#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 {} {0.21780463578 0.526252477308 0.329939010711} C1 1 1 14 {} {0.271109237251 0.488806826864 0.288251171931} Si1 2 1 14 {} {0.171167457009 0.534939132075 0.249754335195} Si2 3 1 8 {} {0.28396357131 0.518785192707 0.188820719391} O1 4 1 8 {} {0.30877546896 0.513260260451 0.361734625802} O2 5 1 6 {} {0.270287426359 0.395634390438 0.283386113862} C2 6 1 6 {} {0.139971211336 0.455018424709 0.231597360436} C3 7 1 8 {} {0.195746497779 0.562383274847 0.156463916761} O3 8 1 8 {} {0.135555719165 0.594890653791 0.278854325433} O4 9 1 14 {} {0.360492073973 0.538039169541 0.363550130418} Si3 10 1 7 {} {0.393474864564 0.471617290465 0.399896516332} N1 11 1 14 {} {0.443909347299 0.470602984957 0.34513975357} Si4 12 1 14 {} {0.376488982402 0.420073817654 0.488935833702} Si5 13 1 7 {} {0.348480820487 0.458967491234 0.574831255713} N2 14 1 7 {} {0.451997453701 0.55523350147 0.32851422557} N3 15 1 1 {} {0.206735791623 0.498033320944 0.389039637142} H1 16 1 1 {} {0.226449796651 0.576890417098 0.353506013637} H2 17 1 1 {} {0.25936045679 0.542184499599 0.159403338653} H3 18 1 1 {} {0.264931127657 0.372408589477 0.349005145143} H4 19 1 1 {} {0.301941744957 0.376383932238 0.256560813358} H5 20 1 1 {} {0.243567245504 0.378701957184 0.238293588128} H6 21 1 1 {} {0.113400850773 0.461551246509 0.181764985578} H7 22 1 1 {} {0.124349078931 0.438068775658 0.294122795371} H8 23 1 1 {} {0.161888709753 0.414482003159 0.208373516997} H9 24 1 1 {} {0.176947497995 0.584476804607 0.112596716804} H10 25 1 1 {} {0.107332923373 0.580960348903 0.30490952857} H11 26 1 1 {} {0.376297992052 0.558486691116 0.273756332309} H12 27 1 1 {} {0.363187052614 0.596270892525 0.42650293073} H13 28 1 1 {} {0.477215125649 0.437940844467 0.404201110392} H14 29 1 1 {} {0.446947778002 0.43439706602 0.257085843724} H15 30 1 1 {} {0.345110051997 0.368753343884 0.45424482585} H16 31 1 1 {} {0.41682505484 0.38794279305 0.528280146952} H17 32 1 1 {} {0.316918257496 0.475516632064 0.564820146645} H18 33 1 1 {} {0.364045790108 0.489741665665 0.619011644925} H19 34 1 1 {} {0.484556353239 0.567353186379 0.314372328596} H20 35 1 1 {} {0.439860422598 0.586196274195 0.373834885194} H21 36 1 6 {} {0.652551385258 0.642429206248 0.482240307485} C4 37 1 14 {} {0.611412594274 0.577381123937 0.444900892384} Si6 38 1 14 {} {0.642757714081 0.728082072711 0.435713002348} Si7 39 1 8 {} {0.594862198374 0.58717980024 0.339484089523} O5 40 1 8 {} {0.630338201547 0.501210219298 0.45866917735} O6 41 1 6 {} {0.560851071744 0.581232777157 0.515451905189} C5 42 1 6 {} {0.592876181552 0.775551510993 0.480191142934} C6 43 1 8 {} {0.637799506807 0.715551463169 0.325619304259} O7 44 1 8 {} {0.688029675849 0.775255252067 0.449466905029} O8 45 1 14 {} {0.63461154429 0.42227727137 0.430872045752} Si8 46 1 7 {} {0.58780479384 0.372383621945 0.448721461489} N4 47 1 14 {} {0.567968951097 0.322029360614 0.360479747613} Si9 48 1 14 {} {0.562986957862 0.367181432229 0.554963584634} Si10 49 1 7 {} {0.598857403177 0.385971322455 0.642704054558} N5 50 1 7 {} {0.602437477241 0.25929689707 0.321725451846} N6 51 1 1 {} {0.645608049126 0.644010984548 0.554574044025} H22 52 1 1 {} {0.688359997875 0.631315031159 0.474886882553} H23 53 1 1 {} {0.608725993162 0.623943713225 0.30669253587} H24 54 1 1 {} {0.566557137999 0.58796288775 0.586462418266} H25 55 1 1 {} {0.54565727534 0.531407962541 0.503236649795} H26 56 1 1 {} {0.537551511474 0.618897914966 0.490915377032} H27 57 1 1 {} {0.591621603237 0.82619724395 0.451081140743} H28 58 1 1 {} {0.594665887235 0.782001539945 0.552995968064} H29 59 1 1 {} {0.560385876403 0.752219044765 0.465648234491} H30 60 1 1 {} {0.643414284952 0.752805632491 0.28585066958} H31 61 1 1 {} {0.687895816209 0.806252488074 0.498468208881} H32 62 1 1 {} {0.644402314278 0.416536924859 0.333182880356} H33 63 1 1 {} {0.673289499721 0.39933773675 0.484913639615} H34 64 1 1 {} {0.526175517064 0.289666872748 0.393072549635} H35 65 1 1 {} {0.55971135254 0.365073711519 0.280261140947} H36 66 1 1 {} {0.525977950272 0.41591388845 0.564777252455} H37 67 1 1 {} {0.545928687294 0.29746974005 0.566613550151} H38 68 1 1 {} {0.604332992905 0.434655513788 0.658063799923} H39 69 1 1 {} {0.625973141068 0.357554846051 0.65602139294} H40 70 1 1 {} {0.626745028342 0.26982750719 0.276702647152} H41 71 1 1 {} {0.611458501477 0.219992373321 0.360828048257} 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