#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 {} {0.211266169614 0.527572843771 0.318690354637} C1 1 1 14 {} {0.264802758799 0.489842412683 0.277129208059} Si1 2 1 14 {} {0.164410453288 0.536098146253 0.238335399108} Si2 3 1 8 {} {0.27695388967 0.520296618891 0.177613698848} O1 4 1 8 {} {0.30428739048 0.512074977278 0.348002354161} O2 5 1 6 {} {0.26286851528 0.39667377378 0.271548415177} C2 6 1 6 {} {0.132809628987 0.456419328738 0.220841923044} C3 7 1 8 {} {0.188558273837 0.562478531715 0.144171245134} O3 8 1 8 {} {0.129087468825 0.596552940375 0.267291699682} O4 9 1 14 {} {0.355844705192 0.540404345152 0.353626506586} Si3 10 1 7 {} {0.390004847044 0.476250992219 0.394143203253} N1 11 1 14 {} {0.443024571365 0.474165028902 0.348107287702} Si4 12 1 14 {} {0.370461099324 0.422264313177 0.478087537037} Si5 13 1 7 {} {0.341315124978 0.460035405483 0.563531907927} N2 14 1 7 {} {0.460593475237 0.556392139108 0.346059843667} N3 15 1 1 {} {0.199646188773 0.499460197179 0.377549322399} H1 16 1 1 {} {0.219423672434 0.578396616616 0.342396740441} H2 17 1 1 {} {0.252032628476 0.543133798246 0.148367125538} H3 18 1 1 {} {0.257400029545 0.373361380476 0.337054222586} H4 19 1 1 {} {0.294488625846 0.377365952708 0.244718352469} H5 20 1 1 {} {0.236137222533 0.380100921276 0.226361894659} H6 21 1 1 {} {0.106353342678 0.463057659759 0.170820797471} H7 22 1 1 {} {0.117118633571 0.439299500704 0.283203764476} H8 23 1 1 {} {0.154813194212 0.416023933184 0.197517904893} H9 24 1 1 {} {0.16980017702 0.58569557205 0.101148056925} H10 25 1 1 {} {0.100615675386 0.583086668283 0.292626234577} H11 26 1 1 {} {0.372349677076 0.560538110308 0.2642746559} H12 27 1 1 {} {0.355090534919 0.598584133126 0.415720297658} H13 28 1 1 {} {0.469708752515 0.426296346815 0.403322678915} H14 29 1 1 {} {0.445092699844 0.450925518214 0.253455781339} H15 30 1 1 {} {0.339155717726 0.372655577897 0.438568009339} H16 31 1 1 {} {0.410233322573 0.38856682116 0.516964416129} H17 32 1 1 {} {0.309751626652 0.476319883525 0.552302502163} H18 33 1 1 {} {0.356957559081 0.491079717506 0.607428349156} H19 34 1 1 {} {0.488607569284 0.566945164613 0.310849273378} H20 35 1 1 {} {0.461667596059 0.58050162789 0.405895650656} H21 36 1 6 {} {0.652276157454 0.639639706363 0.493238902401} C4 37 1 14 {} {0.612390320845 0.575406868877 0.449619493068} Si6 38 1 14 {} {0.647697962926 0.726020105397 0.447555553512} Si7 39 1 8 {} {0.604482836961 0.583983231042 0.3407179601} O5 40 1 8 {} {0.632273880518 0.500232703362 0.470445529087} O6 41 1 6 {} {0.557138617228 0.580408706366 0.505408273704} C5 42 1 6 {} {0.599347374204 0.775552787887 0.491941986504} C6 43 1 8 {} {0.643979676876 0.713937642093 0.337177764363} O7 44 1 8 {} {0.694519811119 0.769267428595 0.462952091494} O8 45 1 14 {} {0.640644846865 0.421852582478 0.44254279519} Si8 46 1 7 {} {0.594719127418 0.370566514799 0.459768408989} N4 47 1 14 {} {0.574991642204 0.321246686264 0.371127122004} Si9 48 1 14 {} {0.570163746388 0.365856232434 0.566626532127} Si10 49 1 7 {} {0.605256913982 0.385042172691 0.653454731301} N5 50 1 7 {} {0.609717587351 0.258299368027 0.333183725193} N6 51 1 1 {} {0.647283436955 0.640962610589 0.566082090611} H22 52 1 1 {} {0.686866776682 0.622997319122 0.481499757924} H23 53 1 1 {} {0.618285013523 0.623847131446 0.314963225134} H24 54 1 1 {} {0.558374144438 0.575268091715 0.578242022711} H25 55 1 1 {} {0.537771451039 0.538550429508 0.477853135143} H26 56 1 1 {} {0.540033306203 0.627284817901 0.488796141412} H27 57 1 1 {} {0.598499749611 0.826108701825 0.462859419121} H28 58 1 1 {} {0.601586716538 0.781306277881 0.564822515782} H29 59 1 1 {} {0.567057989922 0.751787836231 0.477419263917} H30 60 1 1 {} {0.650749962978 0.75146834735 0.298650857967} H31 61 1 1 {} {0.694748332007 0.802588740433 0.509197934367} H32 62 1 1 {} {0.651790300131 0.416814855565 0.345526305305} H33 63 1 1 {} {0.679573513501 0.400572535611 0.4974104274} H34 64 1 1 {} {0.533274115361 0.289194070878 0.403960853192} H35 65 1 1 {} {0.566841001965 0.363956831681 0.291371789045} H36 66 1 1 {} {0.532431430697 0.414200133598 0.573907093283} H37 67 1 1 {} {0.553493702329 0.295979704026 0.577773447709} H38 68 1 1 {} {0.611570649708 0.433881352233 0.667668102598} H39 69 1 1 {} {0.632334970184 0.356353520504 0.666820377884} H40 70 1 1 {} {0.634091768304 0.268650459937 0.288318531787} H41 71 1 1 {} {0.618686130013 0.219299470862 0.37317735713} 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