#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 {} {0.370716738655 0.582165888624 0.411420048621} C1 1 1 14 {} {0.348247816158 0.555336220248 0.522116277095} Si1 2 1 14 {} {0.43204165291 0.589495044153 0.407261368866} Si2 3 1 8 {} {0.361617093033 0.612004508651 0.598242425986} O1 4 1 8 {} {0.29319528376 0.553016863408 0.515378931315} O2 5 1 6 {} {0.367386447996 0.470077020612 0.55669554808} C2 6 1 6 {} {0.457826135311 0.504414662598 0.392562185945} C3 7 1 8 {} {0.446160298525 0.623216061739 0.505946949238} O3 8 1 8 {} {0.444089613915 0.641088073975 0.323780555398} O4 9 1 14 {} {0.242916730619 0.558126404048 0.556330221848} Si3 10 1 7 {} {0.223492483413 0.479865242414 0.59027599336} N1 11 1 14 {} {0.201264177411 0.4716990391 0.697757223281} Si4 12 1 14 {} {0.22420223312 0.412285945258 0.515094422103} Si5 13 1 7 {} {0.218129228789 0.433180423898 0.40456027156} N2 14 1 7 {} {0.150839013559 0.510672355651 0.718148900601} N3 15 1 1 {} {0.360746913435 0.546467569787 0.359125223683} H1 16 1 1 {} {0.355624561287 0.630596473775 0.394330029144} H2 17 1 1 {} {0.391535549116 0.62992682196 0.587885688993} H3 18 1 1 {} {0.358830962261 0.431437139113 0.507263780062} H4 19 1 1 {} {0.351633798553 0.456118505553 0.620310575417} H5 20 1 1 {} {0.403720973723 0.468938650424 0.567007386909} H6 21 1 1 {} {0.494002748853 0.507909617749 0.39045977382} H7 22 1 1 {} {0.446639131346 0.480773765161 0.330266283987} H8 23 1 1 {} {0.44845807491 0.469971609335 0.446207281137} H9 24 1 1 {} {0.476848381408 0.637790412293 0.511261156207} H10 25 1 1 {} {0.475042428796 0.64018034695 0.305402084868} H11 26 1 1 {} {0.241521489709 0.602436460217 0.636466815265} H12 27 1 1 {} {0.214251591144 0.586272379757 0.484384206996} H13 28 1 1 {} {0.194628462404 0.398602188081 0.712064692633} H14 29 1 1 {} {0.232867304005 0.500896165084 0.763673210025} H15 30 1 1 {} {0.267451911562 0.375661729364 0.521032903635} H16 31 1 1 {} {0.186557942629 0.367765917046 0.541798843447} H17 32 1 1 {} {0.245174467236 0.448179943359 0.368886274499} H18 33 1 1 {} {0.190213925149 0.456966348602 0.38270521029} H19 34 1 1 {} {0.150112055564 0.560330040506 0.732778386491} H20 35 1 1 {} {0.122879817918 0.49689444656 0.684402539197} H21 36 1 6 {} {0.622558741402 0.61221805681 0.351611977797} C4 37 1 14 {} {0.579727484141 0.550529609417 0.389769354501} Si6 38 1 14 {} {0.615984368613 0.700915070274 0.387463751516} Si7 39 1 8 {} {0.533540753706 0.5951614878 0.385378935788} O5 40 1 8 {} {0.576170947215 0.487118673989 0.321186213205} O6 41 1 6 {} {0.58776301935 0.51699670823 0.504253737928} C5 42 1 6 {} {0.632015763774 0.716720668828 0.505960931831} C6 43 1 8 {} {0.561352509868 0.717570922839 0.376454536093} O7 44 1 8 {} {0.642468286222 0.751227723193 0.317226503629} O8 45 1 14 {} {0.570133240594 0.42491654782 0.250376425521} Si8 46 1 7 {} {0.582499408253 0.346809877188 0.293501822865} N4 47 1 14 {} {0.538986302016 0.289783600687 0.315761266688} Si9 48 1 14 {} {0.637022683392 0.320550493559 0.317574248232} Si10 49 1 7 {} {0.67812224036 0.366508744248 0.266235013092} N5 50 1 7 {} {0.515223844933 0.246356616589 0.228735103562} N6 51 1 1 {} {0.656728852921 0.596360814196 0.366557849616} H22 52 1 1 {} {0.621179222074 0.612116189992 0.278225161122} H23 53 1 1 {} {0.539048143421 0.643663009097 0.380005189662} H24 54 1 1 {} {0.619175817981 0.489193101711 0.509223968272} H25 55 1 1 {} {0.56071362838 0.482214571674 0.521262326837} H26 56 1 1 {} {0.588275804174 0.556800488986 0.554718915889} H27 57 1 1 {} {0.626185927802 0.769354998893 0.524298763101} H28 58 1 1 {} {0.667442270688 0.705079192411 0.516711648817} H29 59 1 1 {} {0.612398502005 0.685794749523 0.55253075434} H30 60 1 1 {} {0.549244917174 0.762338804972 0.373094226987} H31 61 1 1 {} {0.659969758741 0.787103855847 0.342932161402} H32 62 1 1 {} {0.52270819964 0.422465354077 0.221863657665} H33 63 1 1 {} {0.599245832495 0.439987607511 0.172748117929} H34 64 1 1 {} {0.558829651697 0.238717030918 0.376713164479} H35 65 1 1 {} {0.5020093024 0.327239605185 0.358960447275} H36 66 1 1 {} {0.646486882891 0.326254830523 0.415071937026} H37 67 1 1 {} {0.640813177731 0.249091042804 0.289250300598} H38 68 1 1 {} {0.691689912877 0.407060617431 0.29660977839} H39 69 1 1 {} {0.681119567864 0.369315991997 0.198872248825} H40 70 1 1 {} {0.492712780563 0.26905529798 0.188019480315} H41 71 1 1 {} {0.53250715621 0.210584004011 0.195107955615} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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