#MD System 2.0 @Title neb0_image05 @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 {} {0.213691267402 0.527278852236 0.323182613545} C1 1 1 14 {} {0.267440875776 0.489932725471 0.28182546628} Si1 2 1 14 {} {0.16704296133 0.53538179802 0.242362677537} Si2 3 1 8 {} {0.279932970208 0.521647698713 0.183116563223} O1 4 1 8 {} {0.307171450384 0.510998446897 0.352849446624} O2 5 1 6 {} {0.265511688889 0.396769569545 0.275099946634} C2 6 1 6 {} {0.135447616231 0.455729196564 0.224842217946} C3 7 1 8 {} {0.191226337041 0.561914100138 0.148267961479} O3 8 1 8 {} {0.131627667734 0.595871433581 0.270589384161} O4 9 1 14 {} {0.358683385133 0.539596220006 0.35807185019} Si3 10 1 7 {} {0.392540889244 0.47564296407 0.39911858049} N1 11 1 14 {} {0.445150345994 0.47308651073 0.35172315963} Si4 12 1 14 {} {0.373049539907 0.421887040681 0.483018031218} Si5 13 1 7 {} {0.343919337894 0.459794807594 0.568324693515} N2 14 1 7 {} {0.460011601052 0.557675450438 0.347174850231} N3 15 1 1 {} {0.202095404116 0.498660171384 0.38163731096} H1 16 1 1 {} {0.221748316974 0.578095986737 0.347102829564} H2 17 1 1 {} {0.254915640612 0.543277197123 0.152720222549} H3 18 1 1 {} {0.260270403086 0.373398371222 0.340587347518} H4 19 1 1 {} {0.297170517503 0.377467192347 0.248440441329} H5 20 1 1 {} {0.238716706255 0.380004121054 0.230255179444} H6 21 1 1 {} {0.108942364758 0.462377732643 0.174823017307} H7 22 1 1 {} {0.119799104168 0.438361352207 0.287168142678} H8 23 1 1 {} {0.157644812332 0.415637033941 0.201289947567} H9 24 1 1 {} {0.172464020029 0.584875956599 0.105188120805} H10 25 1 1 {} {0.103166117428 0.583454852725 0.2963513895} H11 26 1 1 {} {0.375051088839 0.55938419801 0.26855834166} H12 27 1 1 {} {0.357892056569 0.598163239665 0.419309169428} H13 28 1 1 {} {0.47221235329 0.425772034346 0.40852033382} H14 29 1 1 {} {0.449120906078 0.452067482773 0.257297515153} H15 30 1 1 {} {0.341750525268 0.372584808368 0.442306511776} H16 31 1 1 {} {0.412938680468 0.387906752499 0.521183476187} H17 32 1 1 {} {0.312492225522 0.476551531599 0.556677893712} H18 33 1 1 {} {0.359903763073 0.490800083844 0.611687889971} H19 34 1 1 {} {0.490803989329 0.566342742144 0.315392241317} H20 35 1 1 {} {0.462767582442 0.578811260186 0.408920084231} H21 36 1 6 {} {0.649228855076 0.639950934666 0.488798690481} C4 37 1 14 {} {0.610103425826 0.576373957087 0.445156066226} Si6 38 1 14 {} {0.644710923886 0.726078020619 0.443657755592} Si7 39 1 8 {} {0.602429553658 0.584316377064 0.335710553549} O5 40 1 8 {} {0.628115294801 0.500308343726 0.465521301235} O6 41 1 6 {} {0.556167191953 0.582882114733 0.50314103161} C5 42 1 6 {} {0.596792104798 0.775992036438 0.488896418428} C6 43 1 8 {} {0.639995135809 0.714634723288 0.333352476209} O7 44 1 8 {} {0.692162466502 0.767793566448 0.459061703713} O8 45 1 14 {} {0.637639852442 0.422217767212 0.438055131577} Si8 46 1 7 {} {0.59218815369 0.37004768956 0.455606451959} N4 47 1 14 {} {0.572769860827 0.320665697702 0.367557943752} Si9 48 1 14 {} {0.566986828111 0.366645311894 0.56137362722} Si10 49 1 7 {} {0.603054203918 0.38553405582 0.647988602129} N5 50 1 7 {} {0.606981133861 0.257752622336 0.328640876214} N6 51 1 1 {} {0.643375947037 0.640413745102 0.561397932982} H22 52 1 1 {} {0.683360183897 0.622045907919 0.476781214033} H23 53 1 1 {} {0.616282334597 0.624672228456 0.310327594372} H24 54 1 1 {} {0.554968445595 0.575370826357 0.575666438708} H25 55 1 1 {} {0.540034168573 0.538986892788 0.472068252186} H26 56 1 1 {} {0.538102191845 0.628857587478 0.484373548101} H27 57 1 1 {} {0.595917703075 0.826381703369 0.459291819417} H28 58 1 1 {} {0.598781841294 0.781620711776 0.561868220993} H29 59 1 1 {} {0.564653761811 0.751982719679 0.47380103312} H30 60 1 1 {} {0.648016524047 0.751789464035 0.295034193411} H31 61 1 1 {} {0.692377747757 0.802168181201 0.504251747808} H32 62 1 1 {} {0.648948186963 0.417448454656 0.340722471493} H33 63 1 1 {} {0.676902126854 0.402179126895 0.492736215843} H34 64 1 1 {} {0.530811514612 0.289207059862 0.400381152929} H35 65 1 1 {} {0.564372354459 0.36388978761 0.287914444357} H36 66 1 1 {} {0.529967215816 0.415751072248 0.570100094199} H37 67 1 1 {} {0.550372977283 0.296767942213 0.574022145323} H38 68 1 1 {} {0.608846229659 0.434100971814 0.664137630443} H39 69 1 1 {} {0.629656668872 0.356376901925 0.66254928419} H40 70 1 1 {} {0.631738552893 0.269143119467 0.285043150175} H41 71 1 1 {} {0.616551651799 0.219754402295 0.369836151551} 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