#MD System 2.0 @Title neb0_image08 @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 {} {0.227066593948 0.524649973773 0.347080105618} C1 1 1 14 {} {0.280273279445 0.48720446423 0.305766942891} Si1 2 1 14 {} {0.181593102451 0.533186937866 0.266884047977} Si2 3 1 8 {} {0.294146720577 0.516219473016 0.206172625067} O1 4 1 8 {} {0.313638089289 0.514639733606 0.38421094829} O2 5 1 6 {} {0.280652080503 0.393654729103 0.300279540369} C2 6 1 6 {} {0.150585687564 0.453291537435 0.248874551964} C3 7 1 8 {} {0.206384225128 0.561545488243 0.173940001859} O3 8 1 8 {} {0.145943625251 0.593489886537 0.296738511001} O4 9 1 14 {} {0.364241620463 0.532395574898 0.377668537167} Si3 10 1 7 {} {0.394042480725 0.460314922747 0.407322860277} N1 11 1 14 {} {0.439979950321 0.465539939397 0.333738660145} Si4 12 1 14 {} {0.384500214258 0.412681779927 0.503862091417} Si5 13 1 7 {} {0.358400563181 0.456781292185 0.593049021259} N2 14 1 7 {} {0.423767124237 0.556594249917 0.273831797435} N3 15 1 1 {} {0.217059990238 0.496028401559 0.406208283961} H1 16 1 1 {} {0.237388774072 0.574343684704 0.370619563874} H2 17 1 1 {} {0.269785375845 0.540659521688 0.175891999576} H3 18 1 1 {} {0.275233722162 0.370160718372 0.365951796443} H4 19 1 1 {} {0.312447120683 0.374359986243 0.273532587453} H5 20 1 1 {} {0.253892792853 0.376591936406 0.254837352201} H6 21 1 1 {} {0.124066100687 0.459927854999 0.199017197163} H7 22 1 1 {} {0.135058740612 0.436732897781 0.311489857784} H8 23 1 1 {} {0.172535524372 0.412762580487 0.225942320173} H9 24 1 1 {} {0.187456267613 0.582482262874 0.130140096836} H10 25 1 1 {} {0.117973005411 0.578977852751 0.322094667823} H11 26 1 1 {} {0.376906003348 0.553856950747 0.285758208532} H12 27 1 1 {} {0.37489165535 0.591348147407 0.441866008872} H13 28 1 1 {} {0.484168289034 0.460674906848 0.394046596286} H14 29 1 1 {} {0.448150994289 0.40165385027 0.251467089064} H15 30 1 1 {} {0.354160221619 0.362414876539 0.479356143367} H16 31 1 1 {} {0.425878227816 0.386741306106 0.543716130358} H17 32 1 1 {} {0.327467318243 0.47412399345 0.583881241471} H18 33 1 1 {} {0.374098035425 0.48695227591 0.635983492521} H19 34 1 1 {} {0.458727109382 0.57119155562 0.313129419009} H20 35 1 1 {} {0.386114047481 0.59688972662 0.294052700369} H21 36 1 6 {} {0.658914246082 0.647275631267 0.465484760763} C4 37 1 14 {} {0.61645687833 0.582408382799 0.442825630875} Si6 38 1 14 {} {0.637938518966 0.730955784743 0.418911867385} Si7 39 1 8 {} {0.579801666647 0.594064804236 0.346778020657} O5 40 1 8 {} {0.63063847631 0.503643547913 0.442541090685} O6 41 1 6 {} {0.579283533974 0.579476842911 0.546909669894} C5 42 1 6 {} {0.584246601528 0.77543308584 0.462708423142} C6 43 1 8 {} {0.628685806772 0.719142811193 0.308947442024} O7 44 1 8 {} {0.679406458542 0.787652776507 0.42647050598} O8 45 1 14 {} {0.626447633575 0.421442288074 0.411311595777} Si8 46 1 7 {} {0.578492390902 0.377169766832 0.435536292117} N4 47 1 14 {} {0.556483333723 0.324211528225 0.341378485981} Si9 48 1 14 {} {0.554386225304 0.366875107169 0.539575420006} Si10 49 1 7 {} {0.58904124353 0.385256922807 0.622459714734} N5 50 1 7 {} {0.592054596221 0.259585199323 0.303504958645} N6 51 1 1 {} {0.647769502307 0.650142550127 0.536126180346} H22 52 1 1 {} {0.696101033155 0.649452916537 0.468875948344} H23 53 1 1 {} {0.592170658 0.622335902203 0.299240199181} H24 54 1 1 {} {0.585770017127 0.613105346421 0.613008746312} H25 55 1 1 {} {0.581758054155 0.52039807137 0.567711732212} H26 56 1 1 {} {0.539198383465 0.598063183339 0.503381829836} H27 57 1 1 {} {0.581787496274 0.826457381861 0.433640455376} H28 58 1 1 {} {0.584347898966 0.783586605669 0.53600926973} H29 59 1 1 {} {0.551324262067 0.752793202642 0.447511132189} H30 60 1 1 {} {0.631962500999 0.755542008051 0.265407339908} H31 61 1 1 {} {0.679073646388 0.813637987016 0.482889507236} H32 62 1 1 {} {0.633759424716 0.416397287283 0.317154452389} H33 63 1 1 {} {0.664095706161 0.397130799192 0.468082901281} H34 64 1 1 {} {0.515989912263 0.291217834446 0.376256681145} H35 65 1 1 {} {0.548944895297 0.36601241107 0.265838946833} H36 66 1 1 {} {0.517734171479 0.418498301835 0.557855058085} H37 67 1 1 {} {0.535561229567 0.298817996511 0.549859608549} H38 68 1 1 {} {0.594323656738 0.436422578584 0.642888751045} H39 69 1 1 {} {0.619050438998 0.358219833207 0.641942241458} H40 70 1 1 {} {0.61560165827 0.271889261923 0.259590134261} H41 71 1 1 {} {0.600401051708 0.22152172784 0.342790007789} 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