#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 {} {0.215505072846 0.526801816403 0.326691173972} C1 1 1 14 {} {0.269447765938 0.489826509551 0.284922899702} Si1 2 1 14 {} {0.168811720279 0.535259589704 0.245696900957} Si2 3 1 8 {} {0.28203333471 0.522898095198 0.187091953711} O1 4 1 8 {} {0.309437489426 0.510153614927 0.355819128229} O2 5 1 6 {} {0.267487631115 0.396640840554 0.277884407954} C2 6 1 6 {} {0.137263863843 0.455561997178 0.227961291533} C3 7 1 8 {} {0.193327650547 0.561174305062 0.15148005484} O3 8 1 8 {} {0.13346762325 0.596351394188 0.272659974419} O4 9 1 14 {} {0.360925923748 0.539027222765 0.360962416697} Si3 10 1 7 {} {0.395532532278 0.476056002031 0.402696260217} N1 11 1 14 {} {0.44952028983 0.474128364848 0.360940937576} Si4 12 1 14 {} {0.375217987894 0.421948787432 0.48556367714} Si5 13 1 7 {} {0.346118543634 0.459701828336 0.570831051689} N2 14 1 7 {} {0.470416661492 0.554490429631 0.365460004572} N3 15 1 1 {} {0.203902494443 0.498190084695 0.385174934086} H1 16 1 1 {} {0.223354801168 0.577627640012 0.35087696017} H2 17 1 1 {} {0.256510373864 0.543024418533 0.156343287017} H3 18 1 1 {} {0.262326421701 0.373649640508 0.343715445451} H4 19 1 1 {} {0.299201760795 0.377598441751 0.251122430469} H5 20 1 1 {} {0.240707510175 0.379534194144 0.233199929587} H6 21 1 1 {} {0.11074930868 0.461769982537 0.177910057308} H7 22 1 1 {} {0.121736979727 0.437829443405 0.290163729552} H8 23 1 1 {} {0.159681464424 0.415769876936 0.204354348473} H9 24 1 1 {} {0.174819682644 0.584216055753 0.108240716062} H10 25 1 1 {} {0.105078827234 0.584054341203 0.298734955353} H11 26 1 1 {} {0.377277397096 0.558995028233 0.271121708902} H12 27 1 1 {} {0.359777717123 0.597841128828 0.422003010013} H13 28 1 1 {} {0.474103530033 0.422452221448 0.414168925052} H14 29 1 1 {} {0.452209161683 0.456991357828 0.264675268524} H15 30 1 1 {} {0.343800948661 0.37276399818 0.445122084419} H16 31 1 1 {} {0.414735501762 0.387665556526 0.524624830625} H17 32 1 1 {} {0.314524716392 0.476195155869 0.559835512359} H18 33 1 1 {} {0.362129953989 0.490098070086 0.614767461673} H19 34 1 1 {} {0.494649754824 0.569050584971 0.322022200744} H20 35 1 1 {} {0.476247673299 0.576560444004 0.425413657714} H21 36 1 6 {} {0.644798210696 0.639070235178 0.48591931897} C4 37 1 14 {} {0.605571146486 0.575314889916 0.438388162682} Si6 38 1 14 {} {0.642338397834 0.725650780885 0.441088414352} Si7 39 1 8 {} {0.602726917836 0.583509936154 0.328561748599} O5 40 1 8 {} {0.624939894104 0.500440441352 0.462309185585} O6 41 1 6 {} {0.549190131428 0.581794782803 0.488842951094} C5 42 1 6 {} {0.59474844411 0.776130351506 0.485818485075} C6 43 1 8 {} {0.638077514133 0.714865526972 0.330592950659} O7 44 1 8 {} {0.689903224567 0.76704128655 0.456799537375} O8 45 1 14 {} {0.635490340312 0.422528033629 0.434440737298} Si8 46 1 7 {} {0.590200569063 0.370382659076 0.452640029473} N4 47 1 14 {} {0.570696779055 0.321034850023 0.364058844177} Si9 48 1 14 {} {0.565378407303 0.367079657026 0.558799877015} Si10 49 1 7 {} {0.600740988788 0.385818306038 0.645797105962} N5 50 1 7 {} {0.605631482371 0.258423508982 0.326668363119} N6 51 1 1 {} {0.640548691997 0.640549468999 0.558975538736} H22 52 1 1 {} {0.678816766757 0.620299401619 0.473513915336} H23 53 1 1 {} {0.61520282015 0.625790737697 0.306619352679} H24 54 1 1 {} {0.548615492125 0.571592982323 0.5606080423} H25 55 1 1 {} {0.528122832873 0.543916621253 0.45714870976} H26 56 1 1 {} {0.533979938019 0.631074502217 0.476614407075} H27 57 1 1 {} {0.5939814566 0.826562207756 0.456428202248} H28 58 1 1 {} {0.596798071185 0.781647917325 0.558771523832} H29 59 1 1 {} {0.562671191341 0.751985834279 0.470644780695} H30 60 1 1 {} {0.646054661095 0.752305358108 0.292666811894} H31 61 1 1 {} {0.690288365511 0.802084651469 0.501398632045} H32 62 1 1 {} {0.647043632936 0.417534178555 0.337673505661} H33 63 1 1 {} {0.674692503662 0.402243763569 0.489248669631} H34 64 1 1 {} {0.528872670751 0.289205168968 0.396942413492} H35 65 1 1 {} {0.562456311942 0.364034231312 0.284546347431} H36 66 1 1 {} {0.528302352994 0.416502281861 0.565511741728} H37 67 1 1 {} {0.54829769016 0.297605953591 0.570860938911} H38 68 1 1 {} {0.60727966062 0.434423606915 0.661028003173} H39 69 1 1 {} {0.627764118066 0.356707046972 0.659191121957} H40 70 1 1 {} {0.630246831206 0.269551425937 0.282495921785} H41 71 1 1 {} {0.615169287337 0.220701909202 0.367940234548} 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