#MD System 2.0 @Title neb0_image09 @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 {} {0.363994261623 0.521370496522 0.423764069287} C1 1 1 14 {} {0.344957776478 0.488367945088 0.534820076186} Si1 2 1 14 {} {0.419235940484 0.563487467874 0.419578974345} Si2 3 1 8 {} {0.348196973739 0.548640139581 0.61008586642} O1 4 1 8 {} {0.292036745579 0.466379316402 0.526884798386} O2 5 1 6 {} {0.376591688102 0.412402539548 0.570214433552} C2 6 1 6 {} {0.468306831717 0.50588742869 0.41330325526} C3 7 1 8 {} {0.420833473627 0.607909423501 0.5146750504} O3 8 1 8 {} {0.419556445131 0.614375922433 0.331792314818} O4 9 1 14 {} {0.239707521037 0.471993850234 0.557492883969} Si3 10 1 7 {} {0.220056961627 0.393272643198 0.588925991091} N1 11 1 14 {} {0.184020667179 0.388917180791 0.680770608889} Si4 12 1 14 {} {0.23566206916 0.323260907588 0.524991100238} Si5 13 1 7 {} {0.236880291655 0.335627072416 0.411373873386} N2 14 1 7 {} {0.136514240461 0.437252456946 0.673589106497} N3 15 1 1 {} {0.363546069987 0.480937865844 0.373730491535} H1 16 1 1 {} {0.33906195299 0.558543097784 0.401765269874} H2 17 1 1 {} {0.37198411999 0.580772780955 0.597029465045} H3 18 1 1 {} {0.373271083066 0.371404521462 0.52171632977} H4 19 1 1 {} {0.363917188601 0.394345725188 0.634718321376} H5 20 1 1 {} {0.412303888993 0.423379837191 0.578507848324} H6 21 1 1 {} {0.500087169006 0.533536220533 0.412528495849} H7 22 1 1 {} {0.466880758442 0.475297383629 0.352331640456} H8 23 1 1 {} {0.469271318294 0.471725870953 0.470734185864} H9 24 1 1 {} {0.446091293823 0.637213975025 0.524961959485} H10 25 1 1 {} {0.447898578625 0.623185498298 0.303021308381} H11 26 1 1 {} {0.233918316544 0.51763758629 0.635507865634} H12 27 1 1 {} {0.214181990677 0.498536261883 0.479796642299} H13 28 1 1 {} {0.171128949576 0.317221894132 0.688903447523} H14 29 1 1 {} {0.207056355326 0.413256147854 0.762671257395} H15 30 1 1 {} {0.281587426181 0.301572229842 0.549900026046} H16 31 1 1 {} {0.202527595768 0.269843069876 0.545264810698} H17 32 1 1 {} {0.263313439817 0.359628764437 0.383434473379} H18 33 1 1 {} {0.208405079264 0.346292675041 0.37736713692} H19 34 1 1 {} {0.13631612769 0.484838468012 0.697371068827} H20 35 1 1 {} {0.113840615483 0.431317623656 0.623825541102} H21 36 1 6 {} {0.577967127449 0.361287815943 0.308101062333} C4 37 1 14 {} {0.573190841343 0.394857341869 0.425082316006} Si6 38 1 14 {} {0.562016213072 0.272201422581 0.29019170821} Si7 39 1 8 {} {0.601816931031 0.345784238147 0.493108561662} O5 40 1 8 {} {0.595838686867 0.469893119876 0.43010794241} O6 41 1 6 {} {0.513934623855 0.403556712003 0.461715821508} C5 42 1 6 {} {0.501113951215 0.261597218391 0.2665522509} C6 43 1 8 {} {0.577298005374 0.23357037596 0.384463958261} O7 44 1 8 {} {0.591734176623 0.235205452125 0.210303333277} O8 45 1 14 {} {0.639567906146 0.514741869217 0.458758491175} Si8 46 1 7 {} {0.62407469627 0.59582285365 0.48583818952} N4 47 1 14 {} {0.630320400326 0.623368740102 0.596134660559} Si9 48 1 14 {} {0.600188410717 0.649476920222 0.406348968439} Si10 49 1 7 {} {0.611177536035 0.630435039951 0.296774855544} N5 50 1 7 {} {0.683345679935 0.643184587806 0.632294358526} N6 51 1 1 {} {0.558551720429 0.393056351405 0.262158704818} H22 52 1 1 {} {0.61329455565 0.366434004219 0.288511497004} H23 53 1 1 {} {0.600265872899 0.29864414287 0.475625403645} H24 54 1 1 {} {0.494819424907 0.436532756506 0.417159529015} H25 55 1 1 {} {0.51272031944 0.425036879754 0.529233322831} H26 56 1 1 {} {0.497147959784 0.35464801816 0.4640986108} H27 57 1 1 {} {0.491777193337 0.208494340145 0.26189547241} H28 58 1 1 {} {0.491883664047 0.285780302251 0.20317580501} H29 59 1 1 {} {0.480691536392 0.284526595296 0.319279154577} H30 60 1 1 {} {0.579954388173 0.1852238236 0.382217117366} H31 61 1 1 {} {0.578525044061 0.231194083357 0.151583251061} H32 62 1 1 {} {0.661574301738 0.485927011631 0.539403588372} H33 63 1 1 {} {0.6713011233 0.51431268623 0.382114906959} H34 64 1 1 {} {0.603049665771 0.685629741662 0.602942240974} H35 65 1 1 {} {0.614194988065 0.570457314334 0.658169775249} H36 66 1 1 {} {0.550452406964 0.648562262826 0.414532670805} H37 67 1 1 {} {0.617117243147 0.718252658161 0.425056701638} H38 68 1 1 {} {0.594923480078 0.591687145157 0.267257741418} H39 69 1 1 {} {0.6428599093 0.63374334998 0.27296323335} H40 70 1 1 {} {0.704711172161 0.606029018411 0.650350543247} H41 71 1 1 {} {0.700289606074 0.682337847042 0.605230572302} 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