#MD System 2.0 @Title neb0_image04 @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 {} {0.210308964108 0.527774473233 0.318241562247} C1 1 1 14 {} {0.264218719159 0.490757775791 0.276487661516} Si1 2 1 14 {} {0.163634175737 0.536219588706 0.237267500732} Si2 3 1 8 {} {0.276761267141 0.523674415949 0.178562294229} O1 4 1 8 {} {0.304198930369 0.511077234431 0.347345012316} O2 5 1 6 {} {0.262267567145 0.397589353625 0.269467153423} C2 6 1 6 {} {0.132068588431 0.456536999181 0.21957277923} C3 7 1 8 {} {0.188117692575 0.562096275913 0.142964741856} O3 8 1 8 {} {0.128282132492 0.597297128361 0.264338719716} O4 9 1 14 {} {0.355668191981 0.540002227393 0.352562444379} Si3 10 1 7 {} {0.390317317002 0.477065347722 0.394273255647} N1 11 1 14 {} {0.444591499276 0.475267993762 0.352908075245} Si4 12 1 14 {} {0.370053040658 0.422856640802 0.476996736182} Si5 13 1 7 {} {0.340910475763 0.4606377526 0.562366502664} N2 14 1 7 {} {0.466055700201 0.555270874597 0.358217408714} N3 15 1 1 {} {0.198701347667 0.499140825073 0.37670351655} H1 16 1 1 {} {0.218181143709 0.578605160752 0.342401965467} H2 17 1 1 {} {0.251304296248 0.543992527781 0.147850552884} H3 18 1 1 {} {0.257105327766 0.374549847461 0.335253198409} H4 19 1 1 {} {0.293975802955 0.378509840801 0.242735407163} H5 20 1 1 {} {0.235494314142 0.380496244609 0.224773724794} H6 21 1 1 {} {0.105563838821 0.462760230647 0.169502026566} H7 22 1 1 {} {0.116525291991 0.438809362713 0.28175834168} H8 23 1 1 {} {0.154461394304 0.416724513404 0.195951261284} H9 24 1 1 {} {0.169598593352 0.585195770436 0.0998138603792} H10 25 1 1 {} {0.0998845568705 0.584960185552 0.290336647897} H11 26 1 1 {} {0.372085381107 0.559967646013 0.26275825818} H12 27 1 1 {} {0.354569024894 0.598835743055 0.413618540049} H13 28 1 1 {} {0.46888854878 0.423291700595 0.405742455323} H14 29 1 1 {} {0.446953175291 0.457932245831 0.256275516178} H15 30 1 1 {} {0.338600858014 0.373715769399 0.436662343673} H16 31 1 1 {} {0.409552078828 0.388591135361 0.516182942726} H17 32 1 1 {} {0.309295145362 0.477138245163 0.551398225332} H18 33 1 1 {} {0.356896607247 0.491062751235 0.606335909934} H19 34 1 1 {} {0.489641832615 0.56998120048 0.313458950793} H20 35 1 1 {} {0.471878082479 0.577428573845 0.418151330168} H21 36 1 6 {} {0.649992193836 0.638144443458 0.494367478584} C4 37 1 14 {} {0.610617384176 0.574323222911 0.446647100056} Si6 38 1 14 {} {0.647521510829 0.724730731956 0.449482405939} Si7 39 1 8 {} {0.607897271625 0.582597022731 0.336999298013} O5 40 1 8 {} {0.630218917999 0.499526385528 0.47082299388} O6 41 1 6 {} {0.553821985664 0.580568156116 0.496543050882} C5 42 1 6 {} {0.599951309672 0.775210009937 0.494231397559} C6 43 1 8 {} {0.643346968036 0.713923211932 0.339040772334} O7 44 1 8 {} {0.695121900399 0.766144788603 0.465163112965} O8 45 1 14 {} {0.640739579821 0.421606750055 0.442931594698} Si8 46 1 7 {} {0.595361938198 0.369472964827 0.461044334107} N4 47 1 14 {} {0.575840412478 0.320221195178 0.372431702332} Si9 48 1 14 {} {0.570675653261 0.366089845117 0.567473441163} Si10 49 1 7 {} {0.605919059638 0.384869509988 0.654469417309} N5 50 1 7 {} {0.610833740347 0.257516905014 0.335124870657} N6 51 1 1 {} {0.645787362404 0.639596724288 0.567428292568} H22 52 1 1 {} {0.68403822596 0.619394391015 0.481926929092} H23 53 1 1 {} {0.620390786445 0.624811858233 0.315018553543} H24 54 1 1 {} {0.553666458969 0.570632180707 0.568668231333} H25 55 1 1 {} {0.532276128826 0.543085314012 0.464646301611} H26 56 1 1 {} {0.539062888537 0.630243541541 0.484974243624} H27 57 1 1 {} {0.599190934876 0.825637323297 0.464821835364} H28 58 1 1 {} {0.601999494851 0.780720068812 0.567183951817} H29 59 1 1 {} {0.567877437135 0.751069686638 0.479072768549} H30 60 1 1 {} {0.651267931702 0.751351188219 0.301057860746} H31 61 1 1 {} {0.695501757339 0.801163828949 0.509843928817} H32 62 1 1 {} {0.652253968815 0.41660056587 0.346182539501} H33 63 1 1 {} {0.67993310053 0.401256828176 0.497741571378} H34 64 1 1 {} {0.534049422313 0.288237394518 0.405291072352} H35 65 1 1 {} {0.567638903956 0.363064472259 0.292871931419} H36 66 1 1 {} {0.53348021267 0.415471130872 0.573796816272} H37 67 1 1 {} {0.553538964539 0.29662830202 0.579167279929} H38 68 1 1 {} {0.612497989976 0.433480417289 0.669333751171} H39 69 1 1 {} {0.632962219801 0.355796450505 0.667594166852} H40 70 1 1 {} {0.635442442954 0.268586757349 0.290847549242} H41 71 1 1 {} {0.620350477126 0.219715767899 0.376328762533} 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