#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 {} {0.21551476538 0.526802180683 0.326702768658} C1 1 1 14 {} {0.269454240247 0.489826333674 0.284942060385} Si1 2 1 14 {} {0.168820773772 0.535253672236 0.245704297077} Si2 3 1 8 {} {0.282041518141 0.522880464911 0.187112545645} O1 4 1 8 {} {0.309461487185 0.510161176031 0.355833024677} O2 5 1 6 {} {0.267500602918 0.39664248538 0.277902704967} C2 6 1 6 {} {0.137273938856 0.455557013764 0.227978026201} C3 7 1 8 {} {0.193341984182 0.561177152056 0.151505843308} O3 8 1 8 {} {0.133484697515 0.59633573532 0.272679769085} O4 9 1 14 {} {0.360939982973 0.539025037466 0.36098229046} Si3 10 1 7 {} {0.395523483068 0.476057280103 0.402736281866} N1 11 1 14 {} {0.449463809123 0.474007389422 0.360874886785} Si4 12 1 14 {} {0.375234725071 0.42195117317 0.485592789107} Si5 13 1 7 {} {0.346118778991 0.459706461109 0.570857101368} N2 14 1 7 {} {0.470319373528 0.554602090754 0.365218047733} N3 15 1 1 {} {0.203913686336 0.498187798112 0.385186241867} H1 16 1 1 {} {0.223368486251 0.577627318457 0.350889724068} H2 17 1 1 {} {0.256519614737 0.543025914995 0.156351340482} H3 18 1 1 {} {0.262337290885 0.37364490186 0.343725892108} H4 19 1 1 {} {0.29921078994 0.377591819563 0.251145879656} H5 20 1 1 {} {0.240717942725 0.379532897749 0.233221345235} H6 21 1 1 {} {0.110758214152 0.461771829336 0.17792409549} H7 22 1 1 {} {0.121746213752 0.43782892109 0.29018331482} H8 23 1 1 {} {0.159690963327 0.415769160465 0.204372875019} H9 24 1 1 {} {0.174826890133 0.584216796624 0.108256555275} H10 25 1 1 {} {0.105084626507 0.584047734516 0.298759311767} H11 26 1 1 {} {0.37728559642 0.558994404887 0.271155324668} H12 27 1 1 {} {0.359789018152 0.597832425525 0.422013430803} H13 28 1 1 {} {0.474110770775 0.422489032192 0.414161818761} H14 29 1 1 {} {0.452225789996 0.456984704386 0.264692950012} H15 30 1 1 {} {0.343815377644 0.372769425293 0.445137499873} H16 31 1 1 {} {0.414743816231 0.387665880947 0.524631399987} H17 32 1 1 {} {0.314541931957 0.476190011076 0.559852926349} H18 33 1 1 {} {0.362135910592 0.490092446965 0.614774083366} H19 34 1 1 {} {0.494593635699 0.569014561974 0.322155948916} H20 35 1 1 {} {0.476096221836 0.576541681761 0.425098895802} H21 36 1 6 {} {0.644786224942 0.639077443471 0.485902715862} C4 37 1 14 {} {0.605600019587 0.575324501062 0.438380785136} Si6 38 1 14 {} {0.642325678671 0.725639921013 0.4410673956} Si7 39 1 8 {} {0.602697997253 0.583522003831 0.328560834478} O5 40 1 8 {} {0.624937032646 0.500421591701 0.46228360226} O6 41 1 6 {} {0.549277346443 0.58193845998 0.488909707963} C5 42 1 6 {} {0.5947382302 0.776131096052 0.485804840814} C6 43 1 8 {} {0.638075713192 0.71486488341 0.330568068671} O7 44 1 8 {} {0.689888210512 0.767050227735 0.456790050759} O8 45 1 14 {} {0.635482694181 0.422556176226 0.434462758794} Si8 46 1 7 {} {0.590187934488 0.370359075813 0.452556849038} N4 47 1 14 {} {0.570691616672 0.321051100837 0.364080792854} Si9 48 1 14 {} {0.565386200767 0.367107035077 0.558865719849} Si10 49 1 7 {} {0.600669869334 0.38579005627 0.645666451262} N5 50 1 7 {} {0.605640949346 0.258394494787 0.326629266696} N6 51 1 1 {} {0.640538621634 0.640550144828 0.558945505546} H22 52 1 1 {} {0.67880534002 0.620305762158 0.473494055358} H23 53 1 1 {} {0.615190034343 0.625784027629 0.306608778642} H24 54 1 1 {} {0.548626861108 0.571592809839 0.56079196667} H25 55 1 1 {} {0.528338741919 0.543876209702 0.45732863715} H26 56 1 1 {} {0.534018126649 0.630992203506 0.476641588219} H27 57 1 1 {} {0.593969039825 0.82656958439 0.456406427795} H28 58 1 1 {} {0.596786460606 0.781651149139 0.558756157704} H29 59 1 1 {} {0.562661637794 0.751992879792 0.470629884994} H30 60 1 1 {} {0.646044517135 0.752305656184 0.292647783779} H31 61 1 1 {} {0.690278211792 0.802084400636 0.501376358272} H32 62 1 1 {} {0.647032296045 0.417538100963 0.337643121522} H33 63 1 1 {} {0.674680013401 0.402254362681 0.489227857436} H34 64 1 1 {} {0.528866705855 0.289215073348 0.396925937041} H35 65 1 1 {} {0.562446389743 0.364036022431 0.284541770137} H36 66 1 1 {} {0.528284111318 0.416512274076 0.565522406709} H37 67 1 1 {} {0.548285090666 0.297591435631 0.570853777792} H38 68 1 1 {} {0.607276971939 0.434456253545 0.66102941542} H39 69 1 1 {} {0.627783335458 0.356689585678 0.659198511083} H40 70 1 1 {} {0.630223656963 0.269554827608 0.282489579126} H41 71 1 1 {} {0.61514903376 0.220716813872 0.367905460428} 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