#MD System 2.0 @Title neb0_image06 @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 {} {0.215583746698 0.526784820477 0.326777142054} C1 1 1 14 {} {0.269517878839 0.489804811592 0.285008209202} Si1 2 1 14 {} {0.168892084964 0.53523912519 0.245817321703} Si2 3 1 8 {} {0.282083480366 0.52279520723 0.187124178682} O1 4 1 8 {} {0.309439766609 0.510182190066 0.35588781785} O2 5 1 6 {} {0.267558502926 0.396612061881 0.278025531987} C2 6 1 6 {} {0.137328220357 0.455542119345 0.228048774414} C3 7 1 8 {} {0.193396413609 0.561209960427 0.151601964549} O3 8 1 8 {} {0.13352293491 0.596305520907 0.272818363198} O4 9 1 14 {} {0.360934360659 0.539084819049 0.361011234164} Si3 10 1 7 {} {0.395402137749 0.475916005941 0.402832716204} N1 11 1 14 {} {0.449474410264 0.474082231133 0.360625620325} Si4 12 1 14 {} {0.375247157169 0.421811446275 0.485701544629} Si5 13 1 7 {} {0.346149746835 0.459681749447 0.571045038263} N2 14 1 7 {} {0.469665761397 0.554924285137 0.364123403397} N3 15 1 1 {} {0.203967446028 0.498184007895 0.385263119086} H1 16 1 1 {} {0.223428606807 0.577623233993 0.350939940148} H2 17 1 1 {} {0.256582185649 0.543012069592 0.156424062334} H3 18 1 1 {} {0.262389647482 0.373605590519 0.343849162533} H4 19 1 1 {} {0.299271435756 0.377565948193 0.251253087642} H5 20 1 1 {} {0.240775120132 0.379540553601 0.23332540191} H6 21 1 1 {} {0.110809376947 0.461768864731 0.178008593897} H7 22 1 1 {} {0.121797011896 0.437836248869 0.290262453291} H8 23 1 1 {} {0.159733108617 0.415730000249 0.204454602641} H9 24 1 1 {} {0.174872386951 0.584217924102 0.108352227583} H10 25 1 1 {} {0.105132628093 0.583985659915 0.298884164237} H11 26 1 1 {} {0.377334780051 0.558991634577 0.271200484777} H12 27 1 1 {} {0.35985838756 0.597864624357 0.422175954215} H13 28 1 1 {} {0.474155573648 0.422706198743 0.414049568252} H14 29 1 1 {} {0.452163794446 0.456418888672 0.264080690696} H15 30 1 1 {} {0.343857638721 0.372723633279 0.445268511524} H16 31 1 1 {} {0.414817816202 0.387656287595 0.524726653756} H17 32 1 1 {} {0.314550049977 0.476197375785 0.559928107057} H18 33 1 1 {} {0.362185943237 0.490138125715 0.61493838801} H19 34 1 1 {} {0.494479747608 0.568697279906 0.321534703141} H20 35 1 1 {} {0.475051155293 0.576725547423 0.42450698019} H21 36 1 6 {} {0.645022663207 0.639252100664 0.485822064779} C4 37 1 14 {} {0.605870574534 0.575496801021 0.438510162503} Si6 38 1 14 {} {0.642283546299 0.725738362198 0.440919531748} Si7 39 1 8 {} {0.602516922641 0.583621609663 0.328847306536} O5 40 1 8 {} {0.6249948042 0.500404139755 0.462180111371} O6 41 1 6 {} {0.54955977684 0.581907405242 0.489752809013} C5 42 1 6 {} {0.59467918672 0.776133194887 0.485689119437} C6 43 1 8 {} {0.638073514317 0.714844161363 0.330461335694} O7 44 1 8 {} {0.68985368582 0.767122493833 0.456672818067} O8 45 1 14 {} {0.635468991454 0.422479545891 0.434305232316} Si8 46 1 7 {} {0.590116279782 0.370392082577 0.452541569708} N4 47 1 14 {} {0.570580929941 0.321114400788 0.363901330584} Si9 48 1 14 {} {0.565370892296 0.367041270221 0.558881959868} Si10 49 1 7 {} {0.600742113994 0.385858280466 0.645678353263} N5 50 1 7 {} {0.605533842228 0.258410465187 0.326499485067} N6 51 1 1 {} {0.640510151687 0.640547416338 0.558806930314} H22 52 1 1 {} {0.679009005733 0.620458046201 0.473434285723} H23 53 1 1 {} {0.615066118211 0.625709552153 0.306565025276} H24 54 1 1 {} {0.549033382968 0.572013017757 0.561785124421} H25 55 1 1 {} {0.528988895412 0.543338326139 0.457954112416} H26 56 1 1 {} {0.534129112601 0.631020459271 0.476905617093} H27 57 1 1 {} {0.593917260986 0.826566916733 0.456309700811} H28 58 1 1 {} {0.59673606155 0.781668975109 0.558635563382} H29 59 1 1 {} {0.562594879581 0.752022523023 0.470547605985} H30 60 1 1 {} {0.645992020682 0.752304049836 0.292533240407} H31 61 1 1 {} {0.690213786426 0.802134739876 0.501310243694} H32 62 1 1 {} {0.646967642229 0.417561000687 0.337597266064} H33 63 1 1 {} {0.674653025453 0.402266038888 0.489173924925} H34 64 1 1 {} {0.528819597826 0.289220975786 0.396856924832} H35 65 1 1 {} {0.562400267169 0.364034986977 0.284489028549} H36 66 1 1 {} {0.528220024053 0.416519049138 0.565527788939} H37 67 1 1 {} {0.548229987876 0.297624194246 0.570746524431} H38 68 1 1 {} {0.607173403005 0.43437267017 0.660905643376} H39 69 1 1 {} {0.627649487453 0.356746246974 0.659064574967} H40 70 1 1 {} {0.630192015568 0.269560604904 0.282315754942} H41 71 1 1 {} {0.615103571941 0.220630803645 0.367804317061} 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