#MD System 2.0 @Title neb0_image03 @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 {} {0.208048160769 0.528169617239 0.313902941513} C1 1 1 14 {} {0.261633280635 0.490679377528 0.272060218837} Si1 2 1 14 {} {0.161216985351 0.536718989173 0.233117011778} Si2 3 1 8 {} {0.274149465285 0.522659456804 0.173486742414} O1 4 1 8 {} {0.301514121698 0.511510521999 0.342501060167} O2 5 1 6 {} {0.259565200573 0.397501975028 0.265838258327} C2 6 1 6 {} {0.129449473529 0.457166353726 0.215231487794} C3 7 1 8 {} {0.185564864344 0.562770134201 0.138839254184} O3 8 1 8 {} {0.125977461674 0.597607314825 0.260919088752} O4 9 1 14 {} {0.353116917078 0.540863968428 0.348659556588} Si3 10 1 7 {} {0.387687817914 0.477355129671 0.390063604505} N1 11 1 14 {} {0.441828588131 0.47544258554 0.347272155108} Si4 12 1 14 {} {0.367448457934 0.422775785908 0.473176945273} Si5 13 1 7 {} {0.338347322952 0.460937507573 0.558066226503} N2 14 1 7 {} {0.463060533812 0.55585336093 0.351996187129} N3 15 1 1 {} {0.196348269612 0.499807092721 0.372516313295} H1 16 1 1 {} {0.21590111462 0.579139250118 0.337622290462} H2 17 1 1 {} {0.248754322369 0.54396417226 0.143328373916} H3 18 1 1 {} {0.254249400027 0.374571581526 0.331559605421} H4 19 1 1 {} {0.291205785135 0.378285455037 0.239087183017} H5 20 1 1 {} {0.232791619776 0.380848180035 0.221020901609} H6 21 1 1 {} {0.10298560991 0.463647450332 0.16504089641} H7 22 1 1 {} {0.113764039758 0.43967235508 0.277446632013} H8 23 1 1 {} {0.151687583116 0.417047374778 0.191764827393} H9 24 1 1 {} {0.166961625632 0.585922117447 0.095770582682} H10 25 1 1 {} {0.0974702583406 0.585034077218 0.286410012852} H11 26 1 1 {} {0.369788463009 0.561115389701 0.258750073397} H12 27 1 1 {} {0.351882753245 0.599131636321 0.410176106959} H13 28 1 1 {} {0.466512971369 0.42353219963 0.400721894334} H14 29 1 1 {} {0.443617239258 0.456773808956 0.250961905328} H15 30 1 1 {} {0.336170334901 0.374098915191 0.432493340584} H16 31 1 1 {} {0.406928946276 0.389114128402 0.511816788055} H17 32 1 1 {} {0.306526117707 0.477138584706 0.546738835619} H18 33 1 1 {} {0.354084616213 0.491590735101 0.601845573586} H19 34 1 1 {} {0.487240493064 0.569739571729 0.307865010742} H20 35 1 1 {} {0.467485314714 0.578655684653 0.411978393825} H21 36 1 6 {} {0.653216268854 0.638321116438 0.498560758711} C4 37 1 14 {} {0.613547850063 0.574029100875 0.451771235171} Si6 38 1 14 {} {0.650457531151 0.724752451631 0.453467678883} Si7 39 1 8 {} {0.60971507221 0.582625470506 0.342189830015} O5 40 1 8 {} {0.633512348955 0.499283166524 0.47504750258} O6 41 1 6 {} {0.556868201626 0.579769808565 0.502607663157} C5 42 1 6 {} {0.602655141396 0.774899094912 0.49796009535} C6 43 1 8 {} {0.646581423983 0.713548480927 0.342924433823} O7 44 1 8 {} {0.697792245964 0.766478223224 0.469284729061} O8 45 1 14 {} {0.643451819287 0.421352094584 0.447853138363} Si8 46 1 7 {} {0.597827967617 0.369015554275 0.464399613441} N4 47 1 14 {} {0.578294677316 0.320304587491 0.377387055666} Si9 48 1 14 {} {0.573545687385 0.365650929653 0.572996681503} Si10 49 1 7 {} {0.60920986168 0.385234510971 0.659069143528} N5 50 1 7 {} {0.612501506536 0.257308629805 0.339043215217} N6 51 1 1 {} {0.649106901339 0.639714945207 0.571642994789} H22 52 1 1 {} {0.687308516679 0.61980494971 0.486138083652} H23 53 1 1 {} {0.622607244423 0.624182191686 0.319423731998} H24 54 1 1 {} {0.557326262306 0.57111009066 0.574923139288} H25 55 1 1 {} {0.535359411552 0.541546505832 0.472188543053} H26 56 1 1 {} {0.541649486594 0.629047455919 0.490077473299} H27 57 1 1 {} {0.601734972605 0.825357315901 0.468573558662} H28 58 1 1 {} {0.604796644955 0.780472867557 0.570907248097} H29 59 1 1 {} {0.570598056493 0.750672185078 0.483011332182} H30 60 1 1 {} {0.654017248771 0.750876467355 0.304895674904} H31 61 1 1 {} {0.698015355806 0.801590446571 0.514531697641} H32 62 1 1 {} {0.654827990577 0.416149834384 0.350477110264} H33 63 1 1 {} {0.682555137835 0.400705935896 0.502124004248} H34 64 1 1 {} {0.536471702966 0.288415058251 0.409983515634} H35 65 1 1 {} {0.570038160386 0.363302498901 0.297059900295} H36 66 1 1 {} {0.535669882398 0.414097816946 0.578406852453} H37 67 1 1 {} {0.556363133045 0.295757932717 0.583411676796} H38 68 1 1 {} {0.614561777599 0.431359888675 0.673110471095} H39 69 1 1 {} {0.634612805875 0.356747486789 0.671381581345} H40 70 1 1 {} {0.637686240245 0.268261155331 0.293685641876} H41 71 1 1 {} {0.622227888014 0.218714692729 0.379244809285} 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