59 1 1 {} {0.554209358679 0.753579765686 0.45696362332} H30 60 1 1 {} {0.637550535695 0.753756414065 0.278968465315} H31 61 1 1 {} {0.681826864396 0.803782332532 0.487719318323} H32 62 1 1 {} {0.638569952439 0.419079899669 0.323964144311} H33 63 1 1 {} {0.666290134727 0.403798343152 0.475605552044} H34 64 1 1 {} {0.520453578539 0.290675931455 0.383221154378} H35 65 1 1 {} {0.554003083518 0.365537903253 0.271060684056} H36 66 1 1 {} {0.520222404595 0.418036796854 0.553205440308} H37 67 1 1 {} {0.539814667158 0.299099982719 0.557125245917} H38 68 1 1 {} {0.598796309052 0.435766835229 0.647343268486} H39 69 1 1 {} {0.619373681954 0.358329664006 0.645689927827} H40 70 1 1 {} {0.621821662091 0.271093760781 0.268657273906} H41 71 1 1 {} {0.606708009022 0.222095994991 0.354196782913} 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