#MD System 2.0 @Title neb0_image08 @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 {} {0.22162750624 0.525667506383 0.336603893727} C1 1 1 14 {} {0.275394412902 0.488602174767 0.29466064807} Si1 2 1 14 {} {0.175007903587 0.534190497795 0.255695761837} Si2 3 1 8 {} {0.288078098946 0.521376927489 0.196703455918} O1 4 1 8 {} {0.314816781211 0.509699021163 0.366221681854} O2 5 1 6 {} {0.273630373477 0.395412508427 0.287958074767} C2 6 1 6 {} {0.143454224663 0.454494893768 0.237880329332} C3 7 1 8 {} {0.199484519691 0.560401426642 0.161488655982} O3 8 1 8 {} {0.1395792002 0.595106749887 0.282923774642} O4 9 1 14 {} {0.366418838978 0.537959731382 0.370281967785} Si3 10 1 7 {} {0.400210695051 0.473398614062 0.410926351361} N1 11 1 14 {} {0.452851865932 0.47202258739 0.363083705498} Si4 12 1 14 {} {0.380816619825 0.420083641185 0.496109869193} Si5 13 1 7 {} {0.35205967119 0.458323905458 0.581616951728} N2 14 1 7 {} {0.466611316281 0.556552186243 0.358898518614} N3 15 1 1 {} {0.210048201517 0.49708927829 0.395134020102} H1 16 1 1 {} {0.229585693443 0.576493266678 0.360716081703} H2 17 1 1 {} {0.262676328066 0.541876346045 0.166160078932} H3 18 1 1 {} {0.268424813295 0.372366028032 0.353732642742} H4 19 1 1 {} {0.305328103428 0.376353648057 0.261163574778} H5 20 1 1 {} {0.246850867641 0.378450995744 0.24318512306} H6 21 1 1 {} {0.116917420534 0.460733548511 0.18788035535} H7 22 1 1 {} {0.127878980587 0.436840882891 0.300105073413} H8 23 1 1 {} {0.165766286442 0.414537476053 0.21433833411} H9 24 1 1 {} {0.180889281286 0.583136030472 0.118260195685} H10 25 1 1 {} {0.111243513453 0.582632493252 0.308831916365} H11 26 1 1 {} {0.382745881637 0.557622060423 0.280323472691} H12 27 1 1 {} {0.366083425406 0.59681124107 0.432192553684} H13 28 1 1 {} {0.479938157149 0.425506110286 0.420467397624} H14 29 1 1 {} {0.456743077187 0.448840298327 0.268638219449} H15 30 1 1 {} {0.349383290955 0.37039955914 0.455709905923} H16 31 1 1 {} {0.420942948006 0.386475495474 0.534619955866} H17 32 1 1 {} {0.320472701132 0.475255989864 0.56999897439} H18 33 1 1 {} {0.368120810861 0.489220318261 0.625149558868} H19 34 1 1 {} {0.495927824636 0.565769441175 0.324947988629} H20 35 1 1 {} {0.465695157877 0.578898279389 0.420350656344} H21 36 1 6 {} {0.642734662381 0.641765787717 0.476206358533} C4 37 1 14 {} {0.602993164643 0.578056913925 0.433113816183} Si6 38 1 14 {} {0.636943573003 0.727760559522 0.43066883431} Si7 39 1 8 {} {0.59545169305 0.58559110217 0.32390245286} O5 40 1 8 {} {0.620586838775 0.501372112002 0.452084733783} O6 41 1 6 {} {0.548563613495 0.583632202994 0.490891936298} C5 42 1 6 {} {0.588687781415 0.777064262001 0.475760171704} C6 43 1 8 {} {0.632205796342 0.715936944939 0.32053430056} O7 44 1 8 {} {0.684226476438 0.769512413309 0.446102417829} O8 45 1 14 {} {0.629692863824 0.423186623502 0.424670206914} Si8 46 1 7 {} {0.584004397426 0.371401479909 0.442772232758} N4 47 1 14 {} {0.564506610381 0.322105065984 0.354283202635} Si9 48 1 14 {} {0.559413589725 0.368016980684 0.549468933165} Si10 49 1 7 {} {0.594999975608 0.386746706211 0.635843070753} N5 50 1 7 {} {0.599278870866 0.25946147031 0.316459655217} N6 51 1 1 {} {0.635420347347 0.641732073526 0.548331984759} H22 52 1 1 {} {0.677149957351 0.623829855756 0.46471567625} H23 53 1 1 {} {0.607948394858 0.626151464123 0.297371503119} H24 54 1 1 {} {0.548941861338 0.578460981288 0.564482256937} H25 55 1 1 {} {0.533028623977 0.538930593529 0.460019023765} H26 56 1 1 {} {0.530661048388 0.629010775902 0.47191913006} H27 57 1 1 {} {0.587910809992 0.827523887793 0.446350765893} H28 58 1 1 {} {0.590701137964 0.782788121642 0.548651458844} H29 59 1 1 {} {0.556538424618 0.753123008518 0.460589394583} H30 60 1 1 {} {0.639821359271 0.753382689974 0.282260438643} H31 61 1 1 {} {0.684247868117 0.803929524117 0.491688800023} H32 62 1 1 {} {0.640915759645 0.418446146437 0.32742591536} H33 63 1 1 {} {0.668836881002 0.402976750502 0.47954148187} H34 64 1 1 {} {0.522671483233 0.290163111633 0.387142316836} H35 65 1 1 {} {0.556261538707 0.365275381585 0.2745754922} H36 66 1 1 {} {0.522576992272 0.417515054612 0.557391964556} H37 67 1 1 {} {0.542128833537 0.298517376315 0.560885678731} H38 68 1 1 {} {0.601036129443 0.435480218736 0.651200375527} H39 69 1 1 {} {0.621923114765 0.357702777318 0.649594849455} H40 70 1 1 {} {0.624007664989 0.27057222098 0.272425314265} H41 71 1 1 {} {0.608954927367 0.221579146129 0.357522260005} 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