#MD System 2.0 @Title neb0_image02 @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 {} {0.205073509938 0.528757595897 0.309811694871} C1 1 1 14 {} {0.259009292739 0.491759667964 0.26809199447} Si1 2 1 14 {} {0.158359937074 0.537194117372 0.228862535672} Si2 3 1 8 {} {0.271599579525 0.524765793919 0.170255338188} O1 4 1 8 {} {0.299062359489 0.511976780867 0.338946372414} O2 5 1 6 {} {0.257053774888 0.398583119501 0.261048882532} C2 6 1 6 {} {0.126840739336 0.457467659879 0.211107595713} C3 7 1 8 {} {0.182850601737 0.562944041017 0.134528177797} O3 8 1 8 {} {0.123053002068 0.598366948709 0.255859611442} O4 9 1 14 {} {0.350501415224 0.540929520711 0.344116813057} Si3 10 1 7 {} {0.385250939285 0.478057962748 0.385752299641} N1 11 1 14 {} {0.439646864658 0.476385821906 0.344782306325} Si4 12 1 14 {} {0.364895382908 0.423838383953 0.468517351123} Si5 13 1 7 {} {0.335708837975 0.461561762839 0.553946286368} N2 14 1 7 {} {0.46162714522 0.55608554943 0.350917301317} N3 15 1 1 {} {0.193486159449 0.500104219224 0.368281350131} H1 16 1 1 {} {0.212963760511 0.57958555516 0.333958099552} H2 17 1 1 {} {0.246122242032 0.544950849533 0.139427481367} H3 18 1 1 {} {0.251896391287 0.375515891263 0.326822145862} H4 19 1 1 {} {0.288759450399 0.379502633985 0.234308781646} H5 20 1 1 {} {0.230283642162 0.381477466609 0.216345098517} H6 21 1 1 {} {0.100337689171 0.463710114683 0.161026987479} H7 22 1 1 {} {0.111298465408 0.439749728617 0.273296611972} H8 23 1 1 {} {0.149262058821 0.417676285578 0.187489563531} H9 24 1 1 {} {0.164374556438 0.58613385777 0.0913907940969} H10 25 1 1 {} {0.0946727784372 0.585962967352 0.281893370657} H11 26 1 1 {} {0.36688890716 0.56094015502 0.254267182688} H12 27 1 1 {} {0.349361551346 0.599790107172 0.405159293221} H13 28 1 1 {} {0.463659778667 0.424031397763 0.397367968198} H14 29 1 1 {} {0.441770076089 0.459076627318 0.248019874325} H15 30 1 1 {} {0.333430119804 0.374711556315 0.428258360033} H16 31 1 1 {} {0.404352869492 0.389544896172 0.507795933791} H17 32 1 1 {} {0.30409322837 0.47808029236 0.542938030878} H18 33 1 1 {} {0.35167918049 0.492039345093 0.597888145813} H19 34 1 1 {} {0.484521922923 0.571092182687 0.305069101875} H20 35 1 1 {} {0.467419097681 0.578365026087 0.410792338415} H21 36 1 6 {} {0.655105482192 0.637108814372 0.502797514489} C4 37 1 14 {} {0.615621428321 0.573251820377 0.454988702411} Si6 38 1 14 {} {0.652709334064 0.723741994126 0.457964237885} Si7 39 1 8 {} {0.613234888403 0.581587931111 0.345343823827} O5 40 1 8 {} {0.635375837086 0.49856019971 0.479206039429} O6 41 1 6 {} {0.558555012358 0.579419674564 0.504191722839} C5 42 1 6 {} {0.605162226326 0.77424694431 0.502748757648} C6 43 1 8 {} {0.648424571387 0.713007583825 0.347505365127} O7 44 1 8 {} {0.700331895104 0.765181308436 0.473545998725} O8 45 1 14 {} {0.645984584428 0.420698876259 0.45139636236} Si8 46 1 7 {} {0.600633728172 0.368397815364 0.469202988232} N4 47 1 14 {} {0.581077737727 0.319324589271 0.38093487962} Si9 48 1 14 {} {0.575968578278 0.36514635132 0.576052178329} Si10 49 1 7 {} {0.611102296345 0.383906969864 0.662546862035} N5 50 1 7 {} {0.616027619857 0.256475703388 0.343493687107} N6 51 1 1 {} {0.650994519495 0.638644601656 0.575875222589} H22 52 1 1 {} {0.689192677922 0.618407355603 0.490347612922} H23 53 1 1 {} {0.625622215082 0.623894969534 0.323449556336} H24 54 1 1 {} {0.558635291793 0.569520776337 0.576358412021} H25 55 1 1 {} {0.536560343472 0.542404513385 0.472346387818} H26 56 1 1 {} {0.544081447227 0.629343631852 0.493191266965} H27 57 1 1 {} {0.604401502435 0.824657291702 0.473287292145} H28 58 1 1 {} {0.607200592043 0.779775451719 0.575697403567} H29 59 1 1 {} {0.573100644312 0.750093982152 0.4875341628} H30 60 1 1 {} {0.656477834975 0.750372487322 0.309539104532} H31 61 1 1 {} {0.700699622557 0.800192155885 0.5182553844} H32 62 1 1 {} {0.657448843089 0.4155955009 0.354560737562} H33 63 1 1 {} {0.685110149808 0.400301905384 0.506140320953} H34 64 1 1 {} {0.539305445179 0.287360396185 0.413769389298} H35 65 1 1 {} {0.572885510427 0.362119706566 0.301397956408} H36 66 1 1 {} {0.538686405677 0.414495716448 0.582247994567} H37 67 1 1 {} {0.558755693748 0.295637341793 0.587673806573} H38 68 1 1 {} {0.61768039467 0.432483723956 0.677798081769} H39 69 1 1 {} {0.638153117699 0.354849332412 0.676045941474} H40 70 1 1 {} {0.640646820213 0.267635978646 0.299273204142} H41 71 1 1 {} {0.625556256312 0.218743656866 0.38475869063} 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