#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 {} {0.215709615038 0.52676140419 0.326929301471} C1 1 1 14 {} {0.269611109125 0.4897471837 0.285118395678} Si1 2 1 14 {} {0.169018852976 0.535215766975 0.246003322461} Si2 3 1 8 {} {0.28217522774 0.522613245227 0.187175333123} O1 4 1 8 {} {0.309462340453 0.510269121647 0.35604637123} O2 5 1 6 {} {0.267678448942 0.396565420104 0.278265019195} C2 6 1 6 {} {0.137441319159 0.455516431246 0.228199460854} C3 7 1 8 {} {0.193510924775 0.561268215275 0.15182332406} O3 8 1 8 {} {0.133623185696 0.596221824988 0.27308553746} O4 9 1 14 {} {0.360960014026 0.539130995972 0.36113554388} Si3 10 1 7 {} {0.395329204226 0.475714253378 0.402886251581} N1 11 1 14 {} {0.449237415103 0.474039821871 0.35983728496} Si4 12 1 14 {} {0.375277025074 0.421660180599 0.486007332146} Si5 13 1 7 {} {0.346201294513 0.459648764579 0.571396447115} N2 14 1 7 {} {0.468402278697 0.555604461069 0.361908094362} N3 15 1 1 {} {0.204081823062 0.49817641774 0.385410397321} H1 16 1 1 {} {0.223555201292 0.577608123028 0.351043964885} H2 17 1 1 {} {0.256699033717 0.542993281311 0.156553423102} H3 18 1 1 {} {0.262497855437 0.37353149998 0.344076807231} H4 19 1 1 {} {0.299389737991 0.377509560921 0.25147807653} H5 20 1 1 {} {0.240891431821 0.379547759332 0.233540671593} H6 21 1 1 {} {0.110913591852 0.461767025835 0.178176889005} H7 22 1 1 {} {0.121899753408 0.437847419004 0.290430013522} H8 23 1 1 {} {0.159820511345 0.41565918873 0.204624127027} H9 24 1 1 {} {0.174960710017 0.584222551841 0.108542688678} H10 25 1 1 {} {0.105222960752 0.583861799975 0.299142846667} H11 26 1 1 {} {0.377420303634 0.558984846919 0.271327783613} H12 27 1 1 {} {0.35999201723 0.597901220558 0.422456811205} H13 28 1 1 {} {0.474271278958 0.423127129047 0.41387382363} H14 29 1 1 {} {0.452064240725 0.455432447988 0.263290580507} H15 30 1 1 {} {0.343925062681 0.372594425411 0.445517924803} H16 31 1 1 {} {0.414962292852 0.387625939658 0.524912590839} H17 32 1 1 {} {0.314630368912 0.476187767273 0.560108363544} H18 33 1 1 {} {0.362261510197 0.490179037019 0.61518109573} H19 34 1 1 {} {0.494161816241 0.568116306509 0.320775484245} H20 35 1 1 {} {0.473031344106 0.577039528724 0.42283868763} H21 36 1 6 {} {0.645401286218 0.639518504139 0.485643208121} C4 37 1 14 {} {0.606261775522 0.575753015754 0.4390086396} Si6 38 1 14 {} {0.642241129842 0.72591371152 0.440660113241} Si7 39 1 8 {} {0.602150869278 0.583772268418 0.329238229011} O5 40 1 8 {} {0.625115204734 0.500404663788 0.461961988703} O6 41 1 6 {} {0.550216840017 0.581963179901 0.491345601502} C5 42 1 6 {} {0.59456123637 0.776148308413 0.485465979298} C6 43 1 8 {} {0.638064110824 0.714807446875 0.3302179256} O7 44 1 8 {} {0.689757662167 0.767294808298 0.456457746814} O8 45 1 14 {} {0.635383401086 0.422371587238 0.434069634789} Si8 46 1 7 {} {0.590006132573 0.370486384792 0.452594526766} N4 47 1 14 {} {0.570443444044 0.321085196318 0.363663507396} Si9 48 1 14 {} {0.565235128994 0.367026306024 0.55865612306} Si10 49 1 7 {} {0.600620233854 0.385863462327 0.645408706563} N5 50 1 7 {} {0.605405807604 0.25838082977 0.326232678793} N6 51 1 1 {} {0.640473283005 0.640556312916 0.55853242875} H22 52 1 1 {} {0.679396087435 0.620766596038 0.473327342003} H23 53 1 1 {} {0.614841221486 0.625629860507 0.306435374414} H24 54 1 1 {} {0.549777634276 0.572787865959 0.563551559007} H25 55 1 1 {} {0.53042365061 0.542462784971 0.459457036298} H26 56 1 1 {} {0.534376307461 0.63085964747 0.477434532882} H27 57 1 1 {} {0.593808272714 0.826572946892 0.456104603264} H28 58 1 1 {} {0.596633743062 0.781701911566 0.558404749002} H29 59 1 1 {} {0.562456952226 0.752077318243 0.470375681589} H30 60 1 1 {} {0.645885877568 0.752306190558 0.292292003096} H31 61 1 1 {} {0.690088371271 0.80221763219 0.501145847136} H32 62 1 1 {} {0.646848502463 0.41759635463 0.337430740502} H33 63 1 1 {} {0.674599318194 0.402280475157 0.48906236485} H34 64 1 1 {} {0.5287122536 0.289246821075 0.396714182083} H35 65 1 1 {} {0.562292602506 0.364088005719 0.284305591834} H36 66 1 1 {} {0.528131572922 0.416487845135 0.565574948011} H37 67 1 1 {} {0.548123077261 0.297638978532 0.570586796745} H38 68 1 1 {} {0.607029091702 0.434522290675 0.660796705363} H39 69 1 1 {} {0.627616803561 0.356658503994 0.65895815014} H40 70 1 1 {} {0.630044920805 0.269552103528 0.282105813978} H41 71 1 1 {} {0.614962960695 0.220612477268 0.367466954871} 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