#MD System 2.0 @Title neb0_image08 @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 {} {0.220482335044 0.525322202452 0.336819620958} C1 1 1 14 {} {0.273733928548 0.487544597026 0.295934959159} Si1 2 1 14 {} {0.174600999295 0.534548110149 0.256356436763} Si2 3 1 8 {} {0.287855335772 0.520935850756 0.199115953254} O1 4 1 8 {} {0.312109985824 0.507567179373 0.373683661792} O2 5 1 6 {} {0.273658649213 0.395238120913 0.288343478785} C2 6 1 6 {} {0.143293006602 0.454430482288 0.238115212792} C3 7 1 8 {} {0.199241610578 0.560492098384 0.161432620139} O3 8 1 8 {} {0.138579782232 0.595255172422 0.282193912597} O4 9 1 14 {} {0.364045050263 0.539761604211 0.374281065824} Si3 10 1 7 {} {0.398996472888 0.471617053234 0.409794607476} N1 11 1 14 {} {0.453716675791 0.478483393054 0.357230624674} Si4 12 1 14 {} {0.379353317105 0.418475654638 0.498809036659} Si5 13 1 7 {} {0.3517028462 0.461914580549 0.581484148242} N2 14 1 7 {} {0.46240011961 0.564592936714 0.361466493885} N3 15 1 1 {} {0.209515435032 0.49675303637 0.395973504435} H1 16 1 1 {} {0.229378526365 0.576157326101 0.360536082242} H2 17 1 1 {} {0.263055454295 0.541994742497 0.166883986825} H3 18 1 1 {} {0.26884914011 0.372721066465 0.354220993034} H4 19 1 1 {} {0.305617167785 0.377246589142 0.262153537524} H5 20 1 1 {} {0.247524310051 0.377487425 0.244046874117} H6 21 1 1 {} {0.116724349475 0.45978824361 0.18769533089} H7 22 1 1 {} {0.128070688644 0.436459071816 0.300693091285} H8 23 1 1 {} {0.166344856658 0.415052367153 0.214848648213} H9 24 1 1 {} {0.181365509683 0.583371711923 0.118484215038} H10 25 1 1 {} {0.110996086998 0.583143155397 0.310052351509} H11 26 1 1 {} {0.366492106152 0.554406735859 0.280066987163} H12 27 1 1 {} {0.366050997177 0.592736606745 0.430819045202} H13 28 1 1 {} {0.478040450555 0.429215841203 0.410463300523} H14 29 1 1 {} {0.452585353346 0.458435010833 0.278924994749} H15 30 1 1 {} {0.34855012277 0.367257741708 0.456989965022} H16 31 1 1 {} {0.422365913071 0.387549088 0.531184146106} H17 32 1 1 {} {0.319394190883 0.473667777734 0.568615579607} H18 33 1 1 {} {0.371105806623 0.487637975057 0.623965108566} H19 34 1 1 {} {0.499657191475 0.574047864304 0.324883518623} H20 35 1 1 {} {0.478785001578 0.552595815718 0.392144629649} H21 36 1 6 {} {0.640358481894 0.654226756233 0.477571969933} C4 37 1 14 {} {0.605499239246 0.577091389406 0.439450535789} Si6 38 1 14 {} {0.634619390824 0.73459568548 0.427171243415} Si7 39 1 8 {} {0.597023050607 0.585796236388 0.329400013108} O5 40 1 8 {} {0.622036836139 0.499138936457 0.445027344127} O6 41 1 6 {} {0.549095298357 0.582096208406 0.495536052653} C5 42 1 6 {} {0.58988842714 0.775690048628 0.475715334112} C6 43 1 8 {} {0.633884552862 0.713800089525 0.32120575108} O7 44 1 8 {} {0.681139548948 0.766876696163 0.444553212763} O8 45 1 14 {} {0.630624800376 0.418086467542 0.424768407619} Si8 46 1 7 {} {0.582626111519 0.371449024076 0.440271530749} N4 47 1 14 {} {0.565774179053 0.324377528094 0.357202056863} Si9 48 1 14 {} {0.559989354206 0.370266292796 0.550957403565} Si10 49 1 7 {} {0.595311078373 0.387114053881 0.636228267173} N5 50 1 7 {} {0.598815354724 0.260806216754 0.316757915999} N6 51 1 1 {} {0.637308634205 0.644065082554 0.551101926681} H22 52 1 1 {} {0.673181906001 0.61917149334 0.454626503466} H23 53 1 1 {} {0.607916059728 0.626893639789 0.302317102982} H24 54 1 1 {} {0.548357122055 0.5775283171 0.558315653599} H25 55 1 1 {} {0.540334999197 0.545798293025 0.470563067969} H26 56 1 1 {} {0.534335322857 0.626918547778 0.48504139551} H27 57 1 1 {} {0.589762400289 0.824399614981 0.445247503528} H28 58 1 1 {} {0.591157143552 0.781494303044 0.548105737423} H29 59 1 1 {} {0.55946278342 0.74992980518 0.45941788944} H30 60 1 1 {} {0.639476719033 0.753947958938 0.284931569817} H31 61 1 1 {} {0.684444072842 0.805615124449 0.490164609356} H32 62 1 1 {} {0.641116839934 0.418511441274 0.326216407878} H33 63 1 1 {} {0.669268587276 0.399282221032 0.477631190295} H34 64 1 1 {} {0.523382548256 0.291962636129 0.387775680589} H35 65 1 1 {} {0.555818166549 0.366351674478 0.273440637794} H36 66 1 1 {} {0.523055909721 0.416654486258 0.555938192341} H37 67 1 1 {} {0.542834355745 0.29936194885 0.55916069662} H38 68 1 1 {} {0.601057290386 0.434410202837 0.652135787367} H39 69 1 1 {} {0.62222529359 0.35727675037 0.648164675265} H40 70 1 1 {} {0.623739935101 0.270642700126 0.27210609285} H41 71 1 1 {} {0.60851729594 0.221770909712 0.356881033417} 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