#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 {} {0.224126544187 0.525235456155 0.34065185268} C1 1 1 14 {} {0.277992344167 0.488245683544 0.298818264041} Si1 2 1 14 {} {0.17750451068 0.533705635443 0.259761331393} Si2 3 1 8 {} {0.29062482304 0.521073095049 0.200912902519} O1 4 1 8 {} {0.317404874691 0.509087120474 0.370215170058} O2 5 1 6 {} {0.276151261172 0.395058495072 0.291971610802} C2 6 1 6 {} {0.145933362627 0.453979632524 0.241934073674} C3 7 1 8 {} {0.201974728765 0.559835740054 0.165577271846} O3 8 1 8 {} {0.142085574425 0.594706041445 0.286777799183} O4 9 1 14 {} {0.368761089876 0.53769440244 0.374269561867} Si3 10 1 7 {} {0.402196115506 0.472926926765 0.415605991119} N1 11 1 14 {} {0.455351611619 0.472307157768 0.367921050979} Si4 12 1 14 {} {0.383169164853 0.419040951932 0.500662538475} Si5 13 1 7 {} {0.354539919469 0.458106539266 0.58568525867} N2 14 1 7 {} {0.467948137476 0.55579838546 0.361181017459} N3 15 1 1 {} {0.212564965507 0.496611691275 0.399150705669} H1 16 1 1 {} {0.232040001456 0.576040668288 0.36481430947} H2 17 1 1 {} {0.265146241516 0.54143863413 0.170264180097} H3 18 1 1 {} {0.270972137145 0.371994538398 0.357777423591} H4 19 1 1 {} {0.307856319001 0.375958910905 0.265202148689} H5 20 1 1 {} {0.249377890661 0.377987434294 0.247252284012} H6 21 1 1 {} {0.119411572014 0.460203712405 0.191919075884} H7 22 1 1 {} {0.130393941469 0.43630261611 0.304165224215} H8 23 1 1 {} {0.168313226194 0.414119656751 0.218377693202} H9 24 1 1 {} {0.183402420854 0.58271415721 0.122240088051} H10 25 1 1 {} {0.113709006096 0.582275130774 0.312908857494} H11 26 1 1 {} {0.385176765253 0.557058325067 0.2843821517} H12 27 1 1 {} {0.368604354674 0.596355580227 0.436263706055} H13 28 1 1 {} {0.482139541611 0.424812210811 0.424530412966} H14 29 1 1 {} {0.459672442387 0.448602368948 0.271703922413} H15 30 1 1 {} {0.352027994642 0.370113995303 0.459771095525} H16 31 1 1 {} {0.423423319717 0.385951164811 0.538629222691} H17 32 1 1 {} {0.322929122342 0.474631864155 0.573955225992} H18 33 1 1 {} {0.370810302799 0.488720069306 0.629283676063} H19 34 1 1 {} {0.496943368766 0.565299682365 0.329517657027} H20 35 1 1 {} {0.466069072587 0.578025719434 0.42198548247} H21 36 1 6 {} {0.64053591715 0.642939255469 0.472081175369} C4 37 1 14 {} {0.601044075484 0.578914649966 0.42936675983} Si6 38 1 14 {} {0.634278333973 0.728434905814 0.426488520211} Si7 39 1 8 {} {0.59305385647 0.585679926925 0.319422482021} O5 40 1 8 {} {0.617693022503 0.501908218424 0.447813279949} O6 41 1 6 {} {0.54734000715 0.584752790769 0.488265496672} C5 42 1 6 {} {0.586148415485 0.777486201238 0.471762315168} C6 43 1 8 {} {0.629528578384 0.716313094077 0.316428919068} O7 44 1 8 {} {0.681583775393 0.769670174424 0.442294395284} O8 45 1 14 {} {0.627190277717 0.423060325942 0.420150427013} Si8 46 1 7 {} {0.581497012493 0.371996253612 0.438884252682} N4 47 1 14 {} {0.561976576046 0.322587207442 0.350006622114} Si9 48 1 14 {} {0.557063313152 0.368371448054 0.545452123162} Si10 49 1 7 {} {0.592514826734 0.38724096609 0.63182750029} N5 50 1 7 {} {0.596974483965 0.259947945677 0.312527026688} N6 51 1 1 {} {0.632492180337 0.641893514064 0.543931153867} H22 52 1 1 {} {0.674525838943 0.623894006406 0.460299675155} H23 53 1 1 {} {0.605589237574 0.626934116543 0.292881821345} H24 54 1 1 {} {0.546023391944 0.57852014335 0.562138650929} H25 55 1 1 {} {0.534062288612 0.53881497577 0.456751577951} H26 56 1 1 {} {0.528292603464 0.630008952926 0.46728535741} H27 57 1 1 {} {0.585419288726 0.827894744728 0.442362731378} H28 58 1 1 {} {0.588171366226 0.783217092098 0.544650295688} H29 59 1 1 {} {0.554000814966 0.753601840397 0.456617537879} H30 60 1 1 {} {0.637318226986 0.753790645641 0.278422959568} H31 61 1 1 {} {0.681669172717 0.804139109765 0.487521609237} H32 62 1 1 {} {0.638392178345 0.41902053467 0.323521482689} H33 63 1 1 {} {0.666247369803 0.403644884607 0.475400196107} H34 64 1 1 {} {0.520290569985 0.290686530876 0.382922492717} H35 65 1 1 {} {0.553805408504 0.365618016776 0.270762736516} H36 66 1 1 {} {0.520276447729 0.418006578458 0.553724813556} H37 67 1 1 {} {0.539647932562 0.299051123872 0.556841560802} H38 68 1 1 {} {0.59863191729 0.435947126422 0.647206403461} H39 69 1 1 {} {0.61955630766 0.358138018654 0.645722211786} H40 70 1 1 {} {0.621600785457 0.271083268435 0.268315699252} H41 71 1 1 {} {0.606493988325 0.222075009864 0.353715613194} 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