#MD System 2.0 @Title neb0_image01 @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 {} {0.202485860875 0.529207733875 0.305672010425} C1 1 1 14 {} {0.256406108057 0.492196768686 0.263848546168} Si1 2 1 14 {} {0.155811029712 0.537668421669 0.224627396183} Si2 3 1 8 {} {0.269041211083 0.525355844181 0.166058691036} O1 4 1 8 {} {0.296449913108 0.51241690488 0.334778651141} O2 5 1 6 {} {0.254477426202 0.399042534499 0.256814826551} C2 6 1 6 {} {0.124271429812 0.457980887101 0.20692375108} C3 7 1 8 {} {0.180321000482 0.563454588414 0.130366594994} O3 8 1 8 {} {0.120480076925 0.598814531537 0.251617754521} O4 9 1 14 {} {0.347911183175 0.541449451816 0.339850788022} Si3 10 1 7 {} {0.38267477896 0.47851382084 0.381520817082} N1 11 1 14 {} {0.43710448337 0.476913575492 0.340704391869} Si4 12 1 14 {} {0.362285360628 0.424270248202 0.464298373568} Si5 13 1 7 {} {0.333138487484 0.46208683451 0.549719304543} N2 14 1 7 {} {0.459070425985 0.55662879053 0.346881578757} N3 15 1 1 {} {0.19090088483 0.50057289632 0.364114163491} H1 16 1 1 {} {0.210354510472 0.580018614188 0.329822443285} H2 17 1 1 {} {0.243509048071 0.545422789292 0.135290531946} H3 18 1 1 {} {0.24932599314 0.376035278307 0.32263964141} H4 19 1 1 {} {0.286197764102 0.379979847392 0.230059589418} H5 20 1 1 {} {0.227709239015 0.381920404052 0.212150107805} H6 21 1 1 {} {0.0977539500457 0.46415963725 0.156865513075} H7 22 1 1 {} {0.108737645421 0.440218257618 0.269114919781} H8 23 1 1 {} {0.14668399394 0.418161662469 0.183304203166} H9 24 1 1 {} {0.161829622255 0.586594857053 0.0872022343079} H10 25 1 1 {} {0.0920910137663 0.586463564524 0.277662952092} H11 26 1 1 {} {0.364284421036 0.561364162448 0.250067709175} H12 27 1 1 {} {0.346770598541 0.600207640815 0.400916598819} H13 28 1 1 {} {0.461079464891 0.424528828356 0.393245989708} H14 29 1 1 {} {0.439189811774 0.459620102867 0.24393700741} H15 30 1 1 {} {0.330788421801 0.37513736142 0.424064756929} H16 31 1 1 {} {0.40173281911 0.390038870019 0.503618566203} H17 32 1 1 {} {0.301519082224 0.478582208998 0.538807025343} H18 33 1 1 {} {0.349126943955 0.492487609917 0.593720586492} H19 34 1 1 {} {0.481914783621 0.571597678316 0.300918008414} H20 35 1 1 {} {0.464924322162 0.578830433588 0.40678739997} H21 36 1 6 {} {0.657678839298 0.636629681035 0.507000843346} C4 37 1 14 {} {0.618180971349 0.572837054391 0.459113846876} Si6 38 1 14 {} {0.655345387881 0.723288679571 0.462145151416} Si7 39 1 8 {} {0.615948259119 0.581057608735 0.349452112349} O5 40 1 8 {} {0.63792652054 0.498047489563 0.483430065408} O6 41 1 6 {} {0.561074515261 0.578926824589 0.508202613909} C5 42 1 6 {} {0.607748326656 0.773763422502 0.506893926564} C6 43 1 8 {} {0.651087497084 0.712509853981 0.35166885947} O7 44 1 8 {} {0.702884112446 0.764675018367 0.477824216247} O8 45 1 14 {} {0.648516895953 0.420201428484 0.455514485333} Si8 46 1 7 {} {0.603157132527 0.367995399549 0.473645061481} N4 47 1 14 {} {0.583586919418 0.318777993534 0.385129548752} Si9 48 1 14 {} {0.578512634747 0.364675639136 0.580021776247} Si10 49 1 7 {} {0.613693519778 0.383434133863 0.667084668872} N5 50 1 7 {} {0.618648719834 0.256092771481 0.347821737307} N6 51 1 1 {} {0.653562317396 0.638180910179 0.580107482057} H22 52 1 1 {} {0.691743652472 0.617880318258 0.494575387904} H23 53 1 1 {} {0.628223311887 0.623449995538 0.327616726532} H24 54 1 1 {} {0.561228309357 0.568987729257 0.58030960971} H25 55 1 1 {} {0.539003455094 0.541999611231 0.476391028819} H26 56 1 1 {} {0.546649221686 0.628879232473 0.497324973161} H27 57 1 1 {} {0.606986595551 0.824170085063 0.477491937469} H28 58 1 1 {} {0.609798775092 0.779260276065 0.579848242198} H29 59 1 1 {} {0.575674580017 0.749577127947 0.491695053627} H30 60 1 1 {} {0.659066491865 0.749933440733 0.313723245845} H31 61 1 1 {} {0.70329030317 0.799685986107 0.522444360463} H32 62 1 1 {} {0.66004812946 0.415113717641 0.358743652671} H33 63 1 1 {} {0.687703356117 0.399780015166 0.510317463088} H34 64 1 1 {} {0.541847105699 0.286792191367 0.417950994305} H35 65 1 1 {} {0.575449763411 0.361637377738 0.305502226805} H36 66 1 1 {} {0.541291566727 0.414060327699 0.586301572987} H37 67 1 1 {} {0.561301132345 0.295222643472 0.591802145755} H38 68 1 1 {} {0.620286291136 0.432039967982 0.681984813203} H39 69 1 1 {} {0.640733942952 0.354339314022 0.680171437064} H40 70 1 1 {} {0.643259637865 0.2671521295 0.303529302743} H41 71 1 1 {} {0.628186555653 0.218303920617 0.389034128561} 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