#MD System 2.0 @Title neb0_image03 @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 {} {0.361904261373 0.556202986049 0.413224242249} C1 1 1 14 {} {0.338532682819 0.529731140255 0.523868391191} Si1 2 1 14 {} {0.423499328916 0.566825079592 0.409001911742} Si2 3 1 8 {} {0.351818415015 0.586481437705 0.599911965876} O1 4 1 8 {} {0.283684024101 0.528387108005 0.516688213848} O2 5 1 6 {} {0.357455421036 0.444451263812 0.558615926793} C2 6 1 6 {} {0.454534156244 0.48637644921 0.394310677397} C3 7 1 8 {} {0.436504836958 0.601747210117 0.507964645339} O3 8 1 8 {} {0.436484544358 0.618399815035 0.32605391794} O4 9 1 14 {} {0.233207969593 0.532626317716 0.558191225675} Si3 10 1 7 {} {0.213685752436 0.454513565896 0.592300292244} N1 11 1 14 {} {0.191189195878 0.446176769291 0.699745983218} Si4 12 1 14 {} {0.214128579558 0.386786747636 0.517153654279} Si5 13 1 7 {} {0.208074306369 0.407853130896 0.406704681051} N2 14 1 7 {} {0.140772946317 0.485201653847 0.720046668362} N3 15 1 1 {} {0.351954950163 0.520438926598 0.360870764124} H1 16 1 1 {} {0.3463915476 0.604629846887 0.396124130738} H2 17 1 1 {} {0.381705084069 0.6047492323 0.59038865515} H3 18 1 1 {} {0.348793434981 0.405865609362 0.50926133419} H4 19 1 1 {} {0.341722601278 0.430612249904 0.622292281825} H5 20 1 1 {} {0.39377274489 0.443236481931 0.568656307508} H6 21 1 1 {} {0.490581908703 0.495950937614 0.391399675839} H7 22 1 1 {} {0.444987625228 0.462011865263 0.331353645742} H8 23 1 1 {} {0.448227766079 0.450992430579 0.448932360465} H9 24 1 1 {} {0.467398637692 0.61574660534 0.513902694085} H10 25 1 1 {} {0.468490895972 0.619213533439 0.314177144185} H11 26 1 1 {} {0.231547296986 0.576830060173 0.638475951104} H12 27 1 1 {} {0.204288944501 0.560697571685 0.486555023507} H13 28 1 1 {} {0.184493968525 0.373093263499 0.714067673809} H14 29 1 1 {} {0.222752050325 0.475330650778 0.765844122385} H15 30 1 1 {} {0.257385852283 0.350114266237 0.52303540434} H16 31 1 1 {} {0.176502924618 0.342254788751 0.543886701743} H17 32 1 1 {} {0.235054481204 0.422623490919 0.370814991575} H18 33 1 1 {} {0.180078104263 0.431407437408 0.384685554709} H19 34 1 1 {} {0.139966705682 0.534810710277 0.734919365262} H20 35 1 1 {} {0.112717183977 0.471366382329 0.68656117111} H21 36 1 6 {} {0.629050340574 0.636363642222 0.349692563827} C4 37 1 14 {} {0.585923707295 0.57404058064 0.387166826928} Si6 38 1 14 {} {0.623320233511 0.724867685656 0.386233246776} Si7 39 1 8 {} {0.53606057406 0.61092260909 0.381680696531} O5 40 1 8 {} {0.586341430501 0.509479047016 0.319979499593} O6 41 1 6 {} {0.596700487686 0.542000602272 0.50207763095} C5 42 1 6 {} {0.641380695703 0.741829061123 0.503460413223} C6 43 1 8 {} {0.568448821664 0.739704118649 0.374846159784} O7 44 1 8 {} {0.651001398205 0.774201936178 0.31631100827} O8 45 1 14 {} {0.580116746557 0.449029375739 0.247187223373} Si8 46 1 7 {} {0.592686047603 0.370893118539 0.290240127346} N4 47 1 14 {} {0.549078640864 0.314557054999 0.31359234083} Si9 48 1 14 {} {0.647251531715 0.345601296699 0.315396717573} Si10 49 1 7 {} {0.688238124004 0.391844138653 0.264141264655} N5 50 1 7 {} {0.525211943636 0.271499504049 0.226492046263} N6 51 1 1 {} {0.662474188663 0.618070039462 0.368292010776} H22 52 1 1 {} {0.628118908668 0.637134273883 0.276052419756} H23 53 1 1 {} {0.539038431769 0.659997912462 0.377302998279} H24 54 1 1 {} {0.628778556911 0.515363474988 0.505090877985} H25 55 1 1 {} {0.570520489103 0.506564916593 0.522299536243} H26 56 1 1 {} {0.597562920022 0.58257915102 0.55161255418} H27 57 1 1 {} {0.636125611832 0.794607889362 0.521653335954} H28 58 1 1 {} {0.676962164605 0.730390344656 0.512854830002} H29 59 1 1 {} {0.622366746933 0.711273813263 0.551165968059} H30 60 1 1 {} {0.557812268807 0.785463508421 0.371841689768} H31 61 1 1 {} {0.668914198125 0.809939537764 0.341348307363} H32 62 1 1 {} {0.532521358786 0.446924892527 0.218342107599} H33 63 1 1 {} {0.609366188847 0.465067920987 0.169728729443} H34 64 1 1 {} {0.568997495283 0.263796692978 0.374739053964} H35 65 1 1 {} {0.512265114444 0.352431947619 0.356808694808} H36 66 1 1 {} {0.656533140031 0.351717771939 0.412906774566} H37 67 1 1 {} {0.651117951974 0.274190781523 0.287256591239} H38 68 1 1 {} {0.701646172466 0.432544423385 0.294516580877} H39 69 1 1 {} {0.69121859587 0.394752049845 0.196844942244} H40 70 1 1 {} {0.502884064798 0.294603972447 0.18575771614} H41 71 1 1 {} {0.542595911674 0.235950185934 0.192650784271} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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